≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
(ν0,ν1ν2ν3)
Source ID

13628 materials founds

▹ Formula ▹ Source ▹ ID ▹ space group ▹ centered ▹ nat ▹ ne ▹ dim ▴ gap ▹ dir. gap ▹ met. ▹ ν wcc ▹ updated
Ag2S ICSD 98453 P2_1 (4) ✗ 6 56 1 0.0 0.113 0.106 (1;000) ✔ 04/10/16
Al8Mo3 ICSD 58001 C2/m (12) ✔ 11 66 3 0.0 0.000 0.060 (0;000) ✔ 04/10/16
Y3InC ICSD 80955 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.099 (1;000) ✗ 27/01/17
NbAs2 ICSD 18143 C2 (5) ✗ 6 46 3 0.0 0.010 0.093 (0;111) ✔ 04/10/16
Te3As2 ICSD 41040 R3m (160) ✗ 5 28 0 0.0 0.025 0.069 (1;000) ✔ 04/10/16
MoBr3 ICSD 413690 C2mm (38) ✗ 8 70 1 0.0 0.001 0.433 (0;011) ✔ 04/10/16
MoO2 ICSD 108875 P2_1 (4) ✗ 6 52 3 0.0 0.114 0.261 (0;100) ✔ 04/10/16
AlAu ICSD 104649 P2_1/m (11) ✔ 8 56 3 0.0 0.126 0.308 (1;000) ✔ 06/10/16
NiAs2 ICSD 42116 Pmnn (58) ✔ 6 40 3 0.0 0.031 0.445 (1;000) ✗ 06/10/16
InAgSe2 ICSD 28751 I-42d (122) ✗ 8 72 3 0.0 0.034 0.023 (1;000) ✔ 07/10/16
YMgAl ICSD 160908 P-62m (189) ✗ 9 72 3 0.0 0.002 0.313 (0;000) ✔ 28/10/16
TlAgTe2 ICSD 43284 I-4m2 (119) ✗ 4 36 3 0.0 0.011 0.932 (1;111) ✔ 07/10/16
YAlNi ICSD 160935 P-62m (189) ✗ 9 72 3 0.0 0.000 0.901 ? ✗ 06/10/16
YAlNi ICSD 608947 P-62m (189) ✗ 9 72 3 0.0 0.000 0.898 ? ✗ 06/10/16
CaAs3 ICSD 193 P-1 (2) ✔ 8 50 1 0.0 0.060 0.008 (1;100) ✗ 06/10/16
YBi ICSD 617246 Fm-3m (225) ✔ 2 26 3 0.0 0.023 0.249 (1;000) ✗ 05/01/17
YAlNi ICSD 608957 P-62m (189) ✗ 9 72 3 0.0 0.000 0.898 ? ✗ 06/10/16
AlPO4 ICSD 162670 I-4m2 (119) ✗ 6 32 1 0.0 0.004 0.252 (1;111) ✔ 07/10/16
Ni3GeC ICSD 77001 Pm-3m (221) ✔ 5 38 3 0.0 0.016 0.341 (0;111) ✗ 27/01/17
Cu3AsSe4 ICSD 610361 I-42m (121) ✗ 8 62 3 0.0 0.006 0.229 (1;000) ✔ 07/10/16
SrAs3 ICSD 611440 P-1 (2) ✔ 8 50 3 0.0 0.022 0.192 (1;101) ✗ 05/01/17
CdSnAs2 ICSD 16737 I-42d (122) ✗ 8 72 3 0.0 0.046 0.008 (1;000) ✔ 07/10/16
Ta2GaC ICSD 617926 P6_3/mmc (194) ✔ 8 86 3 0.0 0.000 0.886 (1;000) ✗ 27/01/17
Mo5As4 ICSD 43186 I4/m (87) ✔ 9 90 3 0.0 0.006 0.602 (1;000) ✗ 06/10/16
ZnSnAs2 ICSD 18203 I-42d (122) ✗ 8 72 3 0.0 0.013 0.004 (1;000) ✔ 07/10/16
AlBi ICSD 184567 F-43m (216) ✗ 2 8 3 0.0 0.000 0.091 (1;000) ✔ 06/10/16
IrF4 ICSD 23483 F2dd (43) ✗ 10 74 3 0.0 0.000 0.301 (1;000) ✔ 06/10/16
BaAu ICSD 419559 Pmnb (62) ✔ 8 84 3 0.0 0.005 0.453 (1;011) ✗ 06/10/16
BaGe3Pd ICSD 174261 I4mm (107) ✗ 5 32 3 0.0 0.018 0.403 (1;111) ✔ 07/10/16
BaGe3Pt ICSD 174262 I4mm (107) ✗ 5 32 3 0.0 0.014 0.403 (1;011) ✔ 07/10/16
Fe3C COD 9016182 Pnma (62) ✔ 16 112 3 0.0 0.011 0.285 (1;000) ✗ 27/01/17
Fe3C COD 1010931 Pnma (62) ✔ 16 112 3 0.0 0.001 0.476 (1;000) ✗ 27/01/17
Fe3C ICSD 29341 Pnma (62) ✔ 16 112 3 0.0 0.005 0.194 (1;000) ✗ 27/01/17
Fe3C ICSD 167667 Pnma (62) ✔ 16 112 3 0.0 0.003 0.486 (0;000) ✗ 27/01/17
Y2Fe2Si2C ICSD 617825 C2/m (12) ✔ 7 50 3 0.0 0.038 0.222 (1;000) ✗ 27/01/17
Fe2C ICSD 87128 Pnnm (58) ✔ 6 40 3 0.0 0.005 0.565 (0;110) ✗ 27/01/17
CuAu COD 1510113 P4/mmm (123) ✔ 2 22 3 0.0 0.034 0.659 (0;001) ✗ 05/01/17
CaAu ICSD 54978 Cmcm (63) ✔ 4 42 1 0.0 0.000 0.634 (0;000) ✗ 05/01/17
Zr2Cd ICSD 620613 I4/mmm (139) ✔ 3 20 3 0.0 0.011 0.205 (0;111) ✗ 27/01/17
V3Cd ICSD 620584 Pm-3n (223) ✔ 8 102 3 0.0 0.000 0.915 (0;000) ✗ 27/01/17
TiCd COD 1525204 P4/nmm (129) ✔ 4 48 3 0.0 0.053 0.181 (1;001) ✗ 27/01/17
Ti2Cd COD 1525205 I4/mmm (139) ✔ 3 36 3 0.0 0.003 0.217 (1;111) ✗ 27/01/17
CdTe COD 1010536 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.275 (1;000) ✗ 27/01/17
SrCd COD 2310286 Pm-3m (221) ✔ 2 22 1 0.0 0.000 0.565 (1;000) ✗ 27/01/17
BaSi3Pd ICSD 174266 I4mm (107) ✗ 5 32 3 0.0 0.017 0.443 (0;001) ✔ 07/10/16
BaSn3Pd ICSD 58673 I4mm (107) ✗ 5 62 3 0.0 0.011 0.382 (0;110) ✔ 07/10/16
TaCdS2 ICSD 620350 P6_3/mmc (194) ✔ 8 74 3 0.0 0.000 0.698 (1;000) ✗ 27/01/17
CdPt3 ICSD 24931 Cmmm (65) ✔ 4 42 3 0.0 0.014 0.848 (1;111) ✗ 27/01/17
ZnCdPt2 COD 1524674 P4/mmm (123) ✔ 4 44 3 0.0 0.013 0.693 (1;000) ✗ 27/01/17
BaSi3Pt ICSD 174267 I4mm (107) ✗ 5 32 3 0.0 0.002 0.442 (0;001) ✔ 07/10/16
BaSn3Pt ICSD 58677 I4mm (107) ✗ 5 62 3 0.0 0.050 0.352 (0;111) ✔ 07/10/16
CdAu ICSD 151398 Pmmb (51) ✔ 4 46 3 0.0 0.000 0.867 (1;000) ✗ 06/10/16
BeSiSb2 ICSD 237068 I-42d (122) ✗ 8 36 3 0.0 0.476 0.018 (0;000) ✔ 07/10/16
GaAu ICSD 58457 Pmnb (62) ✔ 8 96 3 0.0 0.094 0.370 (1;000) ✗ 06/10/16
Cd(PtO2)3 ICSD 35407 Cmmm (65) ✔ 10 78 3 0.0 0.262 0.070 (0;000) ✗ 27/01/17
V2CdO4 COD 9012330 Fd-3m (227) ✔ 14 124 3 0.0 0.009 0.528 (0;000) ✗ 27/01/17
LaAu ICSD 612099 Ccmm (63) ✔ 4 28 3 0.0 0.013 0.464 (1;000) ✗ 06/10/16
AuN2 ICSD 166465 Pmnn (58) ✔ 6 42 2 0.0 0.000 0.791 (0;101) ✗ 06/10/16
Ca(BC)2 ICSD 166515 P4_2/mmc (131) ✔ 10 48 2 0.0 0.003 0.249 (1;000) ✗ 27/01/17
CdPd3O4 COD 1008076 Pm-3n (223) ✔ 16 180 3 0.0 0.000 0.125 (1;000) ✗ 27/01/17
YAlPd ICSD 156923 P-62m (189) ✗ 9 72 3 0.0 0.000 0.900 ? ✗ 06/10/16
CaSi3Pt ICSD 180963 I4mm (107) ✗ 5 32 3 0.0 0.023 0.403 (0;111) ✔ 07/10/16
CrCdTe2 ICSD 181054 P-4m2 (115) ✗ 4 38 3 0.0 0.003 0.433 (1;101) ✔ 07/10/16
TiAu ICSD 612407 Pmma (51) ✔ 4 46 3 0.0 0.000 0.734 (0;101) ✗ 05/01/17
Cd(N2O3)2 COD 9014750 Pm3 (200) ✔ 11 68 3 0.0 0.007 0.558 (0;111) ✗ 27/01/17
YAu ICSD 169022 Cmcm (63) ✔ 4 44 3 0.0 0.182 0.510 (0;110) ✗ 05/01/17
CdSnSb2 ICSD 44259 I-42d (122) ✗ 8 72 3 0.0 0.043 0.033 (1;000) ✔ 07/10/16
MoP2 ICSD 37222 Ccm2_1 (36) ✗ 6 48 3 0.0 0.301 0.230 (1;000) ✔ 04/10/16
Mn2CdO4 ICSD 24258 I4_1/amd (141) ✔ 14 132 3 0.0 0.012 0.586 (1;111) ✗ 27/01/17
Se ICSD 52418 Pm-3m (221) ✔ 1 6 3 0.0 0.000 0.695 (0;000) ✗ 27/01/17
MgCd COD 2310317 Pmma (51) ✔ 4 44 3 0.0 0.023 0.371 (0;100) ✗ 27/01/17
FeGe ICSD 43055 C2/m (12) ✔ 8 48 3 0.0 0.008 0.869 (1;011) ✔ 06/10/16
LiCd ICSD 102008 Fd-3m (227) ✔ 4 30 3 0.0 0.000 0.838 (0;000) ✗ 27/01/17
VAu2 ICSD 58614 Ccmm (63) ✔ 6 70 3 0.0 0.000 0.838 (0;000) ✗ 06/10/16
Li2CdPb COD 1525238 Fm-3m (225) ✔ 4 32 3 0.0 0.000 0.584 (0;000) ✗ 27/01/17
HfAu3 ICSD 611955 Pmmn (59) ✔ 8 90 3 0.0 0.000 0.820 (1;000) ✗ 05/01/17
KCoO2 ICSD 4199 I-42d (122) ✗ 8 60 3 0.0 0.000 0.160 (0;000) ✔ 07/10/16
FeCuSe2 ICSD 656334 P222 (16) ✗ 8 62 3 0.0 0.005 0.783 (0;011) ✔ 07/10/16
TiCdHg2 ICSD 58987 P4/mmm (123) ✔ 4 48 3 0.0 0.011 0.583 (0;000) ✗ 27/01/17
FeCuSe2 ICSD 73376 P2 (3) ✗ 8 62 3 0.0 0.005 0.783 (0;011) ✔ 07/10/16
InCuSe2 ICSD 154405 I-42d (122) ✗ 8 72 3 0.0 0.018 0.011 (1;000) ✔ 07/10/16
YAu3 ICSD 612464 Pmmn (59) ✔ 8 88 3 0.0 0.008 0.601 (1;000) ✗ 05/01/17
InCuTe2 ICSD 169048 I-42d (122) ✗ 8 72 3 0.0 0.018 0.004 (1;000) ✔ 07/10/16
ZrAu3 ICSD 612509 Pmmn (59) ✔ 8 74 3 0.0 0.000 0.803 (1;000) ✗ 05/01/17
Zr6Al2Fe ICSD 402701 P-62m (189) ✗ 9 38 3 0.0 0.000 0.867 (1;100) ✔ 06/10/16
TlCuS2 ICSD 28742 I-42d (122) ✗ 8 72 3 0.0 0.014 0.072 (1;000) ✔ 07/10/16
TlCuSe2 ICSD 28743 I-42d (122) ✗ 8 72 3 0.0 0.014 0.004 (1;000) ✔ 07/10/16
Hf6Al2Pt ICSD 261007 P-62m (189) ✗ 9 88 3 0.0 0.000 0.878 ? ✗ 06/10/16
FeS ICSD 68847 Cmc2_1 (36) ✗ 4 28 3 0.0 0.028 0.242 (0;000) ✔ 06/10/16
VCu3O4 ICSD 418372 I-42m (121) ✗ 8 70 3 0.0 0.031 0.057 (0;000) ✔ 07/10/16
Cu3SbS4 ICSD 2857 I-42m (121) ✗ 8 62 3 0.0 0.038 0.105 (1;000) ✔ 07/10/16
Cu3SbSe4 ICSD 400652 I-42m (121) ✗ 8 62 3 0.0 0.005 0.232 (1;000) ✔ 07/10/16
Ga2FeSe4 ICSD 631817 P-42m (111) ✗ 7 58 3 0.0 0.005 0.476 (1;010) ✔ 07/10/16
LiFeP ICSD 187135 I4mm (107) ✗ 3 16 3 0.0 1.023 0.012 (0;000) ✔ 07/10/16
Hf2GaSb3 ICSD 189076 P-4m2 (115) ✗ 6 52 3 0.0 0.015 0.794 (0;100) ✔ 07/10/16
Co2B ICSD 30447 I4/mcm (140) ✔ 6 42 3 0.0 0.000 0.495 (1;111) ✗ 06/10/16
SrGe3Pd ICSD 168862 I4mm (107) ✗ 5 32 3 0.0 0.031 0.400 (0;111) ✔ 07/10/16
SrGe3Pt ICSD 168863 I4mm (107) ✗ 5 32 3 0.0 0.011 0.394 (1;000) ✔ 07/10/16
CdCuF4 COD 4030528 I4/mcm (140) ✔ 12 102 3 0.0 0.003 0.620 (0;000) ✗ 27/01/17
FeSb2 ICSD 15003 P2nn (34) ✗ 6 36 3 0.0 0.112 0.057 (0;000) ✔ 06/10/16
CdCu2 ICSD 58955 P6_3/mmc (194) ✔ 12 136 3 0.0 0.001 0.714 (1;000) ✗ 27/01/17
CrB ICSD 30603 Cmcm (63) ✔ 4 34 3 0.0 0.000 0.833 (0;110) ✗ 06/10/16
FeB ICSD 613898 Cmcm (63) ✔ 4 22 3 0.0 0.000 0.669 (0;000) ✗ 05/01/17
Zr6Al2Ni ICSD 160911 P-62m (189) ✗ 9 40 3 0.0 0.000 0.822 ? ✗ 06/10/16
CrCdF6 COD 1525283 R-3 (148) ✔ 8 68 3 0.0 0.029 0.188 (0;000) ✗ 27/01/17
Al2ZnS4 ICSD 609280 R3m (160) ✗ 7 42 2 0.0 0.304 0.367 (0;000) ✔ 06/10/16
YSi3Ir ICSD 641038 I4mm (107) ✗ 5 32 3 0.0 0.025 0.356 (0;111) ✔ 07/10/16
KMnTe2 ICSD 87983 I-4m2 (119) ✗ 4 36 2 0.0 0.002 0.598 (1;110) ✔ 07/10/16
KSnSe2 ICSD 153907 I4cm (108) ✗ 8 70 1 0.0 0.000 0.296 (1;111) ✔ 07/10/16
Fe2B ICSD 30446 I4/mcm (140) ✔ 6 38 3 0.0 0.001 0.527 (1;000) ✗ 06/10/16
ZrCd3 COD 2106135 P4/mmm (123) ✔ 4 40 3 0.0 0.000 0.628 (1;111) ✗ 27/01/17
Ga4Bi3As ICSD 182810 P-43m (215) ✗ 8 72 3 0.0 0.000 0.418 (1;000) ✔ 06/10/16
MnAl ICSD 608581 Pm-3m (221) ✔ 2 18 3 0.0 0.001 0.693 (1;111) ✗ 05/01/17
Ga2BiAs ICSD 182809 P-4m2 (115) ✗ 4 36 3 0.0 0.017 0.170 (0;111) ✔ 06/10/16
SrCd2 COD 1524728 Imma (74) ✔ 6 68 3 0.0 0.012 0.472 (0;111) ✗ 27/01/17
Ga4BiAs3 ICSD 182808 P-43m (215) ✗ 8 72 3 0.0 0.000 0.240 (1;000) ✔ 06/10/16
RbMnSe2 ICSD 50819 I-4m2 (119) ✗ 4 36 2 0.0 0.003 0.529 (1;100) ✔ 07/10/16
FeTe2 ICSD 42727 P2nn (34) ✗ 6 40 3 0.0 0.598 0.025 (0;000) ✔ 06/10/16
LiB ICSD 236961 Pbmm (51) ✔ 8 24 2 0.0 0.004 0.395 (0;001) ✗ 06/10/16
RbMnTe2 ICSD 87984 I-4m2 (119) ✗ 4 36 2 0.0 0.003 0.593 (1;010) ✔ 07/10/16
BMo ICSD 191907 Cmcm (63) ✔ 4 34 3 0.0 0.000 0.777 (0;110) ✗ 06/10/16
SrSi3Ni ICSD 174268 I4mm (107) ✗ 5 32 3 0.0 0.039 0.440 (0;111) ✔ 07/10/16
Sr(CdGe)2 ICSD 25331 I4/mmm (139) ✔ 5 42 3 0.0 0.013 0.384 (1;111) ✗ 27/01/17
Fe3Se4 ICSD 15043 C2/m (12) ✔ 7 48 3 0.0 0.011 0.357 (0;000) ✔ 06/10/16
CoNiAs ICSD 610094 P-62m (189) ✗ 9 72 3 0.0 0.000 0.345 ? ✗ 06/10/16
ZnSnSb2 ICSD 42669 I-42d (122) ✗ 8 72 3 0.0 0.007 0.020 (1;000) ✔ 07/10/16
CoAsS ICSD 36395 P2_1 (4) ✗ 6 40 3 0.0 0.596 0.136 (0;000) ✔ 06/10/16
CrCl2 COD 2310476 Pnnm (58) ✔ 6 56 3 0.0 0.004 0.395 (0;000) ✗ 27/01/17
Cu2Cl2O COD 9004694 Fddd (70) ✔ 10 84 3 0.0 0.029 0.430 (1;111) ✗ 27/01/17
CrWN2 ICSD 84639 R3m (160) ✗ 4 38 3 0.0 0.022 1.000 (1;110) ✔ 05/12/16
NbB ICSD 191899 Cmcm (63) ✔ 4 32 3 0.0 0.026 0.365 (1;000) ✗ 06/10/16
CoBiO3 ICSD 247466 P4mm (99) ✗ 5 50 2 0.0 0.014 0.494 (1;000) ✔ 29/11/16
MoBr3 ICSD 9422 Cm2m (38) ✗ 8 70 1 0.0 0.011 0.407 (0;110) ✔ 04/10/16
MoP4 ICSD 105057 C2/c (15) ✔ 10 68 2 0.0 0.019 0.126 (1;000) ✔ 04/10/16
Be5Pt ICSD 616395 F-43m (216) ✗ 6 30 1 0.0 0.584 0.071 (0;000) ✔ 06/10/16
GaN ICSD 159250 P6_3mc (186) ✗ 4 36 2 0.0 0.015 0.236 (1;000) ✔ 06/10/16
NiB ICSD 26937 Ccmm (63) ✔ 4 26 3 0.0 0.000 0.399 (0;110) ✗ 06/10/16
Hg(NCl)2 COD 9008060 Cmmm (65) ✔ 5 36 2 0.0 0.000 0.623 (0;001) ✗ 27/01/17
CoAsS ICSD 41857 Pca2_1 (29) ✗ 12 80 3 0.0 0.001 0.519 ? ✗ 06/10/16
HgCl2 COD 9008046 Pbam (55) ✔ 12 104 3 0.0 0.078 0.630 (1;000) ✗ 27/01/17
BPd2 ICSD 10487 Pmnn (58) ✔ 6 46 3 0.0 0.000 0.880 (0;101) ✗ 06/10/16
Re3B ICSD 191913 Cmcm (63) ✔ 8 96 3 0.0 0.022 0.653 (1;000) ✗ 06/10/16
Ni(ClO4)2 ICSD 33289 R-3 (148) ✔ 11 72 2 0.0 0.018 0.403 (0;000) ✗ 27/01/17
NiCl2 COD 9009132 R-3m (166) ✔ 3 24 2 0.0 0.010 0.603 (0;000) ✗ 27/01/17
OsCl2O ICSD 83884 Immm (71) ✔ 4 36 2 0.0 0.081 0.959 (0;000) ✗ 27/01/17
CrAsRh ICSD 43919 P-62m (189) ✗ 9 108 3 0.0 0.013 0.453 (1;000) ✔ 05/12/16
RuCl2O ICSD 83883 Immm (71) ✔ 4 36 2 0.0 0.038 0.984 (0;000) ✗ 27/01/17
CrAsRh ICSD 601513 P-62m (189) ✗ 9 108 3 0.0 0.011 0.483 ? ✗ 06/10/16
BRh ICSD 150732 Cmcm (63) ✔ 4 40 3 0.0 0.061 0.223 (1;000) ✗ 27/01/17
TiCl2 COD 9009121 P-3m1 (164) ✔ 3 26 2 0.0 0.003 0.554 (0;000) ✗ 27/01/17
CrAsRh ICSD 610256 P-62m (189) ✗ 9 108 3 0.0 0.013 0.459 (1;000) ✔ 05/12/16
CrCl3 ICSD 22080 C2/m (12) ✔ 8 70 2 0.0 0.028 0.272 (0;000) ✗ 27/01/17
CsHgCl3 COD 1010121 Pm-3m (221) ✔ 5 42 3 0.0 0.397 0.385 (0;000) ✗ 27/01/17
AgF COD 9008598 Fm-3m (225) ✔ 2 18 3 0.0 0.869 0.118 (0;000) ✗ 05/01/17
GaAg COD 1509342 Pm-3m (221) ✔ 2 24 3 0.0 0.101 0.607 (0;111) ✗ 05/01/17
FeCl3 COD 9012000 R-3 (148) ✔ 8 58 2 0.0 0.009 0.517 (0;000) ✗ 27/01/17
HgNCl3 COD 9015637 P4/mmm (123) ✔ 5 38 2 0.0 0.003 0.149 (0;110) ✗ 27/01/17
MoCl3 COD 5910110 C2/m (12) ✔ 8 70 2 0.0 0.038 0.023 (0;000) ✗ 27/01/17
NaCl3 ICSD 190539 Pm-3n (223) ✔ 8 60 3 0.0 0.000 0.607 (1;111) ✗ 27/01/17
CuAsS ICSD 23826 P2_1cn (33) ✗ 12 88 3 0.0 0.140 0.063 (0;000) ✔ 06/10/16
RuCl3 ICSD 22090 P6_3/mcm (193) ✔ 8 74 1 0.0 0.000 0.819 (0;000) ✗ 27/01/17
Li2CrCl4 ICSD 403035 C2/m (12) ✔ 7 48 1 0.0 0.036 0.374 (0;000) ✗ 27/01/17
LiAg COD 9008815 Pm-3m (221) ✔ 2 14 3 0.0 0.195 0.497 (0;111) ✗ 05/01/17
Y3TlC ICSD 42923 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.012 (1;000) ✗ 27/01/17
OsCl4 COD 4343760 Cmmm (65) ✔ 5 44 1 0.0 0.322 0.353 (0;000) ✗ 27/01/17
Ag COD 1509145 P6_3/mmc (194) ✔ 2 22 3 0.0 0.000 0.772 (0;000) ✗ 05/01/17
TaB ICSD 186194 Cmcm (63) ✔ 4 32 3 0.0 0.055 0.360 (1;000) ✗ 06/10/16
TiB ICSD 189386 Pmnb (62) ✔ 8 60 3 0.0 0.000 0.817 (0;011) ✗ 06/10/16
CuAsSe2 ICSD 42884 R3m (160) ✗ 4 28 3 0.0 0.298 0.023 (0;000) ✔ 06/10/16
Cu2H3ClO3 ICSD 153707 P2_1/m (11) ✔ 18 100 3 0.0 0.041 0.131 (0;001) ✗ 27/01/17
Cu2H3ClO3 COD 9007603 R-3m (166) ✔ 18 100 3 0.0 0.000 0.621 (1;000) ✗ 27/01/17
Cu2H3ClO3 COD 9009464 P2_1/m (11) ✔ 18 100 2 0.0 0.024 0.386 (0;001) ✗ 27/01/17
InCu6ClO8 ICSD 69612 Fm-3m (225) ✔ 16 134 3 0.0 0.007 0.411 (0;000) ✗ 27/01/17
YCu6ClO8 ICSD 188351 Fm-3m (225) ✔ 16 132 3 0.0 0.004 0.872 (0;000) ✗ 27/01/17
ScAg COD 1509537 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.602 (0;111) ✗ 05/01/17
Al2O ICSD 28919 Fm-3m (225) ✔ 3 12 3 0.0 0.005 0.231 (0;000) ✗ 05/01/17
Se ICSD 656457 R-3m (166) ✔ 1 6 3 0.0 0.028 0.777 (0;000) ✗ 27/01/17
Cu3AsS4 ICSD 42516 P-43m (215) ✗ 8 62 3 0.0 0.011 0.393 (1;000) ✔ 05/12/16
Al2Ru ICSD 609234 I4/mmm (139) ✔ 3 22 3 0.0 0.028 0.615 (0;000) ✗ 05/01/17
AlAu ICSD 57495 Pm-3m (221) ✔ 2 14 3 0.0 0.006 0.526 (0;111) ✗ 05/01/17
MnFeAs ICSD 93239 P-62m (189) ✗ 9 84 3 0.0 0.000 0.434 ? ✗ 06/10/16
HCl COD 9015375 Fm-3m (225) ✔ 2 8 1 0.0 0.000 0.102 (1;000) ✗ 27/01/17
AlCo ICSD 187973 Pm-3m (221) ✔ 2 20 3 0.0 0.027 0.322 (0;000) ✗ 05/01/17
ScHCl ICSD 40981 R-3m (166) ✔ 6 38 2 0.0 0.011 0.232 (0;111) ✗ 27/01/17
AlIr ICSD 608241 Pm-3m (221) ✔ 2 20 3 0.0 0.099 0.273 (0;000) ✗ 05/01/17
MnFeAs ICSD 93240 P-62m (189) ✗ 9 84 3 0.0 0.001 0.455 ? ✗ 06/10/16
MgB2 COD 1526507 P6/mmm (191) ✔ 3 16 2 0.0 0.000 0.642 (0;001) ✗ 05/01/17
VB ICSD 42952 Cmcm (63) ✔ 4 32 3 0.0 0.019 0.325 (1;000) ✗ 06/10/16
VFeAs ICSD 610532 P-62m (189) ✗ 9 78 3 0.0 0.000 0.288 ? ✗ 06/10/16
B2Mo COD 1510763 P6/mmm (191) ✔ 3 20 3 0.0 0.003 0.667 (1;000) ✗ 05/01/17
TiB2 COD 2002799 P6/mmm (191) ✔ 3 18 3 0.0 0.010 0.123 (0;001) ✗ 05/01/17
B2W COD 1510851 P6/mmm (191) ✔ 3 20 3 0.0 0.000 0.751 (0;001) ✗ 05/01/17
KClO2 COD 9014207 P2_1/m (11) ✔ 16 112 2 0.0 0.004 0.426 (0;010) ✗ 27/01/17
ZrB2 COD 1510857 P6/mmm (191) ✔ 3 10 3 0.0 0.022 0.126 (0;001) ✗ 05/01/17
SrB6 ICSD 50313 Pm-3m (221) ✔ 7 28 3 0.0 0.002 0.010 (1;111) ✗ 06/10/16
CrB4 COD 1511720 Immm (71) ✔ 5 26 3 0.0 0.015 0.101 (1;111) ✗ 05/01/17
CrB COD 2310092 Cmcm (63) ✔ 4 34 3 0.0 0.000 0.835 (0;110) ✗ 05/01/17
HfBe2 ICSD 616288 P6/mmm (191) ✔ 3 20 1 0.0 0.009 0.660 (0;000) ✗ 05/01/17
LiTiNCl ICSD 261526 Pmmn (59) ✔ 8 54 2 0.0 0.000 0.845 (0;000) ✗ 27/01/17
GaSb ICSD 190426 P6_3mc (186) ✗ 4 36 3 0.0 0.008 0.010 (0;000) ✔ 06/10/16
BaGe ICSD 52688 Cmcm (63) ✔ 4 28 1 0.0 0.011 0.146 (0;110) ✗ 06/10/16
Be ICSD 52708 Im-3m (229) ✔ 1 4 1 0.0 0.001 0.284 (1;000) ✗ 05/01/17
BeNi ICSD 616363 Pm-3m (221) ✔ 2 14 3 0.0 0.033 0.428 (0;000) ✗ 05/01/17
NCl COD 9007494 Pm-3m (221) ✔ 2 12 1 0.0 0.011 0.693 (0;000) ✗ 27/01/17
Be COD 9012017 P6_3/mmc (194) ✔ 2 8 1 0.0 0.001 0.153 (1;000) ✗ 05/01/17
BePd COD 9008808 Pm-3m (221) ✔ 2 22 3 0.0 0.053 0.538 (0;000) ✗ 05/01/17
BeSe ICSD 53934 Fm-3m (225) ✔ 2 10 1 0.0 2.642 0.027 (0;000) ✗ 05/01/17
SbPbClO2 COD 9010005 Cmcm (63) ✔ 10 76 1 0.0 1.773 1.000 (0;000) ✗ 27/01/17
TiBe ICSD 58743 Pm-3m (221) ✔ 2 16 3 0.0 0.015 0.107 (1;111) ✗ 05/01/17
BaIn ICSD 414228 Cmcm (63) ✔ 8 92 1 0.0 0.011 0.250 (1;000) ✗ 02/02/17
LiAsSe2 ICSD 248118 P-1 (2) ✔ 8 40 1 0.0 0.096 0.008 (0;000) ✗ 06/10/16
NiB COD 9008947 Cmcm (63) ✔ 4 26 3 0.0 0.000 0.399 (0;110) ✗ 27/01/17
BN COD 1010331 P6/mmm (191) ✔ 4 16 2 0.0 0.000 0.351 (0;000) ✗ 27/01/17
VClO COD 2106692 Pmmn (59) ✔ 6 52 2 0.0 0.002 0.323 (1;001) ✗ 27/01/17
MnNiAs ICSD 610883 P-62m (189) ✗ 9 90 3 0.0 0.000 0.687 ? ✗ 06/10/16
YInCo2 ICSD 658677 Pmma (51) ✔ 8 116 3 0.0 0.005 0.397 (1;000) ✗ 27/01/17
BPt COD 1511304 P6_3/mmc (194) ✔ 4 26 3 0.0 0.000 0.556 (1;000) ✗ 27/01/17
MnNiAs ICSD 610888 P-62m (189) ✗ 9 90 3 0.0 0.000 0.687 ? ✗ 06/10/16
BPt COD 9008910 P6_3/mmc (194) ✔ 4 26 3 0.0 0.000 0.822 (0;000) ✗ 27/01/17
ScCl COD 4343683 R-3m (166) ✔ 4 36 2 0.0 0.004 0.709 (0;000) ✗ 27/01/17
CsBr COD 9009744 Fm-3m (225) ✔ 2 16 3 0.0 0.014 0.590 (1;000) ✗ 27/01/17
MnAsPd ICSD 610906 P-62m (189) ✗ 9 90 3 0.0 0.000 0.655 ? ✗ 06/10/16
YCl ICSD 30708 R-3m (166) ✔ 4 36 2 0.0 0.026 0.395 (0;000) ✗ 27/01/17
Mg3ZnC ICSD 44855 Pm-3m (221) ✔ 5 46 3 0.0 0.000 0.764 (1;000) ✗ 27/01/17
ZrCl ICSD 20145 R-3m (166) ✔ 4 22 2 0.0 0.068 0.166 (0;111) ✗ 27/01/17
CuBr COD 9013935 Fm-3m (225) ✔ 2 18 3 0.0 1.451 0.044 (0;000) ✗ 27/01/17
MgNi3C COD 1100063 Pm-3m (221) ✔ 5 44 3 0.0 0.000 0.724 (1;111) ✗ 27/01/17
BaPb ICSD 58664 Cmcm (63) ✔ 4 48 1 0.0 0.085 0.123 (0;110) ✗ 06/10/16
MgCO6 COD 5910029 R-3m (166) ✔ 8 50 3 0.0 0.017 0.392 (0;000) ✗ 27/01/17
MnCO3 COD 1011228 R-3c (167) ✔ 10 74 3 0.0 0.000 0.716 (0;000) ✗ 27/01/17
MnCO3 COD 9007691 R-3c (167) ✔ 10 74 3 0.0 0.001 0.699 (0;000) ✗ 27/01/17
Mo2C ICSD 246146 Pbcn (60) ✔ 12 128 3 0.0 0.031 0.368 (1;000) ✗ 27/01/17
MoC ICSD 618295 P6_3/mmc (194) ✔ 12 108 3 0.0 0.004 0.904 (1;000) ✗ 27/01/17
BaSi ICSD 191760 Cmcm (63) ✔ 4 28 1 0.0 0.020 0.547 (1;110) ✗ 06/10/16
MoC ICSD 618298 P6_3/mmc (194) ✔ 8 72 3 0.0 0.002 0.503 (1;000) ✗ 27/01/17
NiCN2 COD 4307549 P6_3/mmc (194) ✔ 8 48 3 0.0 0.035 0.177 (0;000) ✗ 27/01/17
MnAsPd ICSD 610909 P-62m (189) ✗ 9 90 3 0.0 0.000 0.659 ? ✗ 06/10/16
VB COD 2310100 Cmcm (63) ✔ 4 32 3 0.0 0.019 0.325 (1;000) ✗ 27/01/17
MnAsRu ICSD 44004 P-62m (189) ✗ 9 108 3 0.0 0.000 0.431 ? ✗ 06/10/16
Ca ICSD 168757 Pnma (62) ✔ 4 40 3 0.0 0.012 0.267 (1;000) ✗ 27/01/17
CaN2 ICSD 423721 I4/mmm (139) ✔ 3 20 1 0.0 0.006 0.578 (0;000) ✗ 27/01/17
MnAsRu ICSD 601489 P-62m (189) ✗ 9 108 3 0.0 0.000 0.404 ? ✗ 06/10/16
MnAsRu ICSD 610918 P-62m (189) ✗ 9 108 3 0.0 0.000 0.448 ? ✗ 06/10/16
Nb2C ICSD 31973 Pnma (62) ✔ 12 120 3 0.0 0.087 0.260 (1;000) ✗ 02/02/17
Nb2C ICSD 43670 P-3m1 (164) ✔ 3 30 3 0.0 0.088 0.234 (1;000) ✗ 27/01/17
Nb2PC ICSD 43009 P6_3/mmc (194) ✔ 8 70 3 0.0 0.000 0.780 (1;000) ✗ 27/01/17
Nb2CS2 COD 1532142 P-3m1 (164) ✔ 5 42 2 0.0 0.034 0.307 (1;001) ✗ 27/01/17
Nb2CS2 COD 1532143 R-3m (166) ✔ 5 42 2 0.0 0.017 0.340 (0;111) ✗ 27/01/17
Nb2CS ICSD 43010 P6_3/mmc (194) ✔ 8 72 3 0.0 0.014 0.618 (1;000) ✗ 27/01/17
Ni3C COD 1528750 R-3c (167) ✔ 8 68 3 0.0 0.002 0.520 (0;000) ✗ 27/01/17
ZnNi3C ICSD 77230 Pm-3m (221) ✔ 5 46 3 0.0 0.000 0.756 (1;111) ✗ 27/01/17
NiCO3 COD 9007712 R-3c (167) ✔ 10 64 3 0.0 0.009 0.110 (0;000) ✗ 27/01/17
Ca COD 9012917 Pm-3m (221) ✔ 1 10 1 0.0 0.000 0.233 (0;000) ✗ 27/01/17
Co2CuGe2 ICSD 62856 Pmma (51) ✔ 10 106 3 0.0 0.000 0.865 (1;000) ✗ 27/01/17
MnGaCo2 ICSD 623116 Fm-3m (225) ✔ 4 62 3 0.0 0.004 0.260 (0;000) ✗ 27/01/17
NbGaCo2 COD 1524143 Fm-3m (225) ✔ 4 60 3 0.0 0.023 0.653 (0;000) ✗ 27/01/17
TaGaCo2 COD 1524886 Fm-3m (225) ✔ 4 60 3 0.0 0.058 0.617 (0;000) ✗ 27/01/17
VGaCo2 COD 1524871 Fm-3m (225) ✔ 4 60 3 0.0 0.011 0.486 (0;000) ✗ 27/01/17
Sr(CoGe)2 ICSD 407 I4/mmm (139) ✔ 5 52 3 0.0 0.005 0.628 (1;000) ✗ 27/01/17
Co2Ge ICSD 108289 P6_3/mmc (194) ✔ 6 76 3 0.0 0.001 0.328 (0;000) ✗ 27/01/17
Co2Ge ICSD 623433 P6_3/mmc (194) ✔ 6 76 3 0.0 0.018 0.651 (0;000) ✗ 27/01/17
Co2GeO4 ICSD 21115 Fd-3m (227) ✔ 14 124 3 0.0 0.002 0.942 (0;000) ✗ 27/01/17
TiCo2Ge ICSD 623633 Fm-3m (225) ✔ 4 50 3 0.0 0.012 0.690 (0;000) ✗ 27/01/17
ZnCo2Ge ICSD 52994 Fm-3m (225) ✔ 4 50 3 0.0 0.012 0.520 (0;000) ✗ 27/01/17
HfCo2 COD 1524140 Fd-3m (227) ✔ 6 92 3 0.0 0.000 0.620 (0;000) ✗ 27/01/17
Hf(CoSi)2 ICSD 623793 I4/mmm (139) ✔ 5 54 3 0.0 0.022 0.380 (1;111) ✗ 27/01/17
HfCo2Sn ICSD 623806 Fm-3m (225) ✔ 4 60 3 0.0 0.044 0.664 (0;000) ✗ 27/01/17
VCoP ICSD 624659 Pnma (62) ✔ 12 140 3 0.0 0.000 0.439 (1;011) ✗ 27/01/17
Zr2InCo2 ICSD 107331 P4/mbm (127) ✔ 10 110 3 0.0 0.000 0.865 (1;000) ✗ 27/01/17
MgCo2 ICSD 624067 P6_3/mmc (194) ✔ 12 176 3 0.0 0.005 0.794 (0;000) ✗ 27/01/17
MnCo2Sb ICSD 624129 Fm-3m (225) ✔ 4 54 3 0.0 0.000 0.630 (0;000) ✗ 27/01/17
Na3Co2SbO6 ICSD 245538 C2/m (12) ✔ 12 102 2 0.0 0.015 0.370 (0;000) ✗ 27/01/17
NbCo2 ICSD 624273 P6_3/mmc (194) ✔ 12 188 3 0.0 0.006 0.614 (0;000) ✗ 27/01/17
NbCo2 COD 1525052 Fd-3m (227) ✔ 6 94 3 0.0 0.000 0.653 (0;000) ✗ 27/01/17
Co2NiSe4 ICSD 624485 C2/m (12) ✔ 7 68 3 0.0 0.027 0.522 (0;111) ✗ 27/01/17
Co2SiO4 ICSD 859 Fd-3m (227) ✔ 14 124 3 0.0 0.008 0.939 (0;000) ✗ 27/01/17
Co2P2O7 COD 2009595 C2/m (12) ✔ 11 86 3 0.0 0.010 0.460 (1;000) ✗ 27/01/17
BaSn ICSD 58678 Cmcm (63) ✔ 4 48 1 0.0 0.023 0.135 (0;110) ✗ 05/01/17
TiMnAs ICSD 610927 P-62m (189) ✗ 9 96 3 0.0 0.000 0.763 ? ✗ 06/10/16
CO2 ICSD 236929 Pbcn (60) ✔ 12 64 1 0.0 0.002 0.536 (0;000) ✗ 27/01/17
CaTe ICSD 52792 Pm-3m (221) ✔ 2 16 3 0.0 0.005 0.125 (1;000) ✗ 27/01/17
CrC ICSD 57008 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.677 (1;000) ✗ 27/01/17
Sn ICSD 652713 I4/mmm (139) ✔ 1 14 2 0.0 0.263 0.616 (0;000) ✗ 27/01/17
Sr(CoP)2 COD 7221160 I4/mmm (139) ✔ 5 54 2 0.0 0.002 0.607 (0;111) ✗ 27/01/17
Ba2Bi ICSD 2141 I4/mmm (139) ✔ 6 70 1 0.0 0.014 0.226 (0;111) ✗ 02/02/17
Co2P COD 9009202 Pnma (62) ✔ 12 156 3 0.0 0.000 0.445 (1;011) ✗ 27/01/17
ScCo2 COD 1524430 Fd-3m (227) ✔ 6 90 3 0.0 0.000 0.416 (0;000) ✗ 27/01/17
Sr(CoSi)2 ICSD 425470 I4/mmm (139) ✔ 5 52 3 0.0 0.004 0.639 (1;000) ✗ 27/01/17
Zr(CoSi)2 ICSD 625135 I4/mmm (139) ✔ 5 46 3 0.0 0.023 0.374 (1;111) ✗ 27/01/17
Co2Si ICSD 52281 Pnma (62) ✔ 12 152 3 0.0 0.007 0.606 (1;000) ✗ 27/01/17
Co2Si COD 9009209 Pnma (62) ✔ 12 152 3 0.0 0.009 0.188 (0;000) ✗ 27/01/17
TiCo2Si ICSD 189222 Fm-3m (225) ✔ 4 50 3 0.0 0.000 0.681 (1;000) ✗ 27/01/17
Co2Sn COD 1525127 P6_3/mmc (194) ✔ 6 96 3 0.0 0.021 0.584 (0;000) ✗ 27/01/17
TiCo2Sn COD 1525529 Fm-3m (225) ✔ 4 60 3 0.0 0.000 0.685 (0;000) ✗ 27/01/17
ZrCo2Sn COD 1524615 Fm-3m (225) ✔ 4 52 3 0.0 0.006 0.635 (0;000) ✗ 27/01/17
TaCo2 ICSD 108151 P6_3/mmc (194) ✔ 12 188 3 0.0 0.008 0.407 (0;000) ✗ 27/01/17
TaCo2 COD 1525074 Fd-3m (227) ✔ 6 94 3 0.0 0.000 0.552 (0;000) ✗ 27/01/17
TiCo2 COD 1525441 Fd-3m (227) ✔ 6 92 3 0.0 0.006 0.625 (0;000) ✗ 27/01/17
YCo2 ICSD 625640 Fd-3m (227) ✔ 6 90 3 0.0 0.000 0.401 (0;000) ✗ 27/01/17
ZrCo2 ICSD 625679 Fd-3m (227) ✔ 6 76 3 0.0 0.000 0.558 (0;000) ✗ 27/01/17
CrCo3 ICSD 622450 P6_3/mmc (194) ✔ 8 130 3 0.0 0.000 0.813 (1;000) ✗ 27/01/17
Mn2Co3Ge ICSD 52972 P6_3/mmc (194) ✔ 12 170 3 0.0 0.000 0.829 (0;000) ✗ 27/01/17
NiAsS ICSD 20309 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.633 ? ✗ 06/10/16
InCo3SnS2 ICSD 425137 R-3m (166) ✔ 7 90 3 0.0 0.007 0.201 (0;000) ✗ 27/01/17
Co3Mo COD 2310283 P6_3/mmc (194) ✔ 8 130 3 0.0 0.000 0.696 (0;000) ✗ 27/01/17
Nb2Co3Si ICSD 53018 P6_3/mmc (194) ✔ 12 162 3 0.0 0.000 0.793 (1;000) ✗ 27/01/17
Co3O4 COD 9005896 Fd-3m (227) ✔ 14 150 3 0.0 0.000 0.106 (0;000) ✗ 27/01/17
Sc2Co3Si ICSD 9966 P6_3/mmc (194) ✔ 12 154 3 0.0 0.000 0.564 (0;000) ✗ 27/01/17
Co3Si ICSD 625031 P6_3/mmc (194) ✔ 8 110 3 0.0 0.000 0.688 (1;000) ✗ 27/01/17
TaCo3 COD 1525075 Pm-3m (221) ✔ 4 64 3 0.0 0.000 0.599 (1;000) ✗ 27/01/17
CdO COD 9006677 Fm-3m (225) ✔ 2 18 3 0.0 1.039 0.074 (0;000) ✗ 27/01/17
Co3W COD 1524836 P6_3/mmc (194) ✔ 8 130 3 0.0 0.000 0.708 (0;000) ✗ 27/01/17
CdPd COD 1524979 P4/mmm (123) ✔ 2 30 3 0.0 0.001 0.577 (1;000) ✗ 27/01/17
YCo5 COD 1528221 P6/mmm (191) ✔ 6 96 3 0.0 0.005 0.817 (0;000) ✗ 27/01/17
Hf(CoGe)6 ICSD 623434 P6/mmm (191) ✔ 13 138 3 0.0 0.002 0.663 (1;000) ✗ 27/01/17
Mg(CoGe)6 ICSD 415256 P6/mmm (191) ✔ 13 136 3 0.0 0.002 0.526 (1;000) ✗ 27/01/17
Ti(CoGe)6 ICSD 623631 P6/mmm (191) ✔ 13 138 3 0.0 0.005 0.640 (1;000) ✗ 27/01/17
Zr(CoGe)6 ICSD 623679 P6/mmm (191) ✔ 13 130 3 0.0 0.006 0.663 (1;000) ✗ 27/01/17
C COD 1512497 P6_3/mmc (194) ✔ 4 16 2 0.0 0.000 0.043 (0;000) ✗ 27/01/17
C COD 4105684 I4/mmm (139) ✔ 1 4 1 0.0 0.006 0.323 (0;000) ✗ 27/01/17
C COD 9012231 Cmme (67) ✔ 8 32 2 0.0 0.009 0.643 (0;001) ✗ 27/01/17
C COD 9012233 Pcca (54) ✔ 16 64 2 0.0 0.002 0.513 (1;001) ✗ 27/01/17
C COD 9012235 Cmme (67) ✔ 8 32 3 0.0 0.003 0.679 (0;000) ✗ 27/01/17
C COD 9012236 Cmmm (65) ✔ 8 32 1 0.0 0.008 0.559 (1;001) ✗ 27/01/17
C COD 9012237 Pban (50) ✔ 16 64 2 0.0 0.001 0.117 (1;000) ✗ 27/01/17
NiAsS ICSD 53937 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.596 ? ✗ 06/10/16
HfC COD 9008641 Fm-3m (225) ✔ 2 16 3 0.0 0.117 0.150 (1;000) ✗ 27/01/17
SrSb2 ICSD 52307 P2_1/m (11) ✔ 6 40 1 0.0 0.140 0.143 (0;010) ✔ 27/01/17
GaBi ICSD 167768 F-43m (216) ✗ 2 28 3 0.0 0.000 0.253 (1;000) ✔ 06/10/16
HfBe ICSD 616286 Cmcm (63) ✔ 4 32 3 0.0 0.043 0.661 (0;000) ✗ 05/01/17
Cr2Co ICSD 27507 Fd-3m (227) ✔ 6 90 3 0.0 0.000 0.525 (0;000) ✗ 27/01/17
CrCoGe COD 8101260 P6_3/mmc (194) ✔ 6 70 3 0.0 0.000 0.845 (1;000) ✗ 27/01/17
CrCoP ICSD 622489 Pnma (62) ✔ 12 144 3 0.0 0.007 0.223 (0;000) ✗ 27/01/17
CrCoSi ICSD 622515 Pnma (62) ✔ 12 140 3 0.0 0.000 0.454 (0;011) ✗ 27/01/17
BePd3 ICSD 107610 Cmcm (63) ✔ 8 116 3 0.0 0.005 0.685 (1;000) ✗ 05/01/17
CsK2CoO2 ICSD 74889 I4/mmm (139) ✔ 6 56 1 0.0 0.066 0.476 (0;000) ✗ 27/01/17
CoCu2O3 COD 2002500 Pmmn (59) ✔ 12 114 3 0.0 0.000 0.977 (1;000) ✗ 27/01/17
NiAsS ICSD 93899 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.615 ? ✗ 06/10/16
CoF2 COD 9009073 P4_2/mnm (136) ✔ 6 62 3 0.0 0.000 0.698 (0;000) ✗ 27/01/17
NaCoF3 ICSD 192150 Cmcm (63) ✔ 10 94 2 0.0 0.000 0.575 (0;000) ✗ 27/01/17
NiAsSe ICSD 93901 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.690 ? ✗ 06/10/16
MoC ICSD 618302 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.580 (1;000) ✗ 27/01/17
AsPd3Pb2 ICSD 106267 Cmc2_1 (36) ✗ 12 126 3 0.0 0.000 0.783 ? ✗ 06/10/16
ZnCO6 COD 5910061 R-3m (166) ✔ 8 52 3 0.0 0.006 0.388 (1;111) ✗ 27/01/17
C COD 4313211 Fm-3m (225) ✔ 1 4 1 0.0 0.005 0.580 (0;000) ✗ 27/01/17
GaFe2Co COD 1524146 Fm-3m (225) ✔ 4 46 3 0.0 0.006 0.350 (1;000) ✗ 27/01/17
Fe2CoO4 ICSD 184063 Fd-3m (227) ✔ 14 114 3 0.0 0.000 0.611 (0;000) ✗ 27/01/17
FeCoP ICSD 622955 Pnma (62) ✔ 12 120 3 0.0 0.006 0.330 (0;000) ✗ 27/01/17
FeCoSi ICSD 165250 Pnma (62) ✔ 12 116 3 0.0 0.001 0.609 (1;011) ✗ 27/01/17
LiCoSO4F ICSD 167202 P-1 (2) ✔ 16 114 3 0.0 0.013 0.268 (0;100) ✗ 27/01/17
NaCoSO4F ICSD 262275 C2/c (15) ✔ 16 126 3 0.0 0.001 0.551 (1;011) ✗ 27/01/17
MnGa2Co COD 1525264 Fm-3m (225) ✔ 4 58 3 0.0 0.000 0.845 (0;000) ✗ 27/01/17
CoGe2 ICSD 52964 Cmce (64) ✔ 12 100 3 0.0 0.005 0.235 (0;000) ✗ 27/01/17
YCoGe2 ICSD 623665 Cmcm (63) ✔ 8 72 3 0.0 0.003 0.770 (1;110) ✗ 27/01/17
HfCoGe ICSD 623439 Pnma (62) ✔ 12 132 3 0.0 0.000 0.615 (1;011) ✗ 27/01/17
CoGe ICSD 43677 C2/m (12) ✔ 8 84 3 0.0 0.012 0.780 (0;000) ✗ 27/01/17
MgCoGe ICSD 418853 P4/nmm (129) ✔ 6 62 3 0.0 0.000 0.777 (0;001) ✗ 27/01/17
MnCoGe ICSD 52969 Pnma (62) ✔ 12 144 3 0.0 0.003 0.434 (0;000) ✗ 27/01/17
MnCoGe ICSD 623495 P6_3/mmc (194) ✔ 6 72 3 0.0 0.001 0.606 (1;000) ✗ 27/01/17
NbCoGe ICSD 623540 Pnma (62) ✔ 12 136 3 0.0 0.021 0.106 (1;000) ✗ 27/01/17
ScCoGe ICSD 623584 Pnma (62) ✔ 12 128 3 0.0 0.037 0.401 (0;000) ✗ 27/01/17
TaCoGe ICSD 623611 Pnma (62) ✔ 12 136 3 0.0 0.020 0.144 (1;000) ✗ 27/01/17
VCoGe ICSD 623660 Pnma (62) ✔ 12 136 3 0.0 0.004 0.156 (1;000) ✗ 27/01/17
ZrCoGe ICSD 623685 Pnma (62) ✔ 12 100 3 0.0 0.000 0.636 (1;011) ✗ 27/01/17
CoH2SeO5 ICSD 66747 C2/c (15) ✔ 18 110 3 0.0 0.001 0.443 (1;010) ✗ 27/01/17
CoH2SO5 COD 9009371 C2/c (15) ✔ 18 110 3 0.0 0.001 0.531 (1;100) ✗ 27/01/17
Hf2CoP ICSD 84827 P2_1/m (11) ✔ 8 92 3 0.0 0.014 0.572 (0;000) ✗ 27/01/17
HfCoP ICSD 623786 Pnma (62) ✔ 12 136 3 0.0 0.018 0.068 (1;000) ✗ 27/01/17
HfCoSi ICSD 623795 Pnma (62) ✔ 12 132 3 0.0 0.000 0.522 (1;011) ✗ 27/01/17
C COD 9000046 Fmmm (69) ✔ 2 8 2 0.0 0.005 0.011 (0;110) ✗ 27/01/17
Co ICSD 27504 Fd-3m (227) ✔ 6 102 3 0.0 0.000 0.681 (0;000) ✗ 27/01/17
KCoO2 COD 1527585 P4/nmm (129) ✔ 8 76 1 0.0 0.022 0.485 (0;001) ✗ 27/01/17
MnCoO3 ICSD 31854 R-3 (148) ✔ 10 100 3 0.0 0.006 0.610 (1;000) ✗ 27/01/17
MnCoP COD 1008861 Pnma (62) ✔ 12 148 3 0.0 0.001 0.615 (1;011) ✗ 27/01/17
MnCoSi ICSD 53006 P6_3/mmc (194) ✔ 6 72 3 0.0 0.006 0.761 (0;000) ✗ 27/01/17
KC8 ICSD 70020 Fddd (70) ✔ 18 82 2 0.0 0.000 0.815 (1;111) ✗ 02/02/17
MnCoSi COD 1009072 Pnma (62) ✔ 12 144 3 0.0 0.005 0.289 (0;000) ✗ 27/01/17
CoMoO4 COD 7205001 P2/c (13) ✔ 12 110 3 0.0 0.000 0.788 (1;100) ✗ 27/01/17
CoMoP2 ICSD 624219 P6_3/mmc (194) ✔ 8 82 3 0.0 0.000 0.623 (0;000) ✗ 27/01/17
CoMoP ICSD 2421 Pnma (62) ✔ 12 144 3 0.0 0.008 0.168 (0;000) ✗ 27/01/17
Na3CoO3 ICSD 99580 P-1 (2) ✔ 14 124 1 0.0 0.002 0.212 (0;001) ✗ 27/01/17
Na5CoSO2 ICSD 412978 P4/mmm (123) ✔ 9 80 1 0.0 0.066 0.218 (0;000) ✗ 27/01/17
Nb4CoP ICSD 9967 P4/mcc (124) ✔ 12 148 3 0.0 0.002 0.357 (0;110) ✗ 27/01/17
Nb4CoSi ICSD 43233 P4/mcc (124) ✔ 12 146 3 0.0 0.000 0.851 (0;000) ✗ 27/01/17
AsPdS ICSD 93903 P2_13 (198) ✗ 12 116 3 0.0 0.000 0.603 (1;000) ✔ 28/11/16
C COD 9011577 P6_3/mmc (194) ✔ 4 16 2 0.0 0.000 0.060 (0;000) ✗ 27/01/17
NbCoP ICSD 624292 Pnma (62) ✔ 12 140 3 0.0 0.001 0.385 (1;011) ✗ 27/01/17
NbCoSi ICSD 624322 Pnma (62) ✔ 12 136 3 0.0 0.018 0.134 (1;000) ✗ 27/01/17
CoSiNi ICSD 165256 Pnma (62) ✔ 12 124 3 0.0 0.000 0.473 (0;011) ✗ 27/01/17
Cr3PN ICSD 626346 Cmcm (63) ✔ 10 104 3 0.0 0.005 0.783 (1;110) ✗ 27/01/17
CoNiSn COD 1524150 P6_3/mmc (194) ✔ 6 82 3 0.0 0.000 0.870 (1;000) ✗ 27/01/17
CoReO4 ICSD 72872 Cmmm (65) ✔ 6 56 3 0.0 0.015 0.818 (1;001) ✗ 27/01/17
Co(RhO2)2 ICSD 109301 Fd-3m (227) ✔ 14 150 3 0.0 0.000 0.189 (0;000) ✗ 27/01/17
CoSeO4 ICSD 109072 Cmcm (63) ✔ 12 94 3 0.0 0.000 0.568 (0;000) ✗ 27/01/17
CoSO4 ICSD 16986 Cmcm (63) ✔ 12 94 3 0.0 0.000 0.596 (0;000) ✗ 27/01/17
Sr2CoReO6 ICSD 262352 I4/m (87) ✔ 10 88 3 0.0 0.007 0.544 (0;000) ✗ 27/01/17
SrCoO ICSD 155223 P6_3/mmc (194) ✔ 6 66 1 0.0 0.000 0.673 (1;000) ✗ 27/01/17
CoP2W ICSD 624660 P6_3/mmc (194) ✔ 8 82 3 0.0 0.001 1.000 (0;000) ✗ 27/01/17
Co(PdSe)2 ICSD 416513 Ibam (72) ✔ 10 130 3 0.0 0.000 0.515 (1;000) ✗ 27/01/17
CoP COD 9008928 Pnma (62) ✔ 8 88 3 0.0 0.021 0.369 (0;000) ✗ 27/01/17
CoPPd ICSD 624599 P4/nmm (129) ✔ 6 80 3 0.0 0.011 0.497 (1;000) ✗ 27/01/17
CoPS3 ICSD 624616 C2/m (12) ✔ 10 80 2 0.0 0.006 0.364 (0;000) ✗ 27/01/17
Ta4CoP ICSD 624637 P4/mcc (124) ✔ 12 148 3 0.0 0.004 0.163 (0;110) ✗ 27/01/17
TaCoP ICSD 624636 Pnma (62) ✔ 12 140 3 0.0 0.000 0.406 (1;011) ✗ 27/01/17
Zr2CoP ICSD 84825 P2_1/m (11) ✔ 8 60 3 0.0 0.003 0.620 (1;000) ✗ 27/01/17
ZrCoP ICSD 624675 Pnma (62) ✔ 12 104 3 0.0 0.008 0.043 (1;000) ✗ 27/01/17
CoS2 COD 9007682 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.653 (0;111) ✗ 27/01/17
CoSb COD 9008885 P6_3/mmc (194) ✔ 4 44 3 0.0 0.017 0.704 (0;000) ✗ 27/01/17
Sc2Co COD 1524513 I4/mcm (140) ✔ 6 78 3 0.0 0.000 0.554 (1;000) ✗ 27/01/17
Sc2CoSi2 ICSD 624952 C2/m (12) ✔ 10 94 3 0.0 0.009 0.636 (0;110) ✗ 27/01/17
ScCoSi ICSD 420415 Pnma (62) ✔ 12 128 3 0.0 0.010 0.409 (0;000) ✗ 27/01/17
CoSe2 ICSD 42540 Pnnm (58) ✔ 6 58 3 0.0 0.000 0.810 (0;000) ✗ 27/01/17
CoSe COD 9008886 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.810 (0;000) ✗ 27/01/17
YCoSi2 ICSD 625129 Cmcm (63) ✔ 8 72 3 0.0 0.008 0.738 (0;110) ✗ 27/01/17
Zr2CoSi2 ICSD 653752 C2/m (12) ✔ 10 66 3 0.0 0.009 0.595 (0;111) ✗ 27/01/17
TaCoSi ICSD 625050 Pnma (62) ✔ 12 136 3 0.0 0.015 0.146 (1;000) ✗ 27/01/17
TiCoSi ICSD 165246 Pnma (62) ✔ 12 132 3 0.0 0.000 0.524 (1;011) ✗ 27/01/17
Be2Zn ICSD 168955 Fmmm (69) ✔ 3 20 2 0.0 0.043 0.231 (1;000) ✗ 06/10/16
VCoSi COD 8102916 Pnma (62) ✔ 12 136 3 0.0 0.001 0.147 (0;000) ✗ 27/01/17
ZrCoSi ICSD 625144 Pnma (62) ✔ 12 100 3 0.0 0.000 0.626 (1;011) ✗ 27/01/17
CoSn2 COD 1524261 I4/mcm (140) ✔ 6 90 3 0.0 0.001 0.667 (1;000) ✗ 27/01/17
CoS COD 9008884 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.670 (0;000) ✗ 27/01/17
Ta2Co COD 1524529 I4/mcm (140) ✔ 6 86 3 0.0 0.000 0.498 (0;111) ✗ 27/01/17
CoTe2 COD 9009790 Pnnm (58) ✔ 6 58 3 0.0 0.000 0.790 (0;000) ✗ 27/01/17
CoTe COD 9008887 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.839 (1;000) ✗ 27/01/17
Ti2Co COD 1525181 Fd-3m (227) ✔ 6 82 3 0.0 0.000 0.679 (0;000) ✗ 27/01/17
V3Co ICSD 102716 Pm-3n (223) ✔ 8 112 3 0.0 0.000 0.567 (1;000) ✗ 27/01/17
Zr2Co COD 1524514 I4/mcm (140) ✔ 6 50 3 0.0 0.000 0.765 (0;000) ✗ 27/01/17
Zr3Co ICSD 625670 P6_3/mmc (194) ✔ 8 58 3 0.0 0.000 0.801 (1;000) ✗ 27/01/17
Zr3Co COD 1524752 Cmcm (63) ✔ 8 58 3 0.0 0.000 0.851 (1;000) ✗ 27/01/17
Pd3PbC ICSD 108178 Pm-3m (221) ✔ 5 72 3 0.0 0.045 0.540 (0;111) ✗ 27/01/17
Pt3PbC ICSD 77234 Pm-3m (221) ✔ 5 48 3 0.0 0.000 0.364 (1;111) ✗ 27/01/17
Ti2PbC ICSD 42926 P6_3/mmc (194) ✔ 8 84 3 0.0 0.012 0.650 (1;000) ✗ 27/01/17
Zr2PbC ICSD 618634 P6_3/mmc (194) ✔ 8 52 3 0.0 0.000 0.563 (1;000) ✗ 27/01/17
SnPd3C ICSD 618636 P4/mmm (123) ✔ 5 72 3 0.0 0.015 0.274 (0;111) ✗ 27/01/17
SnPt3C ICSD 108179 Pm-3m (221) ✔ 5 48 3 0.0 0.000 0.378 (1;111) ✗ 27/01/17
V3PC ICSD 618621 Cmcm (63) ✔ 10 96 3 0.0 0.003 0.568 (0;000) ✗ 27/01/17
Cr2F5 COD 2310491 C2/c (15) ✔ 14 126 3 0.0 0.001 0.212 (1;100) ✗ 27/01/17
Cr2FeS4 ICSD 625931 C2/m (12) ✔ 7 60 3 0.0 0.012 0.344 (0;111) ✗ 27/01/17
Cr2FeSe4 ICSD 43042 C2/m (12) ✔ 7 60 3 0.0 0.005 0.333 (1;110) ✗ 27/01/17
Cr2GaN ICSD 53124 P6_3/mmc (194) ✔ 8 92 3 0.0 0.002 0.652 (0;000) ✗ 27/01/17
HfCr2 ICSD 109213 P6_3/mmc (194) ✔ 12 160 3 0.0 0.006 0.704 (1;000) ✗ 27/01/17
HfCr2 ICSD 626143 Fd-3m (227) ✔ 6 80 3 0.0 0.000 0.639 (0;000) ✗ 27/01/17
Cr2HgO4 COD 2210102 Fd-3m (227) ✔ 14 128 3 0.0 0.000 0.145 (0;000) ✗ 27/01/17
NbCr2 COD 1524739 Fd-3m (227) ✔ 6 82 3 0.0 0.000 0.858 (0;000) ✗ 27/01/17
Cr2NiS4 COD 1008079 C2/m (12) ✔ 7 62 3 0.0 0.009 0.389 (1;111) ✗ 27/01/17
Cr2O3 COD 1011067 R-3c (167) ✔ 10 92 3 0.0 0.020 0.757 (1;000) ✗ 27/01/17
Cr2S3 COD 9007441 R-3 (148) ✔ 10 92 3 0.0 0.006 0.349 (1;111) ✗ 27/01/17
Ti(CrS2)2 ICSD 626640 C2/m (12) ✔ 7 64 3 0.0 0.014 0.455 (0;110) ✗ 27/01/17
Cr2Se3 COD 1527062 R-3 (148) ✔ 10 92 3 0.0 0.013 0.360 (1;000) ✗ 27/01/17
TaCr2 ICSD 626867 Fd-3m (227) ✔ 6 82 3 0.0 0.000 0.868 (0;000) ✗ 27/01/17
Ti(CrTe2)2 ICSD 626896 C2/m (12) ✔ 7 64 3 0.0 0.014 0.310 (1;000) ✗ 27/01/17
TiCr2 ICSD 102851 Fd-3m (227) ✔ 6 80 3 0.0 0.000 0.640 (0;000) ✗ 27/01/17
ZrCr2 COD 1524738 Fd-3m (227) ✔ 6 64 3 0.0 0.000 0.629 (0;000) ✗ 27/01/17
ZrCr2 COD 1525357 P6_3/mmc (194) ✔ 12 128 3 0.0 0.001 0.731 (1;000) ✗ 27/01/17
Cr3Ga COD 1524415 Pm-3n (223) ✔ 8 110 3 0.0 0.000 0.958 (0;000) ✗ 27/01/17
Cr3Ir COD 1525149 Pm-3n (223) ✔ 8 118 3 0.0 0.000 0.673 (0;000) ✗ 27/01/17
Cr3RhN ICSD 53143 Pm-3m (221) ✔ 5 64 3 0.0 0.000 0.652 (0;111) ✗ 27/01/17
Cr3O COD 1528029 Pm-3n (223) ✔ 8 96 3 0.0 0.009 0.762 (1;000) ✗ 27/01/17
Cr3Os COD 1525450 Pm-3n (223) ✔ 8 116 3 0.0 0.000 0.700 (0;111) ✗ 27/01/17
Cr3Pt COD 1525151 Pm-3n (223) ✔ 8 104 3 0.0 0.000 0.679 (0;000) ✗ 27/01/17
Cr3Rh ICSD 626569 Pm-3n (223) ✔ 8 118 3 0.0 0.000 0.741 (0;000) ✗ 27/01/17
Cr3Ru ICSD 659684 Pm-3n (223) ✔ 8 116 3 0.0 0.000 0.658 (0;111) ✗ 27/01/17
Cr3S4 COD 9007442 C2/m (12) ✔ 7 66 3 0.0 0.005 0.538 (0;001) ✗ 27/01/17
Cr3Se4 COD 1008921 C2/m (12) ✔ 7 66 3 0.0 0.004 0.716 (0;001) ✗ 27/01/17
Cr3Si COD 1010032 Pm-3n (223) ✔ 8 92 3 0.0 0.000 0.874 (0;111) ✗ 27/01/17
Cr3Te4 ICSD 626873 C2/m (12) ✔ 7 66 2 0.0 0.012 0.181 (1;000) ✗ 27/01/17
Cr3Te4 ICSD 626884 C2/m (12) ✔ 7 66 3 0.0 0.009 0.299 (0;000) ✗ 27/01/17
Cs2CrF6 ICSD 29007 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.343 (0;000) ✗ 27/01/17
CrCuO2 ICSD 82065 P6_3/mmc (194) ✔ 8 74 3 0.0 0.001 0.933 (0;000) ✗ 27/01/17
CrCuO4 ICSD 183216 Cmcm (63) ✔ 12 98 3 0.0 0.000 0.580 (0;000) ✗ 27/01/17
Re2C ICSD 180376 P6_3/mmc (194) ✔ 6 68 3 0.0 0.017 0.656 (1;000) ✗ 27/01/17
ReC ICSD 618702 P6_3/mmc (194) ✔ 8 76 3 0.0 0.004 0.767 (1;000) ✗ 27/01/17
CrF2 COD 9009095 P2_1/c (14) ✔ 6 56 3 0.0 0.023 0.454 (0;000) ✗ 27/01/17
KCrF3 ICSD 27690 P4/mmm (123) ✔ 5 44 3 0.0 0.036 0.796 (0;000) ✗ 27/01/17
KCrF3 COD 4124105 P4/mmm (123) ✔ 5 44 3 0.0 0.036 0.798 (0;000) ✗ 27/01/17
CrF3 COD 2102656 R-3c (167) ✔ 8 70 3 0.0 0.000 0.416 (0;000) ✗ 27/01/17
Na2CrF4 ICSD 67250 P2_1/c (14) ✔ 14 120 1 0.0 0.028 0.444 (0;000) ✗ 27/01/17
AsPdSe ICSD 93904 P2_13 (198) ✗ 12 116 3 0.0 0.000 0.714 (0;101) ✔ 28/11/16
MnCrF5 COD 1000158 C2/c (15) ✔ 14 128 3 0.0 0.024 0.250 (0;110) ✗ 27/01/17
GaCo COD 1525477 Pm-3m (221) ✔ 2 30 3 0.0 0.002 0.365 (0;000) ✗ 27/01/17
MgCrF6 COD 1525281 R-3 (148) ✔ 8 66 3 0.0 0.021 0.431 (0;000) ✗ 27/01/17
CrMoF6 ICSD 50507 P-1 (2) ✔ 8 70 3 0.0 0.034 0.023 (0;000) ✗ 27/01/17
Rb2CrF6 ICSD 29006 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.051 (0;000) ✗ 27/01/17
SrCrF6 COD 1525279 R-3m (166) ✔ 8 66 1 0.0 0.002 0.180 (0;000) ✗ 27/01/17
ZrCrF6 ICSD 35719 Fm-3m (225) ✔ 8 60 3 0.0 0.037 0.570 (0;000) ✗ 27/01/17
Na2CrH2F8 ICSD 418677 C2/m (12) ✔ 13 90 1 0.0 0.022 0.124 (0;000) ✗ 27/01/17
Cr(FeSe2)2 ICSD 625966 C2/m (12) ✔ 7 54 3 0.0 0.004 0.355 (0;001) ✗ 27/01/17
CrFeP COD 9013159 Pnma (62) ✔ 12 108 3 0.0 0.000 0.432 (0;011) ✗ 27/01/17
Cr(GaS2)2 ICSD 626052 P-3m1 (164) ✔ 7 64 2 0.0 0.000 0.725 (0;000) ✗ 27/01/17
CrGa4 ICSD 626026 Im-3m (229) ✔ 5 66 3 0.0 0.000 0.153 (0;000) ✗ 27/01/17
ScRh3C ICSD 77385 Pm-3m (221) ✔ 5 66 3 0.0 0.000 0.137 (0;111) ✗ 27/01/17
YRh3C ICSD 77389 Pm-3m (221) ✔ 5 66 3 0.0 0.000 0.259 (0;111) ✗ 27/01/17
HfCrSi ICSD 626157 Pnma (62) ✔ 12 120 3 0.0 0.014 0.261 (1;000) ✗ 27/01/17
Bi4I ICSD 246145 C2/m (12) ✔ 20 108 3 0.0 0.059 0.855 (1;001) ✗ 06/10/16
Cr ICSD 625716 Pm-3n (223) ✔ 8 112 3 0.0 0.005 0.346 (0;000) ✗ 27/01/17
KCrO2 ICSD 425293 P6_3/mmc (194) ✔ 8 70 2 0.0 0.000 0.918 (0;000) ✗ 27/01/17
Tl3AsS3 ICSD 611332 R3m (160) ✗ 7 62 2 0.0 0.329 0.096 (0;000) ✔ 06/10/16
Tl3AsSe3 ICSD 15148 R3m (160) ✗ 7 62 3 0.0 0.383 0.110 (0;000) ✔ 06/10/16
Co COD 9011615 P6_3/mmc (194) ✔ 2 34 3 0.0 0.000 0.926 (0;000) ✗ 27/01/17
NaCr(SiO3)2 COD 9003052 C2/c (15) ✔ 20 134 3 0.0 0.000 0.370 (1;101) ✗ 27/01/17
Nb2CrSe4 COD 1527788 C2/m (12) ✔ 7 64 3 0.0 0.018 0.298 (1;001) ✗ 27/01/17
NbCrP ICSD 53189 Pnma (62) ✔ 12 128 3 0.0 0.015 0.379 (1;000) ✗ 27/01/17
CrNiP ICSD 626440 Pnma (62) ✔ 12 116 3 0.0 0.001 0.533 (0;011) ✗ 27/01/17
CrSiNi ICSD 165255 Pnma (62) ✔ 12 112 3 0.0 0.005 0.316 (0;000) ✗ 27/01/17
NbCrN COD 1528599 P4/nmm (129) ✔ 6 64 3 0.0 0.010 0.490 (0;001) ✗ 27/01/17
CrO2 COD 1516110 P4_2/mnm (136) ✔ 6 52 3 0.0 0.001 0.616 (0;000) ✗ 27/01/17
CrPbO3 ICSD 160196 Pm-3m (221) ✔ 5 46 3 0.0 0.000 0.739 (0;000) ✗ 27/01/17
SrCrO3 ICSD 245834 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.770 (0;000) ✗ 27/01/17
CrPO4 ICSD 248485 Cmcm (63) ✔ 12 86 3 0.0 0.000 0.724 (0;000) ✗ 27/01/17
Sr2CrO4 ICSD 245595 I4/mmm (139) ✔ 7 58 2 0.0 0.021 0.786 (0;000) ✗ 27/01/17
VCrO4 ICSD 36244 Cmcm (63) ✔ 12 102 3 0.0 0.000 0.572 (0;000) ✗ 27/01/17
CrWO4 ICSD 8269 Cmmm (65) ✔ 6 52 3 0.0 0.036 0.669 (0;110) ✗ 27/01/17
YCrO4 ICSD 157934 I4_1/a (88) ✔ 12 98 3 0.0 0.000 0.671 (1;111) ✗ 27/01/17
YCrO4 COD 1008143 I4_1/amd (141) ✔ 12 98 3 0.0 0.000 0.930 (1;111) ✗ 27/01/17
CrP COD 9008930 Pnma (62) ✔ 8 76 3 0.0 0.000 0.480 (1;011) ✗ 27/01/17
CrPt3 COD 1524103 Pm-3m (221) ✔ 4 44 3 0.0 0.000 0.886 (0;000) ✗ 27/01/17
ZrCrP ICSD 626529 Pnma (62) ✔ 12 92 3 0.0 0.000 0.608 (0;011) ✗ 27/01/17
Cr(RhSe2)2 ICSD 626577 C2/m (12) ✔ 7 72 3 0.0 0.013 0.349 (0;111) ✗ 27/01/17
CrSnRh2 ICSD 626578 I4/mmm (139) ✔ 4 62 3 0.0 0.016 0.453 (0;111) ✗ 27/01/17
Cr(Te2Rh)2 ICSD 626579 C2/m (12) ✔ 7 72 3 0.0 0.042 0.404 (0;111) ✗ 27/01/17
V2CrS4 ICSD 626655 C2/m (12) ✔ 7 64 3 0.0 0.015 0.549 (1;110) ✗ 27/01/17
CrSb2 ICSD 86811 I4/mcm (140) ✔ 6 48 3 0.0 0.006 0.448 (0;000) ✗ 27/01/17
ScCo COD 1523971 Pm-3m (221) ✔ 2 28 3 0.0 0.024 0.314 (0;000) ✗ 27/01/17
CrSb2 COD 9012573 Pnnm (58) ✔ 6 48 3 0.0 0.003 0.370 (0;000) ✗ 27/01/17
CrSb COD 9008889 P6_3/mmc (194) ✔ 4 38 3 0.0 0.000 0.659 (0;000) ✗ 27/01/17
CrSe2 ICSD 626718 P-3m1 (164) ✔ 3 26 2 0.0 0.094 0.232 (1;001) ✗ 27/01/17
CrSe COD 9008890 P6_3/mmc (194) ✔ 4 40 3 0.0 0.001 0.577 (0;000) ✗ 27/01/17
ZrCrSi ICSD 626850 Pnma (62) ✔ 12 88 3 0.0 0.010 0.269 (1;000) ✗ 27/01/17
CrS COD 9007443 C2/c (15) ✔ 4 40 3 0.0 0.008 0.657 (0;000) ✗ 27/01/17
CrS COD 9008888 P6_3/mmc (194) ✔ 4 40 3 0.0 0.007 0.658 (0;000) ✗ 27/01/17
CrTe COD 1525990 P6_3/mmc (194) ✔ 4 40 3 0.0 0.009 0.342 (1;000) ✗ 27/01/17
CrTe COD 1525992 Pnma (62) ✔ 8 80 3 0.0 0.004 0.465 (1;000) ✗ 27/01/17
ZrRu3C ICSD 77282 Pm-3m (221) ✔ 5 56 3 0.0 0.001 0.588 (1;111) ✗ 27/01/17
Cs2KCuF6 ICSD 59102 Fm-3m (225) ✔ 10 80 1 0.0 0.000 0.519 (0;000) ✗ 27/01/17
BiI3 ICSD 187608 P2_1 (4) ✗ 8 52 3 0.0 0.431 0.407 (0;000) ✔ 06/10/16
Cs2MnF5 ICSD 69675 P4/mmm (123) ✔ 8 68 1 0.0 0.052 0.625 (0;000) ✗ 27/01/17
Tl3AsSe3 ICSD 603666 R3m (160) ✗ 7 62 3 0.0 0.372 0.110 (0;000) ✔ 06/10/16
CrH2 ICSD 26630 Fm-3m (225) ✔ 3 16 3 0.0 0.003 0.442 (1;000) ✗ 27/01/17
Cr COD 9008467 Fm-3m (225) ✔ 1 14 3 0.0 0.021 0.440 (0;000) ✗ 27/01/17
Cr COD 9008531 Im-3m (229) ✔ 1 14 3 0.0 0.000 0.523 (0;111) ✗ 27/01/17
Cr COD 9011574 P6_3/mmc (194) ✔ 2 28 3 0.0 0.007 0.454 (0;000) ✗ 27/01/17
Cs2KVF6 ICSD 27344 Fm-3m (225) ✔ 10 82 1 0.0 0.000 0.464 (0;000) ✗ 27/01/17
CrO ICSD 109296 Fm-3m (225) ✔ 2 20 3 0.0 0.010 0.672 (0;000) ✗ 27/01/17
Cs ICSD 57180 P6_3/mmc (194) ✔ 2 18 3 0.0 0.000 0.705 (1;000) ✗ 27/01/17
CsI COD 2106199 P4/mmm (123) ✔ 2 16 3 0.0 0.000 0.705 (0;000) ✗ 22/12/16
Pb ICSD 105158 R-3m (166) ✔ 2 28 1 0.0 0.792 0.047 (0;000) ✗ 02/02/17
Ca2Bi ICSD 42136 I4/mmm (139) ✔ 6 50 1 0.0 0.059 0.073 (0;000) ✗ 06/10/16
ScCu COD 1523972 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.621 (0;111) ✗ 27/01/17
V2C ICSD 5005 P-3m1 (164) ✔ 3 30 3 0.0 0.036 0.239 (1;000) ✗ 27/01/17
WC ICSD 185980 Fm-3m (225) ✔ 2 18 3 0.0 0.006 0.526 (0;000) ✗ 27/01/17
ZrC COD 9008777 Fm-3m (225) ✔ 2 8 3 0.0 0.011 0.192 (0;000) ✗ 27/01/17
CuBi ICSD 616577 P6_3/mmc (194) ✔ 4 52 3 0.0 0.048 0.504 (1;000) ✗ 05/01/17
Sr(SnAs)2 ICSD 611428 R3m (160) ✗ 5 48 2 0.0 0.021 0.032 (1;000) ✔ 06/10/16
TiF2 ICSD 65410 Fm-3m (225) ✔ 3 26 3 0.0 0.000 0.347 (0;000) ✗ 27/01/17
Cs2TlVF6 ICSD 27343 Fm-3m (225) ✔ 10 86 3 0.0 0.000 0.144 (0;000) ✗ 27/01/17
Cr3PC ICSD 617527 Cmcm (63) ✔ 10 102 3 0.0 0.000 0.956 (0;110) ✗ 27/01/17
Fe2Ge ICSD 108442 P6/mmm (191) ✔ 3 20 3 0.0 0.002 0.572 (0;000) ✗ 27/01/17
FeNi COD 9010017 P4/mmm (123) ✔ 2 18 3 0.0 0.002 0.583 (1;001) ✗ 27/01/17
Cs2NiO2 ICSD 423923 I4/mmm (139) ✔ 5 40 1 0.0 0.030 0.744 (0;000) ✗ 27/01/17
InBi ICSD 184573 F-43m (216) ✗ 2 18 3 0.0 0.000 0.245 (1;000) ✔ 06/10/16
Hf2Bi ICSD 168286 C2/m (12) ✔ 6 58 3 0.0 0.030 0.460 (0;110) ✗ 06/10/16
Ta2CS2 ICSD 23790 P-3m1 (164) ✔ 5 42 2 0.0 0.028 0.262 (1;001) ✗ 27/01/17
Ta2CS2 ICSD 23791 R-3m (166) ✔ 5 42 2 0.0 0.045 0.371 (1;111) ✗ 27/01/17
Ca(As2Rh3)2 ICSD 89612 P-6m2 (187) ✗ 11 132 3 0.0 0.002 0.264 (1;100) ✔ 05/12/16
Sc2C ICSD 280743 P-3m1 (164) ✔ 3 26 2 0.0 0.001 0.283 (1;001) ✗ 27/01/17
Sc3TlC ICSD 50164 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.059 (1;000) ✗ 27/01/17
FeN COD 1524693 P6_3/mmc (194) ✔ 4 26 3 0.0 0.000 0.679 (0;000) ✗ 27/01/17
Fe COD 9006657 P6_3/mmc (194) ✔ 2 16 3 0.0 0.013 0.553 (0;000) ✗ 27/01/17
Fe COD 9013476 Im-3m (229) ✔ 1 8 3 0.0 0.000 0.788 (0;000) ✗ 27/01/17
Fe COD 9014113 Fm-3m (225) ✔ 1 8 3 0.0 0.003 0.514 (0;000) ✗ 27/01/17
Mg(As2Rh3)2 ICSD 89611 P-6m2 (187) ✗ 11 132 3 0.0 0.004 0.409 ? ✗ 06/10/16
CsFeF3 ICSD 49583 Pm-3m (221) ✔ 5 38 3 0.0 0.090 0.648 (0;000) ✗ 27/01/17
FeO COD 1011198 Fm-3m (225) ✔ 2 14 3 0.0 0.073 0.319 (0;000) ✗ 27/01/17
CsNiF3 ICSD 410394 P6_3/mmc (194) ✔ 10 80 1 0.0 0.001 0.900 (0;000) ✗ 27/01/17
CsNiF3 COD 1527099 P6_3/mmc (194) ✔ 10 80 3 0.0 0.007 0.273 (0;000) ✗ 27/01/17
FePt COD 9004222 P4/mmm (123) ✔ 2 18 3 0.0 0.005 0.856 (1;001) ✗ 27/01/17
Sr(As2Rh3)2 ICSD 89613 P-6m2 (187) ✗ 11 132 3 0.0 0.003 0.271 ? ✗ 06/10/16
FeSi2 COD 9014640 P4/mmm (123) ✔ 3 16 3 0.0 0.030 0.052 (0;001) ✗ 27/01/17
CsReF6 COD 1530107 R-3 (148) ✔ 8 66 1 0.0 0.001 0.032 (0;000) ✗ 27/01/17
TiFe COD 1522778 Pm-3m (221) ✔ 2 20 3 0.0 0.017 0.224 (1;111) ✗ 27/01/17
CsFeO2 ICSD 421173 Fd-3m (227) ✔ 8 58 3 0.0 0.000 0.275 (0;000) ✗ 27/01/17
CaBiAu ICSD 248677 P6_3mc (186) ✗ 6 52 3 0.0 0.017 0.085 (1;000) ✔ 06/10/16
CsHg(NO2)3 COD 1010350 Pm3 (200) ✔ 11 72 3 0.0 0.000 0.653 (1;000) ✗ 27/01/17
CaBiAu ICSD 248679 P6_3mc (186) ✗ 6 52 3 0.0 0.016 0.069 (1;000) ✔ 06/10/16
Cs ICSD 109023 P6_3/mmc (194) ✔ 4 36 3 0.0 0.027 0.689 (1;000) ✗ 27/01/17
Cs ICSD 173930 Pbcm (57) ✔ 4 36 3 0.0 0.004 0.757 (1;100) ✗ 27/01/17
GaIr COD 1523837 Pm-3m (221) ✔ 2 30 3 0.0 0.060 0.163 (0;000) ✗ 27/01/17
Cs ICSD 150187 I4_1/amd (141) ✔ 2 18 3 0.0 0.000 0.599 (1;111) ✗ 27/01/17
CsMnP COD 1521905 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.806 (1;001) ✗ 27/01/17
CaBiAu ICSD 248681 P6_3mc (186) ✗ 6 52 3 0.0 0.039 0.081 (0;000) ✔ 06/10/16
Ga COD 9012485 Cmcm (63) ✔ 2 26 3 0.0 0.000 0.650 (1;110) ✗ 27/01/17
BiSe ICSD 72197 F2mm (42) ✗ 4 42 2 0.0 0.033 0.537 (1;110) ✔ 06/10/16
CaBiAu ICSD 248683 P6_3mc (186) ✗ 6 52 3 0.0 0.043 0.125 (0;000) ✔ 06/10/16
CaBiAu ICSD 248685 P6_3mc (186) ✗ 6 52 3 0.0 0.029 0.076 (1;000) ✔ 06/10/16
GaRh ICSD 657338 Pm-3m (221) ✔ 2 30 3 0.0 0.013 0.233 (0;000) ✗ 27/01/17
Ge ICSD 181070 Fm-3m (225) ✔ 1 4 1 0.0 0.117 0.611 (0;000) ✗ 27/01/17
CsV(SO4)2 ICSD 73736 P-3 (147) ✔ 12 82 2 0.0 0.024 0.435 (0;000) ✗ 27/01/17
Ge ICSD 181073 P6_3/mmc (194) ✔ 2 8 1 0.0 0.015 0.756 (1;000) ✗ 27/01/17
Cs COD 9012725 Cmcm (63) ✔ 2 18 3 0.0 0.000 0.898 (1;000) ✗ 27/01/17
Zn2CuAu ICSD 150572 Pmmn (59) ✔ 8 92 3 0.0 0.042 0.873 (1;000) ✗ 05/01/17
LiAlAg2 COD 1509977 Fm-3m (225) ✔ 4 28 3 0.0 0.000 0.853 (0;000) ✗ 05/01/17
ScAlAg2 COD 1509642 Fm-3m (225) ✔ 4 36 3 0.0 0.005 0.281 (1;000) ✗ 05/01/17
Ti2CS COD 9008971 P6_3/mmc (194) ✔ 8 68 3 0.0 0.002 0.230 (0;000) ✗ 27/01/17
Zr2CS COD 9008972 P6_3/mmc (194) ✔ 8 36 3 0.0 0.015 0.336 (0;000) ✗ 27/01/17
Ta2C COD 8101059 P-3m1 (164) ✔ 3 30 3 0.0 0.355 0.178 (1;000) ✗ 27/01/17
Ti2C ICSD 77473 Fd-3m (227) ✔ 12 112 3 0.0 0.012 0.367 (0;000) ✗ 27/01/17
Ti2TlC ICSD 618954 P6_3/mmc (194) ✔ 8 82 3 0.0 0.000 0.970 (1;000) ✗ 27/01/17
Zr2TlC ICSD 618976 P6_3/mmc (194) ✔ 8 50 3 0.0 0.000 0.968 (0;000) ✗ 27/01/17
KCu2P2H3(O4F)2 ICSD 62646 C2/m (12) ✔ 18 106 3 0.0 0.017 0.015 (0;001) ✗ 27/01/17
FeCu2Sn ICSD 151206 Fm-3m (225) ✔ 4 44 3 0.0 0.035 0.715 (0;000) ✗ 27/01/17
GaCu2 ICSD 627392 Imma (74) ✔ 6 70 3 0.0 0.000 0.496 (0;011) ✗ 27/01/17
ScGaCu2 COD 1524876 Fm-3m (225) ✔ 4 46 3 0.0 0.015 0.251 (1;000) ✗ 27/01/17
Sr(CuGe)2 ICSD 627840 I4/mmm (139) ✔ 5 40 3 0.0 0.016 0.796 (0;000) ✗ 27/01/17
Cu2GeO4 COD 1524532 I4_1/amd (141) ✔ 14 100 3 0.0 0.001 0.845 (1;111) ✗ 27/01/17
Hf(CuP)2 ICSD 53287 P-3m1 (164) ✔ 5 44 3 0.0 0.001 0.174 (1;000) ✗ 27/01/17
InCu2 ICSD 657611 P6_3/mmc (194) ✔ 6 70 3 0.0 0.000 0.652 (1;000) ✗ 27/01/17
MnInCu2 COD 1525451 Fm-3m (225) ✔ 4 50 3 0.0 0.023 0.030 (1;000) ✗ 27/01/17
ScInCu2 COD 1524629 Fm-3m (225) ✔ 4 46 3 0.0 0.020 0.310 (1;000) ✗ 27/01/17
YInCu2 COD 1524632 Fm-3m (225) ✔ 4 46 3 0.0 0.003 0.306 (0;000) ✗ 27/01/17
HfGaAu ICSD 156265 P-6m2 (187) ✗ 6 72 3 0.0 0.299 0.297 (0;000) ✔ 06/10/16
LiY(CuP)2 ICSD 628287 P-3m1 (164) ✔ 6 46 3 0.0 0.370 0.150 (0;000) ✗ 27/01/17
LiCu2P ICSD 628282 P-3m1 (164) ✔ 8 60 2 0.0 0.001 0.184 (1;000) ✗ 27/01/17
LiCu2Sn ICSD 150602 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.791 (0;000) ✗ 27/01/17
MgCu2O3 COD 2002199 Pmmn (59) ✔ 12 100 3 0.0 0.005 0.977 (0;000) ✗ 27/01/17
MgCu2 COD 1524810 Fd-3m (227) ✔ 6 64 3 0.0 0.000 0.731 (0;000) ✗ 27/01/17
MnCu2Sb ICSD 53312 Fm-3m (225) ✔ 4 42 3 0.0 0.025 0.543 (0;000) ✗ 27/01/17
Ba(AgGe)2 COD 7209360 I4/mmm (139) ✔ 5 40 3 0.0 0.037 0.770 (0;000) ✗ 05/01/17
Na2Zr(CuS2)2 ICSD 79536 C2/m (12) ✔ 9 68 1 0.0 0.012 0.006 (1;000) ✗ 27/01/17
Na3Cu2SbO6 ICSD 153037 C2/m (12) ✔ 12 90 2 0.0 0.029 0.015 (0;000) ✗ 27/01/17
SiCu2NiS4 ICSD 628554 P2/m (10) ✔ 8 60 3 0.0 0.006 0.578 (1;011) ✗ 27/01/17
Cu2NiSn COD 1525227 Fm-3m (225) ✔ 4 46 3 0.0 0.007 0.909 (0;000) ✗ 27/01/17
ZnCu2Ni COD 2310325 P4/mmm (123) ✔ 4 44 3 0.0 0.019 0.327 (1;000) ✗ 27/01/17
BaAg2 COD 1509681 Imma (74) ✔ 6 64 3 0.0 0.021 0.390 (0;000) ✗ 05/01/17
MgGaAu ICSD 192086 P-62m (189) ✗ 9 102 3 0.0 0.033 0.628 (0;100) ✔ 05/12/16
ZrGaAu ICSD 156264 P-6m2 (187) ✗ 6 56 3 0.0 0.287 0.291 (0;000) ✔ 06/10/16
Tl(CuO)2 ICSD 36535 Imma (74) ✔ 10 94 3 0.0 0.004 0.531 (1;101) ✗ 27/01/17
Sr2Cu2O3 ICSD 68676 Fmmm (69) ✔ 7 60 1 0.0 0.011 0.885 (1;000) ✗ 27/01/17
SrCu2O3 ICSD 416903 Cmmm (65) ✔ 6 50 3 0.0 0.005 0.916 (0;000) ✗ 27/01/17
SrCu2O3 COD 1532418 Pmmn (59) ✔ 12 100 3 0.0 0.002 0.729 (0;000) ✗ 27/01/17
Ba(AgSn)2 COD 7209364 I4/mmm (139) ✔ 5 60 3 0.0 0.039 0.778 (0;000) ✗ 05/01/17
Y(CuO2)2 ICSD 83493 C2/c (15) ✔ 14 114 3 0.0 0.000 0.368 (1;101) ✗ 27/01/17
Cu2SO5 COD 9009694 C2/m (12) ✔ 16 116 3 0.0 0.068 0.073 (0;000) ✗ 27/01/17
Cu2P2O7 ICSD 27436 C2/m (12) ✔ 11 74 3 0.0 0.008 0.529 (0;000) ✗ 27/01/17
Sr2YTlCu2O7 ICSD 74164 P4/mmm (123) ✔ 13 108 3 0.0 0.012 0.953 (1;111) ✗ 27/01/17
Ca(AgGe)2 COD 7209366 I4/mmm (139) ✔ 5 40 3 0.0 0.003 0.766 (1;000) ✗ 05/01/17
Zr(CuP)2 ICSD 628683 P-3m1 (164) ✔ 5 36 3 0.0 0.035 0.238 (1;000) ✗ 27/01/17
Cu2Sb COD 9008317 P4/nmm (129) ✔ 6 54 3 0.0 0.000 0.769 (0;000) ✗ 27/01/17
Cu2Se ICSD 56025 Fm-3m (225) ✔ 3 28 3 0.0 0.000 0.022 (1;000) ✗ 27/01/17
Sr(SiCu)2 ICSD 25313 I4/mmm (139) ✔ 5 40 3 0.0 0.008 0.778 (0;000) ✗ 27/01/17
Cu2S ICSD 166578 P6_3/mmc (194) ✔ 6 56 3 0.0 0.031 0.151 (0;000) ✗ 27/01/17
CaAg2 COD 2310070 Imma (74) ✔ 6 64 3 0.0 0.035 0.506 (1;000) ✗ 05/01/17
Sr(CuSn)2 ICSD 182102 C2/m (12) ✔ 5 60 3 0.0 0.060 0.604 (1;000) ✗ 27/01/17
Y(CuSn)2 ICSD 603426 P4/nmm (129) ✔ 10 122 3 0.0 0.000 0.931 (1;000) ✗ 27/01/17
Cu2Te ICSD 77055 P6/mmm (191) ✔ 6 56 3 0.0 0.006 0.376 (0;000) ✗ 27/01/17
TiCu2 ICSD 629405 Cmcm (63) ✔ 6 68 3 0.0 0.022 0.085 (1;000) ✗ 27/01/17
YCu2 COD 2310298 Imma (74) ✔ 6 66 3 0.0 0.001 0.694 (0;100) ✗ 27/01/17
ZrZnCu2 COD 1524552 Fm-3m (225) ✔ 4 38 3 0.0 0.015 0.206 (0;000) ✗ 27/01/17
YFe4(CuO4)3 ICSD 237749 Im3 (204) ✔ 20 148 3 0.0 0.000 0.880 (0;111) ✗ 27/01/17
Cu3Ge ICSD 627678 Pmmn (59) ✔ 8 74 3 0.0 0.000 0.936 (1;010) ✗ 27/01/17
Cu3Ge ICSD 627687 P6_3/mmc (194) ✔ 8 74 3 0.0 0.000 0.850 (0;000) ✗ 27/01/17
NaGeAu ICSD 78866 Im2m (44) ✗ 6 48 3 0.0 0.004 0.703 (1;000) ✔ 06/10/16
Mg2SiCu3 ICSD 53304 P6_3/mmc (194) ✔ 12 114 3 0.0 0.000 0.903 (1;000) ✗ 27/01/17
Cu3N ICSD 55222 Pm-3m (221) ✔ 4 38 3 0.0 0.000 0.661 (0;111) ✗ 27/01/17
Cu3N COD 1010167 Pm-3m (221) ✔ 4 38 3 0.0 0.675 0.090 (0;000) ✗ 27/01/17
Cu3P COD 1528021 P-3m1 (164) ✔ 8 76 3 0.0 0.013 0.548 (1;000) ✗ 27/01/17
Cu3Sb ICSD 628989 Fm-3m (225) ✔ 4 38 3 0.0 0.000 0.375 (1;000) ✗ 27/01/17
Cu3Sn ICSD 162569 P6_3/mmc (194) ✔ 8 94 3 0.0 0.000 0.951 (1;000) ✗ 27/01/17
Cu3Sn COD 1524122 Pmmn (59) ✔ 8 94 3 0.0 0.000 0.937 (1;010) ✗ 27/01/17
Hf3(SiCu)4 ICSD 87201 Immm (71) ✔ 11 96 3 0.0 0.017 0.509 (0;111) ✗ 27/01/17
Cu4O3 COD 9000603 I4_1/amd (141) ✔ 14 124 3 0.0 0.025 0.679 (1;111) ✗ 27/01/17
Zr3(SiCu)4 ICSD 87200 Immm (71) ✔ 11 72 3 0.0 0.006 0.540 (0;111) ✗ 27/01/17
YCu5 COD 2310320 P6/mmm (191) ✔ 6 66 3 0.0 0.003 0.700 (0;001) ✗ 27/01/17
Cu6PbO8 COD 2102005 Fm-3m (225) ✔ 15 128 3 0.0 0.006 0.540 (0;000) ✗ 27/01/17
CuF2 COD 9009094 P2_1/c (14) ✔ 6 50 3 0.0 0.000 0.422 (0;000) ✗ 27/01/17
KCuF3 ICSD 21110 P4/mbm (127) ✔ 10 82 3 0.0 0.000 0.837 (0;001) ✗ 27/01/17
KCuF3 ICSD 9856 I4/mcm (140) ✔ 10 82 3 0.0 0.009 0.248 (0;000) ✗ 27/01/17
KCuF3 COD 9006349 I4/mcm (140) ✔ 10 82 3 0.0 0.004 0.255 (0;000) ✗ 27/01/17
RbCuF3 ICSD 69656 I4/mcm (140) ✔ 10 82 3 0.0 0.004 0.236 (0;000) ✗ 27/01/17
Na2CuF4 ICSD 34602 P2_1/c (14) ✔ 14 114 1 0.0 0.000 0.562 (0;010) ✗ 27/01/17
SrCuF4 ICSD 9927 I4/mcm (140) ✔ 12 98 1 0.0 0.001 0.584 (0;000) ✗ 27/01/17
K2NaCuF6 ICSD 22111 Fm-3m (225) ✔ 10 80 1 0.0 0.000 0.366 (0;000) ✗ 27/01/17
CuPtF6 ICSD 64660 P-1 (2) ✔ 16 126 3 0.0 0.006 0.051 (1;010) ✗ 27/01/17
Fe2CuGe2 ICSD 62330 Pmma (51) ✔ 10 70 3 0.0 0.000 0.985 (1;101) ✗ 27/01/17
FeCuO2 ICSD 66546 P6_3/mmc (194) ✔ 8 62 3 0.0 0.002 0.680 (0;000) ✗ 27/01/17
CuHOF ICSD 98698 P2_1/c (14) ✔ 16 100 2 0.0 0.052 0.272 (0;010) ✗ 27/01/17
NaCuSO4F ICSD 262273 C2/c (15) ✔ 16 114 3 0.0 0.000 0.143 (1;101) ✗ 27/01/17
NbCuO3F ICSD 200533 P-1 (2) ✔ 12 98 3 0.0 0.009 0.456 (1;011) ✗ 27/01/17
SrCuSeF ICSD 172798 P4/nmm (129) ✔ 8 68 1 0.0 0.003 0.435 (1;001) ✗ 27/01/17
MgCdAg2 COD 1509770 Fm-3m (225) ✔ 4 44 3 0.0 0.000 0.852 (0;000) ✗ 05/01/17
Cu2Ag2O3 COD 1509784 I4_1/amd (141) ✔ 14 124 3 0.0 0.008 0.587 (0;000) ✗ 05/01/17
SrCuSF ICSD 172796 P4/nmm (129) ✔ 8 68 1 0.0 0.013 0.400 (1;001) ✗ 27/01/17
HfGaCu ICSD 627409 P6_3/mmc (194) ✔ 6 72 3 0.0 0.002 0.401 (0;000) ✗ 27/01/17
ScGeAu ICSD 81733 P6_3mc (186) ✗ 6 52 3 0.0 0.001 0.154 (0;000) ✔ 06/10/16
Sr(AgGe)2 COD 7209368 I4/mmm (139) ✔ 5 40 3 0.0 0.004 0.758 (1;000) ✗ 05/01/17
GaCuPt2 ICSD 102928 P4/mmm (123) ✔ 4 44 3 0.0 0.018 0.251 (1;111) ✗ 27/01/17
ZrGaCu ICSD 627583 P6_3/mmc (194) ✔ 6 56 3 0.0 0.005 0.398 (0;000) ✗ 27/01/17
HfCuGe2 ICSD 627688 P4/nmm (129) ✔ 8 62 3 0.0 0.000 0.906 (0;001) ✗ 27/01/17
ZrCuGe2 ICSD 627883 P4/nmm (129) ✔ 8 46 3 0.0 0.000 0.914 (0;001) ✗ 27/01/17
HfCuGe ICSD 290194 I4/mmm (139) ✔ 6 54 3 0.0 0.000 0.623 (1;000) ✗ 27/01/17
HfCuGe ICSD 600832 Pnma (62) ✔ 12 108 3 0.0 0.001 0.367 (0;011) ✗ 27/01/17
MgCuGe ICSD 627730 P4/nmm (129) ✔ 6 50 3 0.0 0.000 0.761 (0;000) ✗ 27/01/17
CuGeO3 COD 1520902 Pmma (51) ✔ 10 66 3 0.0 0.000 0.935 (0;100) ✗ 27/01/17
CuGeO3 COD 1528527 Pmma (51) ✔ 10 66 3 0.0 0.000 0.683 (1;010) ✗ 27/01/17
CuGeO3 COD 1531289 P2_1/c (14) ✔ 20 132 3 0.0 0.005 0.372 (1;101) ✗ 27/01/17
TiCuGe ICSD 53283 Pnma (62) ✔ 12 108 3 0.0 0.000 0.454 (1;011) ✗ 27/01/17
ZrCuGe ICSD 627886 Pnma (62) ✔ 12 76 3 0.0 0.001 0.475 (1;011) ✗ 27/01/17
CuH2SeO5 ICSD 39887 P-1 (2) ✔ 18 98 3 0.0 0.008 0.094 (1;100) ✗ 27/01/17
CuH2SO5 ICSD 68184 P-1 (2) ✔ 18 98 3 0.0 0.020 0.095 (0;011) ✗ 27/01/17
HfSi2Cu ICSD 87174 P4/nmm (129) ✔ 8 62 3 0.0 0.000 0.899 (1;000) ✗ 27/01/17
HfSiCu ICSD 627916 Pnma (62) ✔ 12 108 3 0.0 0.000 0.320 (0;011) ✗ 27/01/17
LiInAg2 COD 1509646 Fm-3m (225) ✔ 4 38 3 0.0 0.024 0.841 (1;000) ✗ 05/01/17
VAs2 ICSD 611574 C2/m (12) ✔ 6 46 3 0.0 0.020 0.148 (0;111) ✔ 05/01/17
InCuPt2 ICSD 108380 P4/mmm (123) ✔ 4 44 3 0.0 0.002 0.230 (0;000) ✗ 27/01/17
HfC ICSD 169399 P-6m2 (187) ✗ 2 16 3 0.0 0.028 0.019 (1;000) ✔ 04/10/16
NbN ICSD 167868 F-43m (216) ✗ 2 18 3 0.0 0.000 0.347 (0;000) ✔ 04/10/16
AlPd ICSD 58114 P2_13 (198) ✗ 8 52 3 0.0 0.000 0.482 (1;101) ✔ 06/10/16
Li2CuP COD 4000338 P6_3/mmc (194) ✔ 8 44 2 0.0 0.718 0.239 (0;000) ✗ 27/01/17
BiI3 ICSD 187609 Fm-3m (225) ✔ 4 26 3 0.0 0.002 0.318 (0;000) ✗ 06/10/16
LiVCuO4 ICSD 290739 Imma (74) ✔ 14 102 3 0.0 0.001 0.627 (1;100) ✗ 27/01/17
YGeAu ICSD 405323 P6_3mc (186) ✗ 6 52 3 0.0 0.020 0.132 (1;000) ✔ 06/10/16
MgCuP ICSD 8221 Pnma (62) ✔ 12 104 3 0.0 0.480 0.019 (0;000) ✗ 27/01/17
Mn2CuO4 COD 1530385 Fd-3m (227) ✔ 14 130 3 0.0 0.000 0.868 (0;000) ✗ 27/01/17
MnCuO2 COD 9011834 C2/m (12) ✔ 4 38 3 0.0 0.040 0.274 (0;000) ✗ 27/01/17
MnCuP ICSD 72411 Pnma (62) ✔ 12 124 3 0.0 0.000 0.293 (1;011) ✗ 27/01/17
CuMoO4 ICSD 39439 P-1 (2) ✔ 12 98 3 0.0 0.027 0.324 (0;110) ✗ 27/01/17
TaCuN2 ICSD 190938 R-3m (166) ✔ 4 34 3 0.0 0.088 0.607 (1;111) ✗ 27/01/17
YGeAu ICSD 656878 P6_3mc (186) ✗ 6 52 3 0.0 0.015 0.132 (1;000) ✔ 06/10/16
ScInAg2 COD 1509650 Fm-3m (225) ✔ 4 46 3 0.0 0.045 0.381 (1;000) ✗ 05/01/17
YInAg2 COD 1509655 Fm-3m (225) ✔ 4 46 3 0.0 0.001 0.380 (0;000) ✗ 05/01/17
MgZnAg2 COD 1509668 Fm-3m (225) ✔ 4 44 3 0.0 0.011 0.851 (0;000) ✗ 05/01/17
NaAg2 COD 1509675 Fd-3m (227) ✔ 6 62 3 0.0 0.000 0.654 (0;000) ✗ 05/01/17
NaCuSe COD 7221370 P4/nmm (129) ✔ 6 52 1 0.0 0.003 0.012 (1;000) ✗ 27/01/17
ScSiAu ICSD 71998 P-6m2 (187) ✗ 6 52 3 0.0 0.035 0.194 (0;000) ✔ 06/10/16
Nb4SiCu ICSD 628492 P4/mcc (124) ✔ 12 134 3 0.0 0.000 0.698 (1;110) ✗ 27/01/17
NbCuTe2 ICSD 414338 P2_1/m (11) ✔ 8 72 3 0.0 0.044 0.253 (1;000) ✗ 27/01/17
CuNi2Sb ICSD 53320 Fm-3m (225) ✔ 4 36 3 0.0 0.004 0.916 (1;000) ✗ 27/01/17
TiCuNi2 ICSD 628580 Pmmn (59) ✔ 8 86 3 0.0 0.000 0.801 (0;000) ✗ 27/01/17
Ni(AgO)2 COD 1509683 R-3m (166) ✔ 5 44 3 0.0 0.014 0.495 (1;111) ✗ 05/01/17
YSiAu ICSD 72000 P6_3mc (186) ✗ 6 52 3 0.0 0.007 0.176 (0;000) ✔ 06/10/16
Ag2PdO2 COD 1509691 Immm (71) ✔ 5 52 3 0.0 0.786 0.083 (0;000) ✗ 05/01/17
Ag2O3 COD 7109247 Pn-3m (224) ✔ 10 80 3 0.0 0.000 0.779 (0;000) ✗ 05/01/17
SrCuO2 COD 1525982 Cmcm (63) ✔ 8 66 3 0.0 0.000 0.961 (0;110) ✗ 27/01/17
BiI3 ICSD 187611 Pnam (62) ✔ 16 104 3 0.0 0.026 0.642 (0;000) ✗ 06/10/16
YSnAu ICSD 415826 P6_3mc (186) ✗ 6 72 3 0.0 0.014 0.191 (1;000) ✔ 28/10/16
SiCuO3 ICSD 89669 Pmma (51) ✔ 10 66 3 0.0 0.000 0.860 (0;100) ✗ 27/01/17
Ag2O COD 1010604 Pn-3m (224) ✔ 6 56 3 0.0 0.003 0.004 (0;000) ✗ 05/01/17
Cu(RhO2)2 ICSD 88962 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.923 (0;000) ✗ 27/01/17
Cu(RhO2)2 COD 2006191 I4_1/amd (141) ✔ 14 138 3 0.0 0.000 0.780 (1;111) ✗ 27/01/17
CuSeO4 ICSD 109073 Cmcm (63) ✔ 12 82 3 0.0 0.000 0.640 (0;000) ✗ 27/01/17
Sr2TlCuO5 ICSD 86427 Pmmm (47) ✔ 9 74 3 0.0 0.009 0.469 (0;001) ✗ 27/01/17
Cu(SbO3)2 ICSD 84789 P4_2/mnm (136) ✔ 18 114 3 0.0 0.000 0.877 (0;000) ✗ 27/01/17
Cu(SbO3)2 COD 9012740 P2_1/c (14) ✔ 18 114 3 0.0 0.000 0.944 (0;010) ✗ 27/01/17
CuO COD 9015924 C2/c (15) ✔ 4 34 3 0.0 0.000 0.506 (1;100) ✗ 27/01/17
Ag2O COD 1509684 P-3m1 (164) ✔ 3 28 3 0.0 0.023 0.333 (1;000) ✗ 05/01/17
YCuP2 COD 1531280 P4/nmm (129) ✔ 8 64 3 0.0 0.007 0.353 (1;000) ✗ 27/01/17
ZrSiCuP ICSD 59594 P4/nmm (129) ✔ 8 48 3 0.0 0.005 0.090 (0;001) ✗ 27/01/17
SrCuP ICSD 53323 P6_3/mmc (194) ✔ 6 52 3 0.0 0.540 0.110 (0;000) ✗ 27/01/17
CuS2 COD 9000742 Pa3 (205) ✔ 12 92 3 0.0 0.000 0.749 (0;111) ✗ 27/01/17
YCuSb2 ICSD 153572 P4/nmm (129) ✔ 8 64 3 0.0 0.045 0.350 (1;000) ✗ 27/01/17
SrCuSb ICSD 53339 P6_3/mmc (194) ✔ 6 52 2 0.0 0.386 0.132 (0;000) ✗ 27/01/17
ScSiCu ICSD 86391 Pnma (62) ✔ 12 104 3 0.0 0.029 0.292 (1;000) ✗ 27/01/17
ScCuSn ICSD 629024 P6_3/mmc (194) ✔ 6 72 3 0.0 0.011 0.350 (1;000) ✗ 27/01/17
CuSe2 COD 9012554 Pnnm (58) ✔ 6 46 3 0.0 0.000 0.942 (0;000) ✗ 27/01/17
ZrSi2Cu ICSD 629236 P4/nmm (129) ✔ 8 46 3 0.0 0.000 0.896 (0;001) ✗ 27/01/17
TiSiCu ICSD 629204 Pnma (62) ✔ 12 108 3 0.0 0.000 0.330 (1;011) ✗ 27/01/17
YSiCu ICSD 30772 P6_3/mmc (194) ✔ 6 52 3 0.0 0.007 0.344 (0;000) ✗ 27/01/17
ZrSiCu ICSD 87198 Pnma (62) ✔ 12 76 3 0.0 0.000 0.324 (0;011) ✗ 27/01/17
CuSn COD 9008892 P6_3/mmc (194) ✔ 4 50 3 0.0 0.000 0.735 (1;000) ✗ 27/01/17
YCuSn ICSD 629300 P6_3/mmc (194) ✔ 6 72 3 0.0 0.003 0.348 (1;000) ✗ 27/01/17
CuS COD 9008372 P6_3/mmc (194) ✔ 12 102 3 0.0 0.000 0.929 (1;000) ✗ 27/01/17
CuTe COD 1526237 Pmmn (59) ✔ 4 34 2 0.0 0.000 0.915 (1;001) ✗ 27/01/17
TiCu COD 1524654 P4/nmm (129) ✔ 4 46 3 0.0 0.000 0.865 (0;000) ✗ 27/01/17
Zr2Cu COD 4310034 C2/m (12) ✔ 6 38 0 0.0 0.006 0.668 (0;000) ✗ 27/01/17
ZrCu ICSD 167595 P2_1/m (11) ✔ 4 30 3 0.0 0.000 0.555 (0;001) ✗ 27/01/17
V2C ICSD 108192 Pbcn (60) ✔ 12 120 3 0.0 0.006 0.151 (0;000) ✗ 27/01/17
Sr(SiAg)2 COD 7209362 I4/mmm (139) ✔ 5 40 3 0.0 0.004 0.765 (1;000) ✗ 05/01/17
Y2C ICSD 96329 R-3m (166) ✔ 3 26 3 0.0 0.012 0.308 (1;111) ✗ 27/01/17
Sr2Fe2S2OF2 ICSD 249688 I4/mmm (139) ✔ 9 68 1 0.0 0.003 0.475 (0;000) ✗ 27/01/17
Sr2Fe2Se2OF2 ICSD 249690 I4/mmm (139) ✔ 9 68 1 0.0 0.006 0.442 (0;000) ✗ 27/01/17
FeF2 COD 9009074 P4_2/mnm (136) ✔ 6 44 3 0.0 0.004 0.260 (0;000) ✗ 27/01/17
Sr(AgSn)2 COD 7209363 I4/mmm (139) ✔ 5 60 3 0.0 0.022 0.781 (1;000) ✗ 05/01/17
H4NF2 ICSD 87361 R-3m (166) ✔ 14 46 1 0.0 0.011 0.428 (0;000) ✗ 27/01/17
Ag2S COD 4329109 P2_1/c (14) ✔ 12 112 3 0.0 0.020 0.016 (0;000) ✗ 05/01/17
SrAg2 COD 1509720 Imma (74) ✔ 6 64 3 0.0 0.004 0.482 (0;000) ✗ 05/01/17
ZrAg2 ICSD 605995 I4/mmm (139) ✔ 3 26 3 0.0 0.036 0.072 (1;000) ✗ 05/01/17
In2Bi ICSD 1247 Ccmm (63) ✔ 6 62 3 0.0 0.000 0.715 (0;000) ✗ 06/10/16
K3Bi ICSD 26885 Ccmm (63) ✔ 8 84 1 0.0 0.006 0.037 (0;000) ✗ 06/10/16
InAg3 COD 1510013 Pm-3m (221) ✔ 4 46 3 0.0 0.000 0.850 (0;111) ✗ 05/01/17
CuBIr ICSD 75029 F2dd (43) ✗ 12 124 3 0.0 0.109 0.190 (1;010) ✔ 20/12/16
MnF2 ICSD 20365 Pbcn (60) ✔ 12 116 3 0.0 0.000 0.446 (1;101) ✗ 27/01/17
MnF2 COD 9009076 P4_2/mnm (136) ✔ 6 58 3 0.0 0.000 0.647 (0;000) ✗ 27/01/17
NiF2 COD 2100984 P4_2/mnm (136) ✔ 6 48 3 0.0 0.016 0.431 (0;000) ✗ 27/01/17
P2O7F2 COD 2300034 P-1 (2) ✔ 11 66 1 0.0 0.005 0.667 (1;000) ✗ 27/01/17
Ag3O4 COD 1510025 P2_1/c (14) ✔ 14 114 3 0.0 0.000 0.789 (1;010) ✗ 05/01/17
Ag3Sb COD 1510041 Pmmn (59) ✔ 8 76 3 0.0 0.039 0.180 (1;000) ✗ 05/01/17
NbFeB ICSD 20298 P-62m (189) ✗ 9 72 3 0.0 0.000 0.914 ? ✗ 06/10/16
Ag3Sn COD 9011118 Pmmn (59) ✔ 8 94 3 0.0 0.000 0.926 (0;000) ✗ 05/01/17
PdF2 COD 1008245 Pa3 (205) ✔ 12 128 3 0.0 0.000 0.323 (0;000) ✗ 27/01/17
PdF2 COD 2310524 P4_2/mnm (136) ✔ 6 64 3 0.0 0.058 0.500 (0;000) ✗ 27/01/17
TlAg3Te2 COD 2105385 Cmmm (65) ✔ 6 58 3 0.0 0.086 0.463 (1;000) ✗ 05/01/17
SrF2 ICSD 262349 Pnma (62) ✔ 12 96 2 0.0 0.001 0.071 (1;000) ✗ 27/01/17
K3Bi ICSD 58793 Fm-3m (225) ✔ 4 42 1 0.0 0.000 0.012 (1;000) ✗ 05/01/17
VF2 ICSD 38069 P4_2/mnm (136) ✔ 6 54 3 0.0 0.001 0.793 (0;000) ✗ 27/01/17
NbFeB ICSD 614046 P-62m (189) ✗ 9 72 3 0.0 0.000 0.664 ? ✗ 06/10/16
Sr(Ag2Sb)2 ICSD 424311 R-3m (166) ✔ 7 64 2 0.0 0.187 0.372 (0;111) ✗ 05/01/17
KFeF3 ICSD 37262 Pm-3m (221) ✔ 5 38 3 0.0 0.145 0.604 (0;000) ✗ 27/01/17
FeF3 COD 2100650 R-3c (167) ✔ 8 58 3 0.0 0.001 0.309 (0;000) ✗ 27/01/17
RbFeF3 ICSD 49586 Pm-3m (221) ✔ 5 38 3 0.0 0.128 0.609 (0;000) ✗ 27/01/17
TaFeB ICSD 614205 P-62m (189) ✗ 9 72 3 0.0 0.000 0.688 ? ✗ 06/10/16
BaAgAs COD 7209304 P6_3/mmc (194) ✔ 6 52 3 0.0 0.020 0.007 (1;000) ✗ 05/01/17
AgAsSe2 COD 1509200 R-3m (166) ✔ 4 28 3 0.0 0.692 0.029 (0;000) ✗ 05/01/17
LaBi ICSD 58795 Fm-3m (225) ✔ 2 8 3 0.0 0.065 0.181 (1;000) ✗ 06/10/16
InF3 COD 1528562 R-3c (167) ✔ 8 68 3 0.0 0.001 0.075 (0;000) ✗ 27/01/17
BIrPd ICSD 75030 F2dd (43) ✗ 12 152 3 0.0 0.036 0.519 (0;111) ✔ 05/12/16
SrAgAs COD 7209311 P6_3/mmc (194) ✔ 6 52 2 0.0 0.003 0.007 (1;000) ✗ 05/01/17
KMnF3 COD 4030704 I4/mcm (140) ✔ 10 90 3 0.0 0.000 0.393 (0;111) ✗ 27/01/17
KPdF3 ICSD 73167 Pm-3m (221) ✔ 5 48 3 0.0 0.000 0.595 (0;000) ✗ 27/01/17
Cd2AgAu COD 2310024 Fm-3m (225) ✔ 4 46 3 0.0 0.001 0.855 (1;000) ✗ 05/01/17
FeB2 COD 1510682 P6/mmm (191) ✔ 3 14 3 0.0 0.001 0.477 (1;000) ✗ 05/01/17
AgTe2Au COD 9003557 P2/m (10) ✔ 8 68 3 0.0 0.051 0.875 (0;000) ✗ 05/01/17
AlPt ICSD 58129 P2_13 (198) ✗ 8 52 3 0.0 0.000 0.324 (0;000) ✔ 06/10/16
Ge2Os ICSD 43690 C2/m (12) ✔ 6 48 3 0.0 0.314 0.057 (0;000) ✔ 27/01/17
NaNiF3 COD 2300484 Cmcm (63) ✔ 10 80 2 0.0 0.002 0.706 (0;000) ✗ 27/01/17
Nb2O2F3 COD 4123273 C2/c (15) ✔ 14 118 3 0.0 0.000 0.850 (1;100) ✗ 27/01/17
NbF3 ICSD 60246 Pm-3m (221) ✔ 4 34 3 0.0 0.000 0.784 (0;000) ✗ 27/01/17
La2Bi ICSD 616761 I4/mmm (139) ✔ 6 22 3 0.0 0.006 0.576 (1;111) ✗ 06/10/16
Zn2AgAu COD 2310025 Fm-3m (225) ✔ 4 46 3 0.0 0.017 0.856 (0;000) ✗ 05/01/17
PdF3 COD 2310600 R-3c (167) ✔ 8 78 3 0.0 0.000 0.662 (0;000) ✗ 27/01/17
RbPdF3 ICSD 73166 Pm-3m (221) ✔ 5 48 3 0.0 0.000 0.589 (0;000) ✗ 27/01/17
BaAgBi COD 1509219 P6_3/mmc (194) ✔ 6 72 3 0.0 0.157 0.393 (1;000) ✗ 05/01/17
RuF3 COD 2310598 R-3c (167) ✔ 8 74 3 0.0 0.000 0.240 (0;000) ✗ 27/01/17
CoAgO2 ICSD 180889 P6_3/mmc (194) ✔ 8 80 3 0.0 0.002 0.391 (1;000) ✗ 05/01/17
BaAgBi COD 2200912 P6_3/mmc (194) ✔ 6 72 2 0.0 0.003 0.161 (1;000) ✗ 05/01/17
TaF3 ICSD 30613 Pm-3m (221) ✔ 4 34 3 0.0 0.000 0.776 (0;000) ✗ 27/01/17
LiBi ICSD 58796 P4/mmm (123) ✔ 2 18 2 0.0 0.028 0.500 (1;000) ✗ 05/01/17
VF3 COD 1000468 R-3c (167) ✔ 8 68 3 0.0 0.014 0.628 (0;000) ✗ 27/01/17
Li3Bi ICSD 58797 Fm-3m (225) ✔ 4 24 1 0.0 0.403 0.105 (0;000) ✗ 05/01/17
BaAgSb ICSD 56981 P6_3/mmc (194) ✔ 6 52 2 0.0 0.223 0.085 (0;000) ✗ 05/01/17
KFeF4 ICSD 23588 Cmcm (63) ✔ 12 90 1 0.0 0.001 0.935 (0;000) ✗ 27/01/17
RbFeF4 ICSD 85499 P4/mbm (127) ✔ 12 90 2 0.0 0.000 0.764 (0;000) ✗ 27/01/17
BaAgSb COD 1509224 P6_3/mmc (194) ✔ 6 52 2 0.0 0.052 0.465 (1;000) ✗ 05/01/17
Be2Ag COD 1509229 Fd-3m (227) ✔ 6 38 3 0.0 0.000 0.446 (0;000) ✗ 05/01/17
AgBF5 COD 1509211 P4/n (85) ✔ 14 98 3 0.0 0.000 0.997 (1;001) ✗ 05/01/17
MnBi ICSD 192873 P6_3/mmc (194) ✔ 4 40 3 0.0 0.007 0.433 (0;000) ✗ 06/10/16
CaAgBi ICSD 659377 P6_3/mmc (194) ✔ 6 72 2 0.0 0.014 0.193 (1;000) ✗ 05/01/17
K2NiF4 COD 1527113 I4/mmm (139) ✔ 7 56 2 0.0 0.011 0.712 (0;000) ✗ 27/01/17
AgBiO3 COD 1509237 R-3 (148) ✔ 10 88 3 0.0 0.018 0.126 (1;000) ✗ 05/01/17
AgBiSe2 COD 9011022 R-3m (166) ✔ 4 38 3 0.0 0.452 0.027 (0;000) ✗ 05/01/17
LiMnF4 ICSD 62655 P2_1/c (14) ✔ 12 92 2 0.0 0.015 0.136 (0;000) ✗ 27/01/17
ReGe2 ICSD 637671 C2/m (12) ✔ 6 46 3 0.0 0.117 0.344 (0;111) ✔ 27/01/17
NaBi ICSD 58816 P4/mmm (123) ✔ 2 14 2 0.0 0.106 0.422 (1;000) ✗ 06/10/16
SrAgBi COD 1509243 P6_3/mmc (194) ✔ 6 72 2 0.0 0.010 0.147 (1;000) ✗ 05/01/17
AgBiTe2 COD 1509245 R-3m (166) ✔ 4 38 3 0.0 0.400 0.164 (0;000) ✗ 05/01/17
NaMnF4 COD 1008528 P2_1/c (14) ✔ 12 104 2 0.0 0.014 0.033 (0;000) ✗ 27/01/17
MnTlF4 ICSD 168525 C2/c (15) ✔ 12 112 3 0.0 0.015 0.126 (0;000) ✗ 27/01/17
Rb2NiF4 ICSD 69682 I4/mmm (139) ✔ 7 56 2 0.0 0.006 0.710 (0;000) ✗ 27/01/17
HfB2 COD 1510711 P6/mmm (191) ✔ 3 18 3 0.0 0.020 0.133 (0;001) ✗ 05/01/17
CaAg COD 1509163 Cmcm (63) ✔ 4 42 1 0.0 0.000 0.626 (0;000) ✗ 05/01/17
Na3Bi ICSD 26881 Ccmm (63) ✔ 8 84 1 0.0 0.029 0.008 (1;000) ✗ 06/10/16
RuF4 ICSD 165398 P2_1/c (14) ✔ 10 88 2 0.0 0.078 0.066 (0;000) ✗ 27/01/17
Nb3Bi ICSD 58817 Pm-3n (223) ✔ 8 108 3 0.0 0.000 0.263 (1;000) ✗ 05/01/17
Cs2KAgF6 ICSD 16783 Fm-3m (225) ✔ 10 80 3 0.0 0.000 0.534 (0;000) ✗ 05/01/17
CsAgF3 COD 1509275 I4/mcm (140) ✔ 10 82 3 0.0 0.011 0.262 (0;000) ✗ 05/01/17
ReN ICSD 167878 F-43m (216) ✗ 2 20 3 0.0 0.030 0.330 (1;000) ✔ 04/10/16
YP5 ICSD 409188 P2_1/m (11) ✔ 12 72 2 0.0 0.731 0.053 (0;000) ✔ 02/02/17
HfN2 ICSD 290427 P-6m2 (187) ✗ 3 22 3 0.0 0.033 0.203 (0;000) ✔ 06/10/16
NiBi ICSD 58820 P6_3/mmc (194) ✔ 4 50 3 0.0 0.000 0.745 (0;000) ✗ 05/01/17
YBPt2 ICSD 156946 P6_222 (180) ✗ 12 102 3 0.0 0.009 0.363 ? ✗ 06/10/16
CuAgO2 COD 1509289 C2/m (12) ✔ 4 34 3 0.0 0.165 0.014 (0;000) ✗ 05/01/17
CuAgSe COD 9008069 Pmmn (59) ✔ 6 56 3 0.0 0.058 0.080 (1;000) ✗ 05/01/17
YBPt2 ICSD 156947 P6_222 (180) ✗ 12 102 3 0.0 0.012 0.375 ? ✗ 06/10/16
Ge(NF3)2 COD 9016461 P-3m1 (164) ✔ 9 56 1 0.0 0.004 0.336 (0;000) ✗ 27/01/17
AgF2 COD 1509319 P2_1/c (14) ✔ 6 50 3 0.0 0.000 0.402 (0;000) ✗ 05/01/17
BiPd ICSD 108171 P6_3/mmc (194) ✔ 4 30 3 0.0 0.000 0.836 (1;000) ✗ 06/10/16
AgF2 COD 1509321 Pbca (61) ✔ 12 100 3 0.0 0.002 0.375 (0;111) ✗ 05/01/17
RbAgF3 COD 1509323 I4/mcm (140) ✔ 10 82 3 0.0 0.013 0.273 (0;000) ✗ 05/01/17
Sn5(BIr3)2 ICSD 78984 P-62m (189) ✗ 13 130 3 0.0 0.000 0.323 ? ✗ 06/10/16
BiPd3 ICSD 58839 Pmma (51) ✔ 16 276 3 0.0 0.017 0.741 (0;100) ✗ 02/02/17
Sn5(BRh3)2 ICSD 77352 P-62m (189) ✗ 13 178 3 0.0 0.003 0.569 ? ✗ 06/10/16
Na2AgF4 ICSD 425149 P2_1/c (14) ✔ 14 114 1 0.0 0.000 0.723 (0;000) ✗ 05/01/17
AgSO4 ICSD 421341 P-1 (2) ✔ 12 82 3 0.0 0.042 0.104 (1;111) ✗ 05/01/17
FeAgO2 COD 2105341 P6_3/mmc (194) ✔ 8 62 3 0.0 0.003 0.665 (0;000) ✗ 05/01/17
BiPt ICSD 58845 P6_3/mmc (194) ✔ 4 30 3 0.0 0.000 0.879 (1;000) ✗ 06/10/16
K2NaMnF6 ICSD 61117 I4/mmm (139) ✔ 10 84 1 0.0 0.052 0.331 (0;000) ✗ 27/01/17
HfSe3 ICSD 42075 P2_1/m (11) ✔ 8 60 2 0.0 0.146 0.271 (0;000) ✔ 27/01/17
Rb3Bi ICSD 58849 Fm-3m (225) ✔ 4 32 1 0.0 0.000 0.038 (1;000) ✗ 06/10/16
HfAg ICSD 605330 P4/nmm (129) ✔ 4 46 3 0.0 0.000 0.851 (1;001) ✗ 05/01/17
K2NaVF6 ICSD 186883 Fm-3m (225) ✔ 10 82 1 0.0 0.000 0.453 (0;000) ✗ 27/01/17
In2Ag COD 1509415 I4/mcm (140) ✔ 6 74 3 0.0 0.000 0.848 (1;111) ✗ 05/01/17
Rb3Bi ICSD 616995 Ccmm (63) ✔ 8 64 1 0.0 0.003 0.057 (0;000) ✗ 06/10/16
InAgSe2 ICSD 604401 R-3m (166) ✔ 4 36 3 0.0 0.022 0.399 (0;000) ✗ 05/01/17
Ag COD 1509194 P6_3/mmc (194) ✔ 4 44 3 0.0 0.004 0.873 (1;000) ✗ 05/01/17
BiRh ICSD 109109 P6_3/mmc (194) ✔ 4 44 3 0.0 0.010 0.572 (0;000) ✗ 06/10/16
LiAg ICSD 247145 I4_1/amd (141) ✔ 4 28 3 0.0 0.025 0.646 (1;111) ✗ 05/01/17
MgAgSb ICSD 187150 P4/nmm (129) ✔ 6 52 3 0.0 0.009 0.235 (1;000) ✗ 05/01/17
ScBi ICSD 58856 Fm-3m (225) ✔ 2 26 3 0.0 0.008 0.261 (1;000) ✗ 05/01/17
KRb2VF6 ICSD 27345 Fm-3m (225) ✔ 10 82 3 0.0 0.000 0.583 (0;000) ✗ 27/01/17
NiAgO2 ICSD 415451 P6_3/mmc (194) ✔ 8 66 3 0.0 0.001 0.884 (0;000) ✗ 05/01/17
Bi2Pd ICSD 42565 C2/m (12) ✔ 6 80 3 0.0 0.126 0.692 (1;000) ✔ 06/10/16
SnBi ICSD 160382 Cmce (64) ✔ 8 116 3 0.0 0.071 0.547 (1;110) ✗ 06/10/16
Li2RhF6 COD 1531412 P4_2/mnm (136) ✔ 18 130 1 0.0 0.000 0.654 (0;000) ✗ 27/01/17
Sr2Bi ICSD 41836 I4/mmm (139) ✔ 6 50 1 0.0 0.035 0.055 (0;111) ✗ 06/10/16
AgO COD 2310065 C2/c (15) ✔ 4 34 3 0.0 0.000 0.283 (1;010) ✗ 05/01/17
Li2VF6 ICSD 290251 P2_1/c (14) ✔ 18 122 1 0.0 0.000 0.769 (0;000) ✗ 27/01/17
Li2VF6 ICSD 290252 P4_2/mnm (136) ✔ 18 122 1 0.0 0.000 0.711 (0;110) ✗ 27/01/17
AgPPd5 ICSD 605631 P4/mmm (123) ✔ 7 106 3 0.0 0.005 0.511 (0;110) ✗ 05/01/17
AgPPt5 ICSD 605633 P4/mmm (123) ✔ 7 66 3 0.0 0.001 0.756 (1;110) ✗ 05/01/17
TlBi ICSD 53967 Pm-3m (221) ✔ 2 28 3 0.0 0.000 0.632 (1;111) ✗ 05/01/17
BaCoF4 ICSD 26067 Ccm2_1 (36) ✗ 12 94 2 0.0 0.000 0.968 ? ✗ 06/10/16
LiRhF6 COD 1531406 R-3 (148) ✔ 8 62 1 0.0 0.145 0.151 (0;000) ✗ 27/01/17
TaAgS3 COD 1509528 Cmcm (63) ✔ 10 84 3 0.0 0.019 0.136 (1;000) ✗ 05/01/17
YAgSb2 ICSD 190094 P4/nmm (129) ✔ 8 64 3 0.0 0.039 0.354 (1;000) ✗ 05/01/17
SrAgSb COD 1509533 P6_3/mmc (194) ✔ 6 52 3 0.0 0.022 0.362 (1;000) ✗ 05/01/17
BaCoF4 ICSD 261189 Ccm2_1 (36) ✗ 12 94 2 0.0 0.000 0.965 ? ✗ 06/10/16
Rb2NaMnF6 ICSD 9708 I4/mmm (139) ✔ 10 84 1 0.0 0.053 0.219 (0;000) ✗ 27/01/17
AgSbTe2 COD 4111783 P4/mmm (123) ✔ 4 28 3 0.0 0.038 0.221 (0;110) ✗ 05/01/17
AgSbTe2 COD 4111784 R-3m (166) ✔ 4 28 3 0.0 0.671 0.213 (0;000) ✗ 05/01/17
Si(NF3)2 COD 9008033 P-3m1 (164) ✔ 9 56 1 0.0 0.000 0.137 (0;000) ✗ 27/01/17
Si(NF3)2 COD 9012469 P-3m1 (164) ✔ 9 56 1 0.0 0.002 0.401 (0;000) ✗ 27/01/17
Si(NF3)2 COD 9016696 Fm-3m (225) ✔ 9 56 1 0.0 0.000 0.369 (1;000) ✗ 27/01/17
V(NF2)3 COD 9014754 Fm-3m (225) ✔ 10 70 1 0.0 0.003 0.251 (0;000) ✗ 27/01/17
BaCoO3 ICSD 88670 C2mm (38) ✗ 10 74 1 0.0 0.000 0.897 ? ✗ 06/10/16
TiAg ICSD 605934 P4/nmm (129) ✔ 4 46 3 0.0 0.000 0.673 (0;001) ✗ 05/01/17
Rb2NaVF6 ICSD 27346 Fm-3m (225) ✔ 10 82 1 0.0 0.000 0.478 (0;000) ✗ 27/01/17
Bi2Pt ICSD 428088 P31m (157) ✗ 9 60 3 0.0 0.005 0.393 (0;000) ✔ 06/10/16
YBi ICSD 58869 Fm-3m (225) ✔ 2 16 3 0.0 0.024 0.255 (1;000) ✗ 06/10/16
BaCuF4 ICSD 9930 Cmc2_1 (36) ✗ 12 98 2 0.0 0.000 0.474 (1;000) ✔ 28/11/16
NbVF6 ICSD 73353 R-3 (148) ✔ 8 68 3 0.0 0.033 0.609 (0;000) ✗ 27/01/17
NiPbF6 COD 1527520 R-3 (148) ✔ 8 66 3 0.0 0.011 0.396 (0;000) ✗ 27/01/17
NiPtF6 ICSD 37448 R-3 (148) ✔ 8 62 3 0.0 0.002 0.461 (0;000) ✗ 27/01/17
YAg COD 1509564 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.654 (0;111) ✗ 05/01/17
NiSnF6 ICSD 25015 R-3 (148) ✔ 8 66 3 0.0 0.000 0.415 (0;000) ✗ 27/01/17
ZrAg COD 1509569 P4/nmm (129) ✔ 4 30 3 0.0 0.000 0.856 (0;000) ✗ 05/01/17
Al2B2Ru3 ICSD 43843 Cmmm (65) ✔ 7 60 3 0.0 0.018 0.778 (1;111) ✗ 05/01/17
Ba(AlGe)2 COD 1532740 I4/mmm (139) ✔ 5 24 2 0.0 0.028 0.264 (0;000) ✗ 05/01/17
ZrBi ICSD 409756 Cmcm (63) ✔ 12 54 3 0.0 0.000 0.702 (1;110) ✗ 06/10/16
PdPtF6 ICSD 64661 R-3 (148) ✔ 8 70 3 0.0 0.002 0.265 (0;000) ✗ 27/01/17
BaAl2 ICSD 246193 Fd-3m (227) ✔ 6 32 3 0.0 0.000 0.593 (0;000) ✗ 05/01/17
Ba(AlSi)2 ICSD 153385 I4/mmm (139) ✔ 5 24 2 0.0 0.000 0.319 (1;000) ✗ 05/01/17
ZrPdF6 ICSD 73133 R-3 (148) ✔ 8 64 3 0.0 0.000 0.785 (0;000) ✗ 27/01/17
CaBi2 ICSD 659277 Cmcm (63) ✔ 6 80 1 0.0 0.032 0.360 (0;110) ✗ 05/01/17
Ca3(AlGe)2 ICSD 52616 Immm (71) ✔ 7 44 1 0.0 0.005 0.676 (0;111) ✗ 05/01/17
Ca3(AlSi)2 COD 7221267 Immm (71) ✔ 7 44 1 0.0 0.003 0.678 (1;111) ✗ 05/01/17
Ca(AlGa)2 ICSD 300209 I4/mmm (139) ✔ 5 42 3 0.0 0.016 0.303 (0;000) ✗ 05/01/17
Ca(AlGe)2 COD 8101147 P-3m1 (164) ✔ 5 24 2 0.0 0.134 0.202 (0;000) ✗ 05/01/17
HfBi2 ICSD 616683 Pmnn (58) ✔ 24 176 3 0.0 0.000 0.396 (1;000) ✗ 06/10/16
Al3Ru ICSD 609233 P6_3/mmc (194) ✔ 16 100 3 0.0 0.020 0.582 (1;000) ✗ 05/01/17
BaMnF4 ICSD 108841 Cmc2_1 (36) ✗ 12 106 2 0.0 0.000 0.949 (1;101) ✔ 28/11/16
CaAl2 COD 1010450 Fd-3m (227) ✔ 6 32 3 0.0 0.001 0.614 (0;000) ✗ 05/01/17
Ca(AlSi)2 COD 1529999 P-3m1 (164) ✔ 5 24 2 0.0 0.524 0.208 (0;000) ✗ 05/01/17
OsC2 ICSD 168279 P-6m2 (187) ✗ 3 24 3 0.0 0.011 0.061 (1;000) ✔ 04/10/16
TaN ICSD 167876 F-43m (216) ✗ 2 18 3 0.0 0.000 0.290 (1;000) ✔ 04/10/16
Fe3H4(OF4)2 ICSD 37140 C2/m (12) ✔ 17 96 3 0.0 0.055 0.380 (0;111) ✗ 27/01/17
Bi2Te3 ICSD 20289 R3m (160) ✗ 5 28 3 0.0 0.026 0.183 (1;111) ✔ 06/10/16
Fe11Si5 ICSD 77369 Pm-3m (221) ✔ 16 108 3 0.0 0.000 0.648 (1;111) ✗ 27/01/17
Fe13Ge3 ICSD 150584 Pm-3m (221) ✔ 16 116 3 0.0 0.000 0.690 (1;111) ✗ 27/01/17
Ga2Fe2S5 ICSD 631804 P-3m1 (164) ✔ 9 72 2 0.0 0.022 0.324 (0;000) ✗ 27/01/17
MnGaFe2 ICSD 186721 Fm-3m (225) ✔ 4 44 3 0.0 0.000 0.758 (1;000) ✗ 27/01/17
MnGaFe2 ICSD 186722 P4/mmm (123) ✔ 4 44 3 0.0 0.003 0.761 (0;100) ✗ 27/01/17
VGaFe2 ICSD 631850 Fm-3m (225) ✔ 4 42 3 0.0 0.090 0.117 (0;000) ✗ 27/01/17
Fe2Ge ICSD 632021 P6_3/mmc (194) ✔ 6 40 3 0.0 0.012 0.772 (0;000) ✗ 27/01/17
Fe2GeO4 COD 9009520 Fd-3m (227) ✔ 14 88 3 0.0 0.006 0.294 (0;000) ✗ 27/01/17
HfFe2 ICSD 103498 Fd-3m (227) ✔ 6 56 3 0.0 0.001 0.395 (0;000) ✗ 27/01/17
HfFe2 ICSD 632246 P6_3/mmc (194) ✔ 12 112 3 0.0 0.005 0.440 (1;000) ✗ 27/01/17
Mg(FeO2)2 COD 1011245 Fd-3m (227) ✔ 14 100 3 0.0 0.006 0.342 (0;000) ✗ 27/01/17
Mn(FeO2)2 COD 1528316 Fd-3m (227) ✔ 14 110 3 0.0 0.000 0.638 (0;000) ✗ 27/01/17
Fe2Mo COD 1501464 P6_3/mmc (194) ✔ 12 120 3 0.0 0.001 0.724 (0;000) ✗ 27/01/17
Na2Fe2Se2O ICSD 186502 I4/mmm (139) ✔ 7 52 1 0.0 0.004 0.459 (0;000) ✗ 27/01/17
NbFe2 ICSD 632782 P6_3/mmc (194) ✔ 12 116 3 0.0 0.001 0.469 (0;000) ✗ 27/01/17
Fe2N ICSD 152811 Pbcn (60) ✔ 12 84 3 0.0 0.000 0.668 (0;101) ✗ 27/01/17
Fe2NiO4 ICSD 52387 Fd-3m (227) ✔ 14 100 3 0.0 0.000 0.790 (0;000) ✗ 27/01/17
Fe2O3 ICSD 189439 Cmcm (63) ✔ 10 68 3 0.0 0.008 0.707 (0;110) ✗ 27/01/17
Fe2O3 ICSD 96077 Pbcn (60) ✔ 20 136 3 0.0 0.001 0.415 (0;000) ✗ 27/01/17
Fe2O3 COD 1011267 R-3c (167) ✔ 10 68 3 0.0 0.040 0.793 (1;000) ✗ 27/01/17
Fe2O3 COD 9015065 R-3c (167) ✔ 10 68 3 0.0 0.011 0.606 (1;000) ✗ 27/01/17
Fe2SiO4 COD 9000735 Fd-3m (227) ✔ 14 88 3 0.0 0.040 0.215 (0;000) ✗ 27/01/17
Zn(FeO2)2 COD 9006902 Fd-3m (227) ✔ 14 104 3 0.0 0.001 0.369 (0;000) ✗ 27/01/17
Fe2PO5 COD 1008736 C2/c (15) ✔ 16 102 3 0.0 0.000 0.683 (0;100) ✗ 27/01/17
Sr3Fe2O5 ICSD 261512 Cmmm (65) ✔ 10 76 3 0.0 0.002 0.740 (0;110) ✗ 27/01/17
Fe2TeO6 COD 1526767 P4_2/mnm (136) ✔ 18 116 3 0.0 0.007 0.206 (1;000) ✗ 27/01/17
Sr(FeP)2 ICSD 54407 I4/mmm (139) ✔ 5 36 2 0.0 0.011 0.570 (1;111) ✗ 27/01/17
ScFe2 ICSD 633428 P6_3/mmc (194) ✔ 12 108 3 0.0 0.001 0.919 (1;000) ✗ 27/01/17
ScFe2 COD 1523284 Fd-3m (227) ✔ 6 54 3 0.0 0.000 0.877 (0;000) ✗ 27/01/17
Zr(FeSi)2 ICSD 633666 I4/mmm (139) ✔ 5 28 3 0.0 0.026 0.701 (1;000) ✗ 27/01/17
Fe2Si COD 9014528 P-3m1 (164) ✔ 6 40 3 0.0 0.006 0.517 (1;001) ✗ 27/01/17
Fe2Sn COD 1523460 P6_3/mmc (194) ✔ 6 60 3 0.0 0.007 0.858 (0;000) ✗ 27/01/17
TiFe2Sn COD 1523643 Fm-3m (225) ✔ 4 42 3 0.0 0.019 0.026 (0;000) ✗ 27/01/17
TaFe2 ICSD 633780 P6_3/mmc (194) ✔ 12 116 3 0.0 0.001 0.581 (1;000) ✗ 27/01/17
TaFe2 ICSD 633784 P6_3/mmc (194) ✔ 12 116 3 0.0 0.002 0.422 (0;000) ✗ 27/01/17
TiFe2 COD 1523306 P6_3/mmc (194) ✔ 12 112 3 0.0 0.001 0.479 (1;000) ✗ 27/01/17
YFe2 ICSD 634083 Fd-3m (227) ✔ 6 54 3 0.0 0.000 0.887 (0;000) ✗ 27/01/17
ZrFe2 COD 1523305 Fd-3m (227) ✔ 6 40 3 0.0 0.000 0.405 (0;000) ✗ 27/01/17
GaFe3 ICSD 631740 P6_3/mmc (194) ✔ 8 74 3 0.0 0.000 0.898 (0;000) ✗ 27/01/17
Zr2GaFe3 ICSD 631863 P6_3/mmc (194) ✔ 12 90 3 0.0 0.000 0.588 (1;000) ✗ 27/01/17
Fe3Ge ICSD 53462 Fm-3m (225) ✔ 4 28 3 0.0 0.005 0.598 (0;000) ✗ 27/01/17
Fe3Ge ICSD 631996 Pm-3m (221) ✔ 4 28 3 0.0 0.000 0.855 (0;111) ✗ 27/01/17
Fe3Ge COD 1001144 P6_3/mmc (194) ✔ 8 56 3 0.0 0.000 0.549 (1;000) ✗ 27/01/17
Zr2Fe3Ge ICSD 53483 P6_3/mmc (194) ✔ 12 72 3 0.0 0.001 0.465 (0;000) ✗ 27/01/17
Fe3RhN ICSD 153274 Pm-3m (221) ✔ 5 46 3 0.0 0.000 0.590 (0;000) ✗ 27/01/17
Fe3O4 COD 9002332 Cmcm (63) ✔ 14 96 3 0.0 0.002 0.831 (1;000) ✗ 27/01/17
Fe3O4 COD 9002674 Fd-3m (227) ✔ 14 96 3 0.0 0.002 0.306 (0;000) ✗ 27/01/17
Fe3Pd COD 1523349 Pm-3m (221) ✔ 4 42 3 0.0 0.000 0.957 (0;000) ✗ 27/01/17
Fe3Pt COD 1523353 Pm-3m (221) ✔ 4 34 3 0.0 0.000 0.942 (0;000) ✗ 27/01/17
Fe3S4 COD 9000077 R-3m (166) ✔ 7 48 2 0.0 0.016 0.515 (0;000) ✗ 27/01/17
Sc2Fe3Si ICSD 633437 P6_3/mmc (194) ✔ 12 100 3 0.0 0.001 0.641 (0;000) ✗ 27/01/17
Fe3Se4 ICSD 633484 C2/m (12) ✔ 7 48 2 0.0 0.012 0.755 (0;111) ✗ 27/01/17
Fe3Se4 COD 1527086 C2/m (12) ✔ 7 48 3 0.0 0.011 0.354 (1;000) ✗ 27/01/17
Fe3S ICSD 633291 Pnma (62) ✔ 16 120 3 0.0 0.008 0.527 (0;000) ✗ 27/01/17
Fe3Si COD 9015110 Fm-3m (225) ✔ 4 28 3 0.0 0.000 0.618 (0;000) ✗ 27/01/17
Zr2Fe3Si ICSD 53558 P6_3/mmc (194) ✔ 12 72 3 0.0 0.000 0.424 (1;000) ✗ 27/01/17
Fe3Sn2 ICSD 71 R-3m (166) ✔ 10 104 3 0.0 0.001 0.459 (1;111) ✗ 27/01/17
Fe3Sn ICSD 633746 P6_3/mmc (194) ✔ 8 76 3 0.0 0.000 0.559 (1;000) ✗ 27/01/17
Fe3Sn COD 1523367 Pm-3m (221) ✔ 4 38 3 0.0 0.000 0.867 (0;111) ✗ 27/01/17
Sc(Fe2P)2 ICSD 68525 P4_2/mnm (136) ✔ 14 106 3 0.0 0.000 0.869 (1;000) ✗ 27/01/17
Zr(Fe2P)2 ICSD 633122 P4_2/mnm (136) ✔ 14 92 3 0.0 0.001 0.259 (0;000) ✗ 27/01/17
Sc(Fe2Si)2 ICSD 633444 P4_2/mnm (136) ✔ 14 102 3 0.0 0.000 0.890 (0;110) ✗ 27/01/17
Y(Fe2Si)2 ICSD 633644 P4_2/mnm (136) ✔ 14 102 3 0.0 0.000 0.912 (0;000) ✗ 27/01/17
Zr(Fe2Si)2 ICSD 87172 P4_2/mnm (136) ✔ 14 88 3 0.0 0.001 0.392 (0;000) ✗ 27/01/17
Hf(GaFe)6 ICSD 631771 Immm (71) ✔ 13 138 3 0.0 0.005 0.613 (1;000) ✗ 27/01/17
Zr(GaFe)6 ICSD 631857 Immm (71) ✔ 13 130 3 0.0 0.006 0.610 (1;000) ✗ 27/01/17
Hf(FeGe)6 COD 1008889 P6/mmm (191) ✔ 13 84 3 0.0 0.000 0.647 (0;000) ✗ 27/01/17
Mg(FeGe)6 ICSD 41461 P6/mmm (191) ✔ 13 82 3 0.0 0.001 0.813 (1;001) ✗ 27/01/17
Ti(FeGe)6 ICSD 92173 P6/mmm (191) ✔ 13 84 3 0.0 0.000 0.494 (0;001) ✗ 27/01/17
Ti(FeGe)6 COD 1525977 P6/mmm (191) ✔ 13 84 3 0.0 0.001 0.900 (0;000) ✗ 27/01/17
Zr(FeGe)6 ICSD 632167 P6/mmm (191) ✔ 13 76 3 0.0 0.003 0.554 (1;001) ✗ 27/01/17
Zr(FeGe)6 COD 1525979 P6/mmm (191) ✔ 13 76 3 0.0 0.001 0.951 (0;000) ✗ 27/01/17
HgS ICSD 104340 F-43m (216) ✗ 2 18 3 0.0 0.087 0.008 (1;000) ✔ 06/10/16
FeGe2 ICSD 42519 I4/mcm (140) ✔ 6 32 3 0.0 0.013 0.346 (0;000) ✗ 27/01/17
YFeGe2 ICSD 632162 Cmcm (63) ✔ 8 54 3 0.0 0.000 0.686 (1;110) ✗ 27/01/17
FeGe ICSD 53456 C2/m (12) ✔ 8 48 3 0.0 0.009 0.876 (1;110) ✗ 27/01/17
FeGe ICSD 632016 P6/mmm (191) ✔ 6 36 3 0.0 0.005 0.874 (0;001) ✗ 27/01/17
TaFeGe ICSD 632129 Pnma (62) ✔ 12 100 3 0.0 0.001 0.387 (1;011) ✗ 27/01/17
ZrFeGe ICSD 632166 Pnma (62) ✔ 12 64 3 0.0 0.084 0.291 (0;000) ✗ 27/01/17
FePH2O5 ICSD 167029 C2/c (15) ✔ 18 90 3 0.0 0.000 0.307 (1;100) ✗ 27/01/17
Bi2Ir ICSD 424397 P2_1/c (14) ✔ 12 76 3 0.0 0.208 0.075 (0;000) ✗ 06/10/16
VFeH2O5 COD 9002153 P-1 (2) ✔ 18 106 3 0.0 0.018 0.312 (1;110) ✗ 27/01/17
TiFeH2 ICSD 601978 P2/m (10) ✔ 8 44 3 0.0 0.017 0.760 (1;100) ✗ 27/01/17
Pb ICSD 105159 P6_3/mmc (194) ✔ 10 140 1 0.0 0.536 0.083 (0;000) ✗ 02/02/17
BaMnF4 ICSD 182601 Ccm2_1 (36) ✗ 12 106 2 0.0 0.000 0.920 ? ✗ 06/10/16
Ca(AlZn)2 ICSD 57550 I4/mmm (139) ✔ 5 40 3 0.0 0.003 0.901 (1;000) ✗ 05/01/17
HfFeP ICSD 86280 Pnma (62) ✔ 12 100 3 0.0 0.000 0.589 (1;011) ✗ 27/01/17
HfFeSi ICSD 632263 Pnma (62) ✔ 12 96 3 0.0 0.007 0.272 (1;000) ✗ 27/01/17
FeHO2 ICSD 24885 Cmcm (63) ✔ 8 42 3 0.0 0.000 0.734 (0;000) ✗ 27/01/17
FeHO2 COD 9002158 Pnma (62) ✔ 16 84 3 0.0 0.001 0.484 (1;011) ✗ 27/01/17
TiFeH ICSD 602022 Pmma (51) ✔ 6 42 3 0.0 0.000 0.748 (1;100) ✗ 27/01/17
InFeO3 COD 2009424 P6_3/mmc (194) ✔ 10 78 3 0.0 0.000 0.825 (0;000) ✗ 27/01/17
KFeS2 COD 1008340 C2/c (15) ✔ 8 58 1 0.0 0.000 0.278 (1;101) ✗ 27/01/17
Al2CoO4 ICSD 290133 Fd-3m (227) ✔ 14 94 3 0.0 0.000 0.270 (0;000) ✗ 05/01/17
Li3FeN2 ICSD 68523 Ibam (72) ✔ 12 54 3 0.0 0.000 0.662 (0;011) ✗ 27/01/17
Li4FeN2 ICSD 68700 Immm (71) ✔ 7 30 1 0.0 0.061 0.130 (0;000) ✗ 27/01/17
LiFeO2 ICSD 31149 I4_1/amd (141) ✔ 8 46 3 0.0 0.000 0.787 (1;111) ✗ 27/01/17
FeSe ICSD 53543 P4/mmm (123) ✔ 2 14 2 0.0 0.001 0.695 (0;110) ✗ 27/01/17
BaMnF4 ICSD 182602 Ccm2_1 (36) ✗ 12 106 2 0.0 0.000 0.800 ? ✗ 06/10/16
LiFeP COD 9008322 P4/nmm (129) ✔ 6 32 2 0.0 0.011 0.513 (1;001) ✗ 27/01/17
FeMoP ICSD 632646 Pnma (62) ✔ 12 108 3 0.0 0.000 0.423 (0;011) ✗ 27/01/17
FeWN2 ICSD 81488 P6_3/mmc (194) ✔ 8 64 3 0.0 0.010 1.000 (1;000) ✗ 27/01/17
Na2FeO4 ICSD 50478 Cmcm (63) ✔ 14 100 1 0.0 0.008 0.250 (1;000) ✗ 27/01/17
Nb4FeP ICSD 632795 P4/mcc (124) ✔ 12 130 3 0.0 0.000 0.873 (0;110) ✗ 27/01/17
Nb4FeSi ICSD 53511 P4/mcc (124) ✔ 12 128 3 0.0 0.001 0.527 (0;110) ✗ 27/01/17
NbFeO4 COD 2002235 P2/c (13) ✔ 12 90 3 0.0 0.000 0.459 (0;010) ✗ 27/01/17
NbFeO4 COD 2002236 C2/m (12) ✔ 12 90 3 0.0 0.016 0.836 (0;000) ✗ 27/01/17
NbFeP ICSD 632794 Pnma (62) ✔ 12 104 3 0.0 0.003 0.138 (0;000) ✗ 27/01/17
NbFeSi ICSD 632827 Pnma (62) ✔ 12 100 3 0.0 0.001 0.330 (1;011) ✗ 27/01/17
Fe(NiO2)2 ICSD 109150 Fd-3m (227) ✔ 14 104 3 0.0 0.000 0.907 (0;000) ✗ 27/01/17
Fe(NiSe2)2 ICSD 632972 C2/m (12) ✔ 7 52 3 0.0 0.038 0.621 (1;111) ✗ 27/01/17
FeSe ICSD 633480 P4/nmm (129) ✔ 4 28 2 0.0 0.029 0.437 (0;000) ✗ 27/01/17
FeNi3 COD 9013941 Pm-3m (221) ✔ 4 38 3 0.0 0.000 0.765 (0;000) ✗ 27/01/17
FeNiPt2 ICSD 42564 P4/mmm (123) ✔ 4 38 3 0.0 0.005 0.799 (0;000) ✗ 27/01/17
FeSiNi ICSD 165244 Pnma (62) ✔ 12 88 3 0.0 0.004 0.250 (1;000) ✗ 27/01/17
FeO2 COD 9015156 Cmcm (63) ✔ 6 40 2 0.0 0.022 0.728 (0;000) ✗ 27/01/17
FeO2 COD 9016406 Pnma (62) ✔ 12 80 3 0.0 0.010 0.278 (1;000) ✗ 27/01/17
SrFeO2 COD 4124111 P4/mmm (123) ✔ 4 30 2 0.0 0.013 0.678 (0;000) ✗ 27/01/17
TlFeO2 ICSD 29011 R-3m (166) ✔ 8 66 3 0.0 0.007 0.271 (0;000) ✗ 27/01/17
Sr2FeO3 ICSD 251020 Immm (71) ✔ 6 46 1 0.0 0.034 0.745 (0;000) ✗ 27/01/17
SrFeO3 ICSD 92335 Pm-3m (221) ✔ 5 36 3 0.0 0.000 0.858 (1;000) ✗ 27/01/17
YAl2Co ICSD 57645 Cmcm (63) ✔ 8 68 3 0.0 0.006 0.719 (0;000) ✗ 05/01/17
FePO4 ICSD 155065 Cmcm (63) ✔ 12 74 3 0.0 0.000 0.546 (0;000) ✗ 27/01/17
FeSO4 ICSD 23507 Cmcm (63) ✔ 12 76 3 0.0 0.071 0.098 (0;000) ✗ 27/01/17
Sr2FeO4 ICSD 74421 I4/mmm (139) ✔ 7 52 2 0.0 0.003 0.768 (0;000) ✗ 27/01/17
V2FeO4 COD 9012329 Fd-3m (227) ✔ 14 116 3 0.0 0.004 0.451 (0;000) ✗ 27/01/17
VFeO4 ICSD 82161 Cmcm (63) ✔ 12 90 3 0.0 0.000 0.500 (0;000) ✗ 27/01/17
FeSO5 COD 9003662 C2/c (15) ✔ 14 88 3 0.0 0.025 0.567 (0;000) ✗ 27/01/17
Sr2FeOsO6 ICSD 251068 Fm-3m (225) ✔ 10 80 3 0.0 0.000 0.467 (0;000) ✗ 27/01/17
Fe(SbO3)2 ICSD 40344 P4_2/mnm (136) ✔ 18 108 3 0.0 0.012 0.041 (0;000) ✗ 27/01/17
Al2CuIr ICSD 167666 Cmme (67) ✔ 8 68 3 0.0 0.032 0.244 (1;001) ✗ 05/01/17
Fe(SO4)2 COD 9003661 Immm (71) ✔ 11 68 3 0.0 0.009 0.880 (0;000) ✗ 27/01/17
Fe COD 4113940 P4/mmm (123) ✔ 1 8 1 0.0 0.001 0.297 (0;000) ✗ 27/01/17
KBi2 ICSD 55068 Fd-3m (227) ✔ 6 78 3 0.0 0.000 0.757 (0;000) ✗ 02/02/17
Fe(PdSe)2 ICSD 416515 Ibam (72) ✔ 10 112 3 0.0 0.009 0.269 (1;111) ✗ 27/01/17
FePd3 ICSD 103582 Pm-3m (221) ✔ 4 62 3 0.0 0.000 0.813 (0;000) ✗ 27/01/17
FeP COD 9008932 Pnma (62) ✔ 8 52 3 0.0 0.000 0.363 (0;011) ✗ 27/01/17
FeTe ICSD 169974 P4/nmm (129) ✔ 4 28 2 0.0 0.008 0.526 (1;001) ✗ 27/01/17
BaMnF4 ICSD 182603 Cmc2_1 (36) ✗ 12 106 3 0.0 0.000 0.897 (1;001) ✔ 28/11/16
FePt3 COD 9013737 Pm-3m (221) ✔ 4 38 3 0.0 0.000 0.892 (0;000) ✗ 27/01/17
Ta4FeP ICSD 86378 P4/mcc (124) ✔ 12 130 3 0.0 0.000 0.735 (1;110) ✗ 27/01/17
TaFeP ICSD 633105 Pnma (62) ✔ 12 104 3 0.0 0.016 0.164 (0;000) ✗ 27/01/17
TiFeP ICSD 633111 Pnma (62) ✔ 12 100 3 0.0 0.000 0.580 (1;011) ✗ 27/01/17
VFeP ICSD 633116 Pnma (62) ✔ 12 104 3 0.0 0.012 0.071 (0;000) ✗ 27/01/17
ZrFeP ICSD 43204 Pnma (62) ✔ 12 68 3 0.0 0.001 0.554 (1;011) ✗ 27/01/17
Fe(RhSe2)2 ICSD 603354 C2/m (12) ✔ 7 66 3 0.0 0.015 0.586 (1;111) ✗ 27/01/17
FeSnRh2 ICSD 633234 I4/mmm (139) ✔ 4 56 3 0.0 0.003 0.267 (0;111) ✗ 27/01/17
FeSiRu2 ICSD 633246 Fm-3m (225) ✔ 4 44 3 0.0 0.013 0.520 (0;000) ✗ 27/01/17
FeSnRu2 COD 1523355 Fm-3m (225) ✔ 4 54 3 0.0 0.003 0.496 (0;000) ✗ 27/01/17
FeS2 COD 9010011 Pa3 (205) ✔ 12 80 3 0.0 0.000 0.299 (1;000) ✗ 27/01/17
Al2CuO4 COD 1010128 Fd-3m (227) ✔ 14 82 3 0.0 0.000 0.705 (0;000) ✗ 05/01/17
TlFeS2 COD 9011992 C2/m (12) ✔ 8 66 2 0.0 0.017 0.290 (0;000) ✗ 27/01/17
Ti2FeS4 COD 9012121 C2/m (12) ✔ 7 56 3 0.0 0.020 0.484 (0;001) ✗ 27/01/17
V2FeS4 ICSD 633355 C2/m (12) ✔ 7 58 3 0.0 0.012 0.444 (0;000) ✗ 27/01/17
FeSb2 ICSD 186639 I4/mcm (140) ✔ 6 36 3 0.0 0.009 0.620 (1;111) ✗ 27/01/17
FeSb2 COD 9012580 Pnnm (58) ✔ 6 36 3 0.0 0.188 0.031 (0;000) ✗ 27/01/17
FeSb COD 9008894 P6_3/mmc (194) ✔ 4 26 3 0.0 0.000 0.937 (0;000) ✗ 27/01/17
Sc2FeSi2 ICSD 76348 C2/m (12) ✔ 10 76 3 0.0 0.013 0.449 (1;000) ✗ 27/01/17
ScFeSi ICSD 84203 Pnma (62) ✔ 12 92 3 0.0 0.001 0.734 (0;011) ✗ 27/01/17
Al2Cu COD 9012196 I4/mcm (140) ✔ 6 34 3 0.0 0.000 0.914 (1;000) ✗ 05/01/17
BaMnF4 ICSD 26066 Ccm2_1 (36) ✗ 12 106 2 0.0 0.000 0.946 ? ✗ 06/10/16
Ti2FeSe4 ICSD 633505 C2/m (12) ✔ 7 56 3 0.0 0.012 0.445 (0;001) ✗ 27/01/17
FeSe ICSD 166445 Pnma (62) ✔ 8 56 3 0.0 0.025 0.326 (1;000) ✗ 27/01/17
FeSe ICSD 290411 Cmme (67) ✔ 4 28 3 0.0 0.009 0.575 (1;111) ✗ 27/01/17
FeSe COD 1010298 P4/nmm (129) ✔ 4 28 2 0.0 0.003 0.469 (1;001) ✗ 27/01/17
FeSe COD 9015076 P6_3/mmc (194) ✔ 4 28 3 0.0 0.021 0.225 (0;000) ✗ 27/01/17
TaFeSi ICSD 633568 Pnma (62) ✔ 12 100 3 0.0 0.001 0.529 (1;011) ✗ 27/01/17
YFeSi ICSD 633643 P4/nmm (129) ✔ 6 46 3 0.0 0.000 0.881 (1;000) ✗ 27/01/17
ZrFeSi ICSD 633674 Pnma (62) ✔ 12 64 3 0.0 0.092 0.200 (0;000) ✗ 27/01/17
FeSn2 COD 1524518 I4/mcm (140) ✔ 6 72 3 0.0 0.010 0.417 (0;000) ✗ 27/01/17
FeSn ICSD 150691 P6_3/mmc (194) ✔ 4 44 3 0.0 0.012 0.493 (1;000) ✗ 27/01/17
FeSn COD 1523159 P6/mmm (191) ✔ 6 66 3 0.0 0.000 0.922 (1;000) ✗ 27/01/17
FeS COD 9007654 Pnma (62) ✔ 8 56 3 0.0 0.012 0.184 (1;000) ✗ 27/01/17
FeS COD 9008893 P6_3/mmc (194) ✔ 4 28 3 0.0 0.020 0.223 (0;000) ✗ 27/01/17
FeS COD 9011800 P4/nmm (129) ✔ 4 28 2 0.0 0.026 0.459 (0;000) ✗ 27/01/17
Al2FeO4 COD 9000939 Fd-3m (227) ✔ 14 76 3 0.0 0.004 0.336 (0;000) ✗ 05/01/17
FeTe2 COD 9009791 Pnnm (58) ✔ 6 40 3 0.0 0.541 0.063 (0;000) ✗ 27/01/17
FeTe COD 9008896 P6_3/mmc (194) ✔ 4 28 3 0.0 0.016 0.359 (1;000) ✗ 27/01/17
V3Fe ICSD 634028 Pm-3n (223) ✔ 8 94 3 0.0 0.000 0.820 (0;000) ✗ 27/01/17
Zr2Fe COD 1523794 I4/mcm (140) ✔ 6 32 3 0.0 0.000 0.535 (1;000) ✗ 27/01/17
Zr3Fe COD 1527778 Cmcm (63) ✔ 8 40 3 0.0 0.007 0.727 (1;000) ✗ 27/01/17
Sr3(AlGe)2 ICSD 52617 Immm (71) ✔ 7 44 1 0.0 0.011 0.612 (1;111) ✗ 05/01/17
Mg3Bi2 ICSD 247911 P-3m1 (164) ✔ 5 40 3 0.0 0.090 0.180 (1;000) ✗ 06/10/16
Sr2FeO3F ICSD 93510 P4/nmm (129) ✔ 14 106 1 0.0 0.000 0.858 (0;000) ✗ 27/01/17
FeSO4F ICSD 182945 C2/c (15) ✔ 14 90 3 0.0 0.001 0.521 (1;100) ✗ 27/01/17
BaMnF4 ICSD 261188 Ccm2_1 (36) ✗ 12 106 2 0.0 0.000 0.946 ? ✗ 06/10/16
Sr(AlGe)2 ICSD 608014 P-3m1 (164) ✔ 5 24 2 0.0 0.016 0.167 (0;000) ✗ 05/01/17
BaNiF4 ICSD 23141 Ccm2_1 (36) ✗ 12 96 2 0.0 0.035 0.572 (0;000) ✔ 06/10/16
LiAl2Ir COD 1523425 Fm-3m (225) ✔ 4 26 3 0.0 0.000 0.832 (1;000) ✗ 05/01/17
KNb4O5F ICSD 88880 P4/mmm (123) ✔ 11 98 3 0.0 0.004 0.604 (0;000) ✗ 27/01/17
LiAl2Rh COD 1523431 Fm-3m (225) ✔ 4 26 3 0.0 0.000 0.864 (1;000) ✗ 05/01/17
BaNiF4 ICSD 261190 Cmc2_1 (36) ✗ 12 96 2 0.0 0.011 0.578 (1;000) ✔ 28/11/16
Mg(AlSi)2 ICSD 156101 P-3m1 (164) ✔ 5 24 3 0.0 0.735 0.315 (0;000) ✗ 05/01/17
Mg2NF COD 1528308 I4_1/amd (141) ✔ 8 64 3 0.0 0.039 0.077 (1;111) ✗ 27/01/17
BaNiF4 ICSD 410708 Ccm2_1 (36) ✗ 12 96 2 0.0 0.002 0.581 ? ✗ 06/10/16
SrMnPF ICSD 189939 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.872 (0;001) ✗ 27/01/17
SrMnSbF ICSD 189941 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.875 (1;001) ✗ 27/01/17
Al2NiO4 ICSD 608815 Fd-3m (227) ✔ 14 80 3 0.0 0.000 0.473 (0;000) ✗ 05/01/17
ScAl2Ni ICSD 370012 Cmcm (63) ✔ 8 54 3 0.0 0.000 0.852 (0;000) ✗ 05/01/17
HgS ICSD 31129 P3_121 (152) ✗ 6 54 3 0.0 0.010 0.199 (0;000) ✔ 06/10/16
Bi2O3 ICSD 168807 P4_2/mcm (132) ✔ 10 56 3 0.0 0.019 0.097 (1;000) ✗ 06/10/16
Al2O3 ICSD 99783 R-3c (167) ✔ 10 48 3 0.0 0.015 0.293 (1;000) ✗ 05/01/17
VPO4F ICSD 183878 C2/c (15) ✔ 14 98 3 0.0 0.000 0.779 (1;100) ✗ 27/01/17
F2 COD 2100647 R-3c (167) ✔ 8 56 3 0.0 0.007 0.700 (0;000) ✗ 27/01/17
Sr(AlPb)2 ICSD 25336 I4/mmm (139) ✔ 5 44 3 0.0 0.012 0.366 (0;000) ✗ 05/01/17
SbOF COD 1528321 Pnma (62) ✔ 12 72 1 0.0 3.503 1.000 (0;000) ✗ 27/01/17
Al2Pd ICSD 58116 Fm-3m (225) ✔ 3 24 3 0.0 0.018 0.855 (0;000) ✗ 05/01/17
HgSe ICSD 24175 F-43m (216) ✗ 2 18 3 0.0 0.000 0.023 (1;000) ✔ 06/10/16
Al2Pt COD 9009032 Fm-3m (225) ✔ 3 16 3 0.0 0.009 0.823 (0;000) ✗ 05/01/17
ScAl2 ICSD 186475 Fd-3m (227) ✔ 6 34 3 0.0 0.000 0.694 (0;000) ✗ 05/01/17
Sr3(AlSi)2 COD 7221268 Immm (71) ✔ 7 44 1 0.0 0.012 0.570 (1;111) ✗ 05/01/17
Sr(AlSi)2 ICSD 609338 P-3m1 (164) ✔ 5 24 2 0.0 0.382 0.180 (0;000) ✗ 05/01/17
SrAl2 ICSD 246192 Fd-3m (227) ✔ 6 32 3 0.0 0.005 0.597 (0;000) ✗ 05/01/17
SrAl2 ICSD 58166 Imma (74) ✔ 6 32 3 0.0 0.116 0.252 (0;000) ✗ 05/01/17
TiAl2 COD 1528043 Cmmm (65) ✔ 6 36 3 0.0 0.010 0.449 (1;110) ✗ 05/01/17
Al2O3 ICSD 173014 P1 (1) ✗ 10 48 3 0.0 0.285 1.000 (0;000) ✔ 06/10/16
HgTe ICSD 162602 F-43m (216) ✗ 2 18 3 0.0 0.000 0.018 (1;000) ✔ 06/10/16
LiGa2Rh COD 1527267 Fm-3m (225) ✔ 4 46 3 0.0 0.041 0.869 (1;000) ✗ 27/01/17
MgGa2 COD 1523559 P6_3/mmc (194) ✔ 6 72 3 0.0 0.005 0.510 (0;000) ✗ 27/01/17
Mn2Ga2S5 ICSD 634664 P-3m1 (164) ✔ 9 86 2 0.0 0.000 0.324 (0;000) ✗ 27/01/17
Nb3Ga2 COD 1523839 P4/mbm (127) ✔ 10 130 3 0.0 0.000 0.851 (0;000) ✗ 27/01/17
Ga2NiS4 ICSD 634901 P-3m1 (164) ✔ 7 60 2 0.0 0.002 0.591 (0;000) ✗ 27/01/17
ScGa2Ni COD 1522446 Cmcm (63) ✔ 8 94 3 0.0 0.000 0.889 (0;000) ✗ 27/01/17
YGa2Ni COD 1523101 Cmcm (63) ✔ 8 94 3 0.0 0.000 0.900 (0;000) ✗ 27/01/17
BaFeO3 ICSD 28917 Pm-3m (221) ✔ 5 36 3 0.0 0.000 0.819 (1;000) ✗ 06/10/16
BaGePt ICSD 106309 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.524 (1;000) ✔ 28/11/16
YAl2 ICSD 609660 Fd-3m (227) ✔ 6 34 3 0.0 0.000 0.752 (0;000) ✗ 05/01/17
HfAl3 ICSD 608064 I4/mmm (139) ✔ 8 42 3 0.0 0.028 0.779 (1;000) ✗ 05/01/17
Al3Ir ICSD 608237 P6_3/mmc (194) ✔ 8 52 3 0.0 0.001 0.542 (1;000) ✗ 05/01/17
LiAl3 ICSD 57952 Pm-3m (221) ✔ 4 12 3 0.0 0.000 0.820 (0;000) ✗ 05/01/17
YGa2Pd ICSD 600148 Cmcm (63) ✔ 8 110 3 0.0 0.000 0.886 (0;110) ✗ 27/01/17
Ga2Pt COD 9009033 Fm-3m (225) ✔ 3 36 3 0.0 0.050 0.831 (0;000) ✗ 27/01/17
BaPIr ICSD 73529 P2_13 (198) ✗ 12 128 3 0.0 0.000 0.394 (0;000) ✔ 05/12/16
ScGa2 COD 1522720 Cmmm (65) ✔ 6 74 3 0.0 0.017 0.510 (1;001) ✗ 27/01/17
ScGa2 COD 1523235 Imma (74) ✔ 6 74 3 0.0 0.001 0.639 (1;101) ✗ 27/01/17
SrGa2 ICSD 150473 P6/mmm (191) ✔ 3 36 2 0.0 0.002 0.595 (0;001) ✗ 27/01/17
Ta3Ga2 ICSD 635467 P4/mbm (127) ✔ 10 130 3 0.0 0.000 0.881 (0;111) ✗ 27/01/17
Ga2Te3 ICSD 657608 R-3m (166) ✔ 5 44 2 0.0 0.032 0.483 (1;111) ✗ 27/01/17
Zr3Ga2 COD 1522710 P4/mbm (127) ✔ 10 76 3 0.0 0.006 0.823 (0;001) ✗ 27/01/17
ZrGa2 COD 1522709 Cmmm (65) ✔ 6 60 3 0.0 0.017 0.480 (1;110) ✗ 27/01/17
NbGa3 COD 1522506 I4/mmm (139) ✔ 4 52 3 0.0 0.005 0.153 (1;000) ✗ 27/01/17
ScGa3 COD 1523115 Pm-3m (221) ✔ 4 50 3 0.0 0.001 0.397 (0;111) ✗ 27/01/17
TaGa3 COD 1522718 I4/mmm (139) ✔ 4 52 3 0.0 0.010 0.165 (1;000) ✗ 27/01/17
Ti2Ga3 COD 1522704 P4/m (83) ✔ 10 126 3 0.0 0.000 0.704 (1;111) ✗ 27/01/17
ZrGa3 ICSD 635698 I4/mmm (139) ✔ 8 86 3 0.0 0.010 0.714 (1;000) ✗ 27/01/17
NbAl3 ICSD 608672 I4/mmm (139) ✔ 4 22 3 0.0 0.014 0.227 (0;000) ✗ 05/01/17
Hf(VGa2)2 ICSD 634333 I4/mmm (139) ✔ 7 90 3 0.0 0.004 0.290 (1;000) ✗ 27/01/17
SrGa4 COD 1522272 I4/mmm (139) ✔ 5 62 3 0.0 0.011 0.237 (1;000) ✗ 27/01/17
Zr(TiGa2)2 ICSD 635567 I4/mmm (139) ✔ 7 80 3 0.0 0.000 0.621 (0;000) ✗ 27/01/17
Zr(VGa2)2 ICSD 635647 I4/mmm (139) ✔ 7 82 3 0.0 0.002 0.271 (1;000) ✗ 27/01/17
Ga5Ni ICSD 165723 I4/mcm (140) ✔ 12 150 3 0.0 0.001 0.474 (1;000) ✗ 27/01/17
MnGaGe ICSD 634255 P4/nmm (129) ✔ 6 64 3 0.0 0.012 0.201 (0;001) ✗ 27/01/17
GaGeTe ICSD 35386 R-3m (166) ✔ 6 46 2 0.0 0.037 0.032 (1;111) ✗ 27/01/17
Al3Pt2 ICSD 58134 P-3m1 (164) ✔ 10 58 3 0.0 0.011 0.797 (0;001) ✗ 05/01/17
Hf2Ga COD 1524524 I4/mcm (140) ✔ 6 74 3 0.0 0.001 0.721 (0;111) ✗ 27/01/17
TaAl3 COD 4312726 I4/mmm (139) ✔ 4 22 3 0.0 0.004 0.180 (0;000) ✗ 05/01/17
Al3V ICSD 609617 I4/mmm (139) ✔ 4 22 3 0.0 0.008 0.187 (0;000) ✗ 05/01/17
InGaSe2 ICSD 601131 I4/mcm (140) ✔ 8 76 3 0.0 0.029 0.126 (0;000) ✗ 27/01/17
Li2GaIr COD 1527262 Fm-3m (225) ✔ 4 36 3 0.0 0.004 0.477 (1;000) ✗ 27/01/17
Li2Ga COD 7221230 Cmcm (63) ✔ 6 38 1 0.0 0.000 0.778 (1;000) ✗ 27/01/17
LiMg2Ga COD 1522013 Fm-3m (225) ✔ 4 36 3 0.0 0.888 0.316 (0;000) ✗ 27/01/17
Bi2Pd ICSD 56280 I4/mmm (139) ✔ 3 20 2 0.0 0.386 0.383 (1;000) ✗ 06/10/16
LiGa COD 1523146 Fd-3m (227) ✔ 4 32 3 0.0 0.013 0.218 (0;000) ✗ 27/01/17
Mn2VGa COD 1523348 Fm-3m (225) ✔ 4 56 3 0.0 0.000 0.598 (1;000) ✗ 27/01/17
Mn3Ga ICSD 634607 P6_3/mmc (194) ✔ 8 116 3 0.0 0.001 0.680 (0;000) ✗ 27/01/17
MnGaNi2 ICSD 103803 Fm-3m (225) ✔ 4 48 3 0.0 0.000 0.609 (0;000) ✗ 27/01/17
Ge2Mo ICSD 76139 I4/mmm (139) ✔ 3 22 3 0.0 0.051 0.327 (1;111) ✗ 27/01/17
MnGaPt COD 1523336 P6_3/mmc (194) ✔ 6 76 3 0.0 0.001 0.576 (0;000) ✗ 27/01/17
GaMo3 ICSD 634695 Pm-3n (223) ✔ 8 110 3 0.0 0.000 0.964 (1;000) ✗ 27/01/17
Nb3Ga COD 1522559 Pm-3n (223) ✔ 8 104 3 0.0 0.001 0.667 (0;000) ✗ 27/01/17
NbGaNi2 ICSD 634779 Fm-3m (225) ✔ 4 46 3 0.0 0.005 0.244 (1;000) ✗ 27/01/17
GaNi2 ICSD 634869 P6_3/mmc (194) ✔ 6 66 3 0.0 0.000 0.978 (0;000) ✗ 27/01/17
ScGaNi2 COD 1523490 Fm-3m (225) ✔ 4 44 3 0.0 0.000 0.640 (0;000) ✗ 27/01/17
TaGaNi2 COD 1522471 Fm-3m (225) ✔ 4 46 3 0.0 0.002 0.249 (1;000) ✗ 27/01/17
VGaNi2 COD 1522462 Fm-3m (225) ✔ 4 46 3 0.0 0.012 0.258 (1;000) ✗ 27/01/17
Ti2GaN ICSD 634721 P6_3/mmc (194) ✔ 8 84 3 0.0 0.001 0.525 (1;000) ✗ 27/01/17
V3GaN ICSD 634723 Cmcm (63) ✔ 10 114 3 0.0 0.000 0.670 (0;110) ✗ 27/01/17
BaMnO3 ICSD 23873 Ccmm (63) ✔ 10 86 1 0.0 0.000 0.352 (0;000) ✗ 06/10/16
YAl3 ICSD 58216 Pm-3m (221) ✔ 4 20 3 0.0 0.000 0.430 (0;111) ✗ 05/01/17
YAl3 ICSD 58220 P6_3/mmc (194) ✔ 8 40 3 0.0 0.010 0.518 (1;000) ✗ 05/01/17
Ga COD 1512506 Cmce (64) ✔ 4 52 3 0.0 0.033 0.187 (1;110) ✗ 27/01/17
GaPd2 COD 1522865 Pnma (62) ✔ 12 196 3 0.0 0.001 0.484 (0;011) ✗ 27/01/17
ScGaPd2 COD 1523491 Fm-3m (225) ✔ 4 60 3 0.0 0.000 0.661 (0;000) ✗ 27/01/17
GaPPd5 ICSD 635043 P4/mmm (123) ✔ 7 108 3 0.0 0.025 0.418 (1;000) ✗ 27/01/17
GaPPt5 ICSD 635044 P4/mmm (123) ✔ 7 68 3 0.0 0.013 0.374 (0;001) ✗ 27/01/17
TiGaPt ICSD 156263 P6_3/mmc (194) ✔ 6 70 3 0.0 0.000 0.920 (0;000) ✗ 27/01/17
ScGa COD 2310243 Cmcm (63) ✔ 4 48 3 0.0 0.003 0.442 (1;000) ✗ 27/01/17
GaSe ICSD 20237 P6_3/mmc (194) ✔ 8 76 2 0.0 0.040 0.118 (0;000) ✗ 27/01/17
BaMnO3 ICSD 24129 Ccmm (63) ✔ 10 86 1 0.0 0.000 0.352 (0;000) ✗ 06/10/16
ZrAl3 COD 2100751 I4/mmm (139) ✔ 8 26 3 0.0 0.005 0.764 (0;000) ✗ 05/01/17
BaAl4 ICSD 57513 I4/mmm (139) ✔ 5 22 3 0.0 0.042 0.115 (1;000) ✗ 05/01/17
Ti2Ga COD 1522382 P6_3/mmc (194) ✔ 6 74 3 0.0 0.000 0.878 (0;000) ✗ 27/01/17
Ti3Ga COD 1523233 P6_3/mmc (194) ✔ 8 98 3 0.0 0.000 0.551 (1;000) ✗ 27/01/17
YGa COD 2310244 Cmcm (63) ✔ 4 48 3 0.0 0.001 0.461 (1;000) ✗ 27/01/17
YZnGa ICSD 635662 P6_3/mmc (194) ✔ 6 72 3 0.0 0.002 0.337 (1;000) ✗ 27/01/17
Zr2Ga COD 1524521 I4/mcm (140) ✔ 6 42 3 0.0 0.000 0.620 (0;111) ✗ 27/01/17
ZrGa COD 1522708 I4_1/amd (141) ✔ 8 68 3 0.0 0.004 0.747 (1;111) ✗ 27/01/17
Hf3Ge2 ICSD 636549 P4/mbm (127) ✔ 10 88 3 0.0 0.007 0.805 (1;001) ✗ 27/01/17
HfGe2 COD 2310673 Cmcm (63) ✔ 6 40 3 0.0 0.016 0.222 (1;000) ✗ 27/01/17
BaMnO3 ICSD 89995 Cmc2_1 (36) ✗ 10 86 1 0.0 0.000 0.358 ? ✗ 06/10/16
Sr(GeIr)2 ICSD 165737 I4/mmm (139) ✔ 5 52 3 0.0 0.043 0.561 (1;111) ✗ 27/01/17
CaAl4 ICSD 606298 I4/mmm (139) ✔ 5 22 3 0.0 0.016 0.183 (1;000) ✗ 05/01/17
Li4ZrGe2 COD 1533277 R-3m (166) ✔ 7 24 1 0.0 0.008 0.572 (1;000) ✗ 27/01/17
Sr(MnGe)2 ICSD 403 I4/mmm (139) ✔ 5 48 3 0.0 0.005 0.746 (0;111) ✗ 27/01/17
Mn(NiGe)2 COD 1524367 Cmcm (63) ✔ 10 86 3 0.0 0.000 0.853 (0;000) ✗ 27/01/17
Ge2Mo COD 1528384 Pnma (62) ✔ 12 88 3 0.0 0.026 0.156 (1;000) ✗ 27/01/17
Sr(NiGe)2 ICSD 165736 I4/mmm (139) ✔ 5 38 3 0.0 0.007 0.715 (0;111) ✗ 27/01/17
NiGe2 ICSD 90341 Cmce (64) ✔ 12 72 3 0.0 0.017 0.540 (0;110) ✗ 27/01/17
SrNiGe2 ICSD 240343 Cmcm (63) ✔ 8 56 3 0.0 0.002 0.634 (0;110) ✗ 27/01/17
YNiGe2 ICSD 637438 Cmcm (63) ✔ 8 58 3 0.0 0.000 0.874 (1;110) ✗ 27/01/17
Ge2Pt3 ICSD 43682 Cmcm (63) ✔ 10 76 3 0.0 0.065 0.572 (0;000) ✗ 27/01/17
Sr(GeRh)2 ICSD 77145 I4/mmm (139) ✔ 5 52 3 0.0 0.024 0.619 (1;111) ✗ 27/01/17
Sr(GeRu)2 ICSD 77144 I4/mmm (139) ✔ 5 50 3 0.0 0.004 0.426 (1;000) ✗ 27/01/17
ScGe2 ICSD 637839 Cmcm (63) ✔ 6 38 3 0.0 0.000 0.820 (0;000) ✗ 27/01/17
SrGe2 COD 7221212 P-3m1 (164) ✔ 3 18 2 0.0 0.082 0.109 (1;001) ✗ 27/01/17
Sr(ZnGe)2 ICSD 411 I4/mmm (139) ✔ 5 42 3 0.0 0.011 0.303 (1;111) ✗ 27/01/17
TiGe2 ICSD 638053 Fddd (70) ✔ 6 40 3 0.0 0.024 0.434 (1;111) ✗ 27/01/17
Ge2W ICSD 9978 I4/mmm (139) ✔ 3 22 3 0.0 0.047 0.375 (0;000) ✗ 27/01/17
YGe2 ICSD 76344 I4_1/amd (141) ✔ 6 38 3 0.0 0.000 0.648 (1;111) ✗ 27/01/17
ZrGe2 COD 2310672 Cmcm (63) ✔ 6 24 3 0.0 0.008 0.223 (1;110) ✗ 27/01/17
SrAl4 ICSD 609418 I4/mmm (139) ✔ 5 22 3 0.0 0.002 0.156 (1;000) ✗ 05/01/17
BaMnO3 ICSD 89996 Ccm2_1 (36) ✗ 10 86 1 0.0 0.000 0.355 (1;100) ✔ 05/12/16
YNiGe3 ICSD 60646 Cmmm (65) ✔ 10 66 3 0.0 0.005 0.846 (1;001) ✗ 27/01/17
VGe3 ICSD 638098 Pm-3n (223) ✔ 8 50 3 0.0 0.000 0.934 (0;000) ✗ 27/01/17
Hf3(NiGe)4 ICSD 86690 Immm (71) ✔ 11 92 3 0.0 0.030 0.168 (1;111) ✗ 27/01/17
Hf(MnGe)6 ICSD 155118 P6/mmm (191) ✔ 13 126 3 0.0 0.000 0.679 (1;000) ✗ 27/01/17
Mg(NiGe)6 ICSD 636950 P6/mmm (191) ✔ 13 94 3 0.0 0.001 0.619 (1;000) ✗ 27/01/17
Zr(MnGe)6 COD 1521308 P6/mmm (191) ✔ 13 118 3 0.0 0.002 0.706 (1;000) ✗ 27/01/17
Hf2Ge ICSD 42524 I4/mcm (140) ✔ 6 56 3 0.0 0.001 0.346 (1;000) ✗ 27/01/17
Hf2Ge ICSD 636554 I4/mcm (140) ✔ 6 56 3 0.0 0.010 0.531 (0;000) ✗ 27/01/17
HfGeIr ICSD 636558 Pnma (62) ✔ 12 132 3 0.0 0.002 0.447 (1;011) ✗ 27/01/17
HfNiGe ICSD 636577 Pnma (62) ✔ 12 104 3 0.0 0.038 0.196 (1;000) ✗ 27/01/17
Al5Fe COD 2101159 Cmcm (63) ✔ 12 46 3 0.0 0.000 0.724 (0;110) ✗ 05/01/17
HfGe COD 9016210 I4_1/amd (141) ✔ 4 32 3 0.0 0.002 0.343 (1;111) ✗ 27/01/17
HfGePt ICSD 86691 Pnma (62) ✔ 12 104 3 0.0 0.029 0.074 (1;000) ✗ 27/01/17
HfGeRh ICSD 636582 Pnma (62) ✔ 12 132 3 0.0 0.001 0.466 (1;011) ✗ 27/01/17
HfGeSe ICSD 25741 P4/nmm (129) ✔ 6 44 3 0.0 0.100 0.171 (0;001) ✗ 27/01/17
HfGeS ICSD 25742 P4/nmm (129) ✔ 6 44 3 0.0 0.090 0.146 (0;001) ✗ 27/01/17
HfGeTe ICSD 25743 P4/nmm (129) ✔ 6 44 3 0.0 0.042 0.058 (0;001) ✗ 27/01/17
HfVGe ICSD 636594 P4/nmm (129) ✔ 6 58 3 0.0 0.000 0.821 (0;000) ✗ 27/01/17
HfVGe ICSD 88211 I4/mmm (139) ✔ 6 58 3 0.0 0.014 0.715 (0;111) ✗ 27/01/17
Li2HgGe ICSD 53646 Fm-3m (225) ✔ 4 22 3 0.0 0.000 0.610 (0;000) ✗ 27/01/17
Ge ICSD 167204 P6_3/mmc (194) ✔ 8 32 3 0.0 0.003 0.030 (0;000) ✗ 27/01/17
Ge ICSD 636533 P6_3/mmc (194) ✔ 4 16 3 0.0 0.016 0.006 (1;000) ✗ 27/01/17
NbGeIr ICSD 411883 Pnma (62) ✔ 12 136 3 0.0 0.016 0.113 (0;000) ✗ 27/01/17
Ge ICSD 173890 Ia3 (206) ✔ 8 32 3 0.0 0.000 0.231 (1;111) ✗ 27/01/17
GeIr COD 9008933 Pnma (62) ✔ 8 84 3 0.0 0.000 0.573 (0;011) ✗ 27/01/17
ScGeIr ICSD 636730 Pnma (62) ✔ 12 128 3 0.0 0.040 0.270 (1;000) ✗ 27/01/17
TiGeIr ICSD 636746 Pnma (62) ✔ 12 132 3 0.0 0.000 0.528 (1;011) ✗ 27/01/17
Li2VGeO5 ICSD 86777 P4/nmm (129) ✔ 18 106 2 0.0 0.000 0.908 (1;000) ✗ 27/01/17
Li2GePd ICSD 53674 Fm-3m (225) ✔ 4 28 3 0.0 0.000 0.863 (1;000) ✗ 27/01/17
Li2ZnGe ICSD 53677 Fm-3m (225) ✔ 4 22 3 0.0 0.000 0.520 (0;000) ✗ 27/01/17
Al5Mo COD 1522873 R-3c (167) ✔ 12 58 3 0.0 0.000 0.712 (0;111) ✗ 05/01/17
Mg2Ge ICSD 636942 Fd-3m (227) ✔ 6 48 3 0.0 0.398 0.458 (0;000) ✗ 27/01/17
HgTe ICSD 639251 P3_221 (154) ✗ 6 54 3 0.0 0.028 0.057 (0;000) ✔ 06/10/16
Mg2Ge COD 9009014 Fm-3m (225) ✔ 3 24 3 0.0 1.011 0.030 (0;000) ✗ 27/01/17
Mg3Ge COD 1524090 P-3 (147) ✔ 8 68 1 0.0 0.000 0.605 (0;000) ✗ 27/01/17
MgMnGe ICSD 66948 P4/nmm (129) ✔ 6 58 3 0.0 0.000 0.890 (0;001) ✗ 27/01/17
MgMnGe ICSD 66953 P4/nmm (129) ✔ 6 58 2 0.0 0.000 0.852 (1;000) ✗ 27/01/17
MgNiGe COD 4335168 Pnma (62) ✔ 12 96 3 0.0 0.032 0.572 (1;000) ✗ 27/01/17
Bi2Pd5 ICSD 58840 C2/m (12) ✔ 14 120 3 0.0 0.026 0.782 (1;000) ✗ 06/10/16
Ca(Al2Fe)4 ICSD 606314 I4/mmm (139) ✔ 13 66 3 0.0 0.002 0.762 (0;000) ✗ 05/01/17
Mn2Ge ICSD 57080 P6_3/mmc (194) ✔ 6 68 3 0.0 0.003 0.727 (0;000) ✗ 27/01/17
Mn2GeO4 COD 9000262 Pbam (55) ✔ 14 116 3 0.0 0.007 0.846 (0;100) ✗ 27/01/17
Mn3Ge ICSD 603343 P6_3/mmc (194) ✔ 8 98 3 0.0 0.000 0.724 (1;000) ✗ 27/01/17
MnNiGe ICSD 41920 Pnma (62) ✔ 12 116 3 0.0 0.000 0.473 (1;011) ✗ 27/01/17
MnNiGe ICSD 637011 P6_3/mmc (194) ✔ 6 58 3 0.0 0.000 0.778 (1;000) ✗ 27/01/17
MnNiGe ICSD 637029 P6_3/mmc (194) ✔ 6 58 3 0.0 0.000 0.712 (1;000) ✗ 27/01/17
MnGeO3 ICSD 73247 R-3 (148) ✔ 10 74 3 0.0 0.027 0.326 (1;111) ✗ 27/01/17
SrMnGe ICSD 66960 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.761 (0;000) ✗ 27/01/17
SrMnGe COD 9008360 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.830 (1;000) ✗ 27/01/17
GeMo3 ICSD 637137 Pm-3n (223) ✔ 8 92 3 0.0 0.000 0.856 (0;111) ✗ 27/01/17
Na2ZnGe COD 2212047 Cmcm (63) ✔ 8 68 1 0.0 0.008 0.168 (1;110) ✗ 27/01/17
Pb ICSD 36296 P4_2/mbc (135) ✔ 12 168 2 0.0 0.002 0.522 (0;000) ✗ 02/02/17
Nb3Ge ICSD 637221 Pm-3n (223) ✔ 8 86 3 0.0 0.000 0.867 (1;000) ✗ 27/01/17
NbNiGe ICSD 637228 Pnma (62) ✔ 12 108 3 0.0 0.001 0.386 (1;011) ✗ 27/01/17
NbGePt ICSD 186940 Pnma (62) ✔ 12 108 3 0.0 0.000 0.312 (1;011) ✗ 27/01/17
NbGeRh ICSD 637230 Pnma (62) ✔ 12 136 3 0.0 0.030 0.140 (1;000) ✗ 27/01/17
NbGeSb ICSD 637231 P4/nmm (129) ✔ 6 44 2 0.0 0.027 0.169 (0;001) ✗ 27/01/17
Ni2Ge ICSD 53743 Pnma (62) ✔ 12 96 3 0.0 0.014 0.457 (0;000) ✗ 27/01/17
Ni2Ge ICSD 637363 P6_3/mmc (194) ✔ 6 48 3 0.0 0.001 0.723 (0;000) ✗ 27/01/17
Ni2GeO4 ICSD 69508 Fd-3m (227) ✔ 14 96 3 0.0 0.000 0.756 (0;000) ✗ 27/01/17
SrNi2Ge ICSD 419659 P6_3/mmc (194) ✔ 8 68 3 0.0 0.016 0.500 (0;000) ✗ 27/01/17
ZnNi2Ge ICSD 53865 Fm-3m (225) ✔ 4 36 3 0.0 0.002 0.896 (1;000) ✗ 27/01/17
Ni3Ge ICSD 637364 Pm-3m (221) ✔ 4 34 3 0.0 0.074 0.311 (0;111) ✗ 27/01/17
NiGe COD 9008935 Pnma (62) ✔ 8 56 3 0.0 0.050 0.367 (0;000) ✗ 27/01/17
NiGePd ICSD 87913 P4/nmm (129) ✔ 6 64 3 0.0 0.022 0.282 (1;000) ✗ 27/01/17
NiGePt2 ICSD 87348 Fmmm (69) ✔ 8 68 3 0.0 0.025 0.298 (0;000) ✗ 27/01/17
ScNiGe ICSD 86365 Pnma (62) ✔ 12 100 3 0.0 0.001 0.703 (0;011) ✗ 27/01/17
TaNiGe ICSD 53861 Pnma (62) ✔ 12 108 3 0.0 0.002 0.417 (1;011) ✗ 27/01/17
TiNiGe ICSD 53862 Pnma (62) ✔ 12 104 3 0.0 0.003 0.142 (1;000) ✗ 27/01/17
VNiGe ICSD 637435 Pnma (62) ✔ 12 108 3 0.0 0.000 0.349 (1;011) ✗ 27/01/17
ZrNiGe ICSD 637451 Pnma (62) ✔ 12 72 3 0.0 0.020 0.122 (1;000) ✗ 27/01/17
V3GeN ICSD 637164 Cmcm (63) ✔ 10 96 3 0.0 0.007 0.518 (0;000) ✗ 27/01/17
GeO2 COD 1525833 Pbcn (60) ✔ 12 64 3 0.0 0.023 0.046 (0;000) ✗ 27/01/17
Hf(Al2Fe)4 ICSD 607535 I4/mmm (139) ✔ 13 68 3 0.0 0.009 0.814 (0;000) ✗ 05/01/17
Zr(Al2Fe)4 ICSD 607756 I4/mmm (139) ✔ 13 60 3 0.0 0.002 0.720 (0;000) ✗ 05/01/17
O2 ICSD 99593 P2/m (10) ✔ 1 6 1 0.0 0.034 0.399 (0;000) ✗ 27/01/17
Bi2Pt ICSD 42567 Pa3 (205) ✔ 12 80 3 0.0 0.008 0.123 (0;000) ✗ 06/10/16
Al8Mo3 ICSD 58002 C2/m (12) ✔ 11 66 3 0.0 0.020 0.060 (0;000) ✗ 05/01/17
AlAs ICSD 56967 P6_3/mmc (194) ✔ 4 16 3 0.0 1.384 0.282 (0;000) ✗ 05/01/17
AlAu2 ICSD 57496 Pnma (62) ✔ 12 100 3 0.0 0.006 0.372 (0;011) ✗ 05/01/17
Bi2Pt ICSD 58846 Pbca (61) ✔ 24 160 3 0.0 0.018 0.258 (1;000) ✗ 06/10/16
Ge COD 9013109 Cmce (64) ✔ 8 32 3 0.0 0.011 0.466 (1;000) ✗ 27/01/17
GeP3 COD 1527464 R-3m (166) ✔ 8 38 1 0.0 0.017 0.480 (1;111) ✗ 27/01/17
GePd COD 9008936 Pnma (62) ✔ 8 88 3 0.0 0.052 0.398 (0;000) ✗ 27/01/17
TiGePd ICSD 409926 Pnma (62) ✔ 12 136 3 0.0 0.011 0.069 (1;000) ✗ 27/01/17
GePt3 ICSD 77962 I4/mcm (140) ✔ 8 68 3 0.0 0.002 0.133 (0;000) ✗ 27/01/17
GePt COD 9008939 Pnma (62) ✔ 8 56 3 0.0 0.080 0.298 (0;000) ✗ 27/01/17
GeRh2 COD 9009208 Pnma (62) ✔ 12 152 3 0.0 0.012 0.290 (0;000) ✗ 27/01/17
GeRh COD 9008941 Pnma (62) ✔ 8 84 3 0.0 0.005 0.264 (0;011) ✗ 27/01/17
ScGeRh ICSD 637682 Pnma (62) ✔ 12 128 3 0.0 0.001 0.452 (1;000) ✗ 27/01/17
TaGeRh ICSD 421092 Pnma (62) ✔ 12 136 3 0.0 0.030 0.157 (1;000) ✗ 27/01/17
ZrGeRh ICSD 637737 Pnma (62) ✔ 12 100 3 0.0 0.000 0.571 (1;011) ✗ 27/01/17
TiGeSb COD 2223219 P4/nmm (129) ✔ 6 42 3 0.0 0.000 0.901 (1;000) ✗ 27/01/17
ZrGeSb ICSD 85000 P4/nmm (129) ✔ 6 26 3 0.0 0.000 0.893 (0;001) ✗ 27/01/17
ScGe ICSD 637841 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.726 (0;110) ✗ 27/01/17
MnAlAu2 ICSD 57504 Fm-3m (225) ✔ 4 40 3 0.0 0.022 0.404 (1;000) ✗ 05/01/17
ScAlAu2 ICSD 57505 Fm-3m (225) ✔ 4 36 3 0.0 0.059 0.379 (0;000) ✗ 05/01/17
ZrGeSe COD 1527644 P4/nmm (129) ✔ 6 28 3 0.0 0.043 0.109 (0;001) ✗ 27/01/17
GeS COD 1010649 Pnma (62) ✔ 8 40 1 0.0 0.219 0.103 (0;000) ✗ 27/01/17
AlAu COD 1523318 P2_1/m (11) ✔ 8 56 3 0.0 0.126 0.308 (1;000) ✗ 05/01/17
SrGe ICSD 52703 Cmcm (63) ✔ 4 28 1 0.0 0.044 0.168 (0;110) ✗ 27/01/17
ZrGeS COD 1527643 P4/nmm (129) ✔ 6 28 3 0.0 0.043 0.130 (0;001) ✗ 27/01/17
Bi2Pt ICSD 58847 P-3 (147) ✔ 9 120 2 0.0 0.131 0.351 (0;001) ✗ 02/02/17
ZrGeTe COD 1527645 P4/nmm (129) ✔ 6 28 3 0.0 0.015 0.121 (0;001) ✗ 27/01/17
YTiGe COD 1521601 P4/nmm (129) ✔ 6 54 3 0.0 0.000 0.648 (0;001) ✗ 27/01/17
YTiGe COD 1521602 I4/mmm (139) ✔ 6 54 3 0.0 0.005 0.728 (0;000) ✗ 27/01/17
V3Ge ICSD 603983 Pm-3n (223) ✔ 8 86 3 0.0 0.000 0.863 (1;000) ✗ 27/01/17
ZrVGe ICSD 88210 I4/mmm (139) ✔ 6 42 3 0.0 0.014 0.710 (0;111) ✗ 27/01/17
YGe ICSD 638143 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.745 (0;110) ✗ 27/01/17
ZrGe ICSD 638161 Pnma (62) ✔ 8 32 3 0.0 0.019 0.088 (1;000) ✗ 27/01/17
Hf2H2Pd ICSD 638175 I4/mmm (139) ✔ 5 44 3 0.0 0.016 0.507 (0;111) ✗ 27/01/17
BaTiO3 ICSD 154346 C2mm (38) ✗ 5 40 3 0.0 0.012 0.529 (0;110) ✔ 28/11/16
TiAlAu ICSD 57506 P6_3/mmc (194) ✔ 6 52 3 0.0 0.011 0.745 (1;000) ✗ 05/01/17
BaTiO3 ICSD 161341 C2mm (38) ✗ 5 40 3 0.0 0.002 0.621 (1;011) ✔ 06/10/16
Li2H2Pd ICSD 108534 I4/mmm (139) ✔ 5 26 2 0.0 0.020 0.279 (0;111) ✗ 27/01/17
AlBMo COD 1528606 Cmcm (63) ✔ 6 40 3 0.0 0.020 0.209 (1;110) ✗ 05/01/17
TaN ICSD 290395 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.080 (1;100) ✔ 04/10/16
Mg2NiH2 ICSD 600055 C2/m (12) ✔ 10 64 3 0.0 0.011 0.762 (1;000) ✗ 27/01/17
RbBi2 ICSD 150969 Fd-3m (227) ✔ 6 78 3 0.0 0.000 0.801 (0;000) ✗ 02/02/17
Na2H2Pd ICSD 68071 I4/mmm (139) ✔ 5 38 2 0.0 0.385 0.251 (0;000) ✗ 27/01/17
Bi2Rh ICSD 43503 P2_1/c (14) ✔ 12 188 3 0.0 0.014 0.221 (0;101) ✗ 02/02/17
BaTiO3 ICSD 161419 C2mm (38) ✗ 5 40 3 0.0 0.012 0.481 (0;000) ✔ 06/10/16
AlCl3 ICSD 155670 P-3m1 (164) ✔ 4 24 2 0.0 0.005 0.562 (0;000) ✗ 05/01/17
MnAlCo2 ICSD 606611 Fm-3m (225) ✔ 4 52 3 0.0 0.007 0.260 (0;000) ✗ 05/01/17
NbAlCo2 ICSD 606622 Fm-3m (225) ✔ 4 50 3 0.0 0.000 0.686 (1;000) ✗ 05/01/17
TaAlCo2 ICSD 57634 Fm-3m (225) ✔ 4 50 3 0.0 0.000 0.645 (1;000) ✗ 05/01/17
AlVCo2 ICSD 606704 Fm-3m (225) ✔ 4 50 3 0.0 0.000 0.658 (1;000) ✗ 05/01/17
MnAlCu2 COD 5910083 Fm-3m (225) ✔ 4 40 3 0.0 0.031 0.192 (1;000) ✗ 05/01/17
Al(ReCu)2 ICSD 57706 P4/mbm (127) ✔ 10 110 3 0.0 0.000 0.822 (1;000) ✗ 05/01/17
ScAlCu2 ICSD 57709 Fm-3m (225) ✔ 4 36 3 0.0 0.015 0.236 (1;000) ✗ 05/01/17
AlCu3 ICSD 150823 Fm-3m (225) ✔ 4 36 3 0.0 0.000 0.879 (0;000) ✗ 05/01/17
MnH2SO5 COD 9009369 C2/c (15) ✔ 18 106 3 0.0 0.000 0.292 (1;100) ✗ 27/01/17
AlCu ICSD 653749 C2/m (12) ✔ 10 70 3 0.0 0.007 0.723 (0;110) ✗ 05/01/17
Ni(HO)2 ICSD 28101 P-3m1 (164) ✔ 5 24 2 0.0 0.031 0.501 (0;000) ✗ 27/01/17
NiH2SeO5 ICSD 39886 C2/c (15) ✔ 18 96 3 0.0 0.008 0.725 (0;000) ✗ 27/01/17
NiH2SO5 COD 9009372 C2/c (15) ✔ 18 96 3 0.0 0.012 0.578 (0;000) ✗ 27/01/17
BiSe ICSD 20458 P-3m1 (164) ✔ 12 66 2 0.0 0.063 0.011 (0;001) ✗ 06/10/16
AlCuPt2 ICSD 107788 P4/mmm (123) ✔ 4 34 3 0.0 0.101 0.248 (1;111) ✗ 05/01/17
PH2NO2 ICSD 26929 Cmme (67) ✔ 12 48 1 0.0 0.006 0.301 (0;000) ✗ 27/01/17
VH2O3 ICSD 16727 C2/c (15) ✔ 12 66 2 0.0 0.000 0.336 (1;101) ✗ 27/01/17
AlNF4 COD 9016185 I4/mcm (140) ✔ 12 72 2 0.0 0.002 0.137 (0;000) ✗ 05/01/17
AlTlF4 COD 1000410 C2/c (15) ✔ 12 88 2 0.0 0.083 0.654 (1;110) ✗ 05/01/17
AlFeF5 COD 1000363 Immm (71) ✔ 7 46 3 0.0 0.098 0.084 (0;000) ✗ 05/01/17
V2H2O5 ICSD 260368 C2/m (12) ✔ 9 58 3 0.0 0.002 0.176 (0;000) ✗ 27/01/17
TiI3 ICSD 422870 Cm2m (38) ✗ 8 66 1 0.0 0.009 0.345 (0;000) ✔ 06/10/16
Zr2H2Pd ICSD 638425 I4/mmm (139) ✔ 5 28 3 0.0 0.009 0.535 (0;111) ✗ 27/01/17
H2Se ICSD 24584 Fm-3m (225) ✔ 3 8 1 0.0 0.000 0.366 (0;000) ✗ 27/01/17
ZrI3 ICSD 74648 Cm2m (38) ✗ 8 66 1 0.0 0.085 0.322 (0;000) ✔ 06/10/16
MnAlF5 COD 1000348 Cmcm (63) ✔ 14 106 3 0.0 0.000 0.396 (0;000) ✗ 05/01/17
LiAlPdF6 ICSD 73132 P-31c (163) ✔ 18 132 3 0.0 0.002 0.052 (0;000) ✗ 05/01/17
TiH2 ICSD 166235 Fm-3m (225) ✔ 3 14 3 0.0 0.016 0.315 (1;000) ✗ 27/01/17
TiH2 ICSD 169609 I4/mmm (139) ✔ 3 14 3 0.0 0.017 0.130 (1;000) ✗ 27/01/17
ZrH2 ICSD 164605 Fm-3m (225) ✔ 3 6 3 0.0 0.000 0.293 (0;000) ✗ 27/01/17
Al(NF2)3 COD 9015240 Fm-3m (225) ✔ 10 60 1 0.0 0.002 0.394 (1;000) ✗ 05/01/17
ZrBi2 ICSD 42880 Pmnn (58) ✔ 24 112 3 0.0 0.026 0.279 (0;000) ✗ 06/10/16
SrLiH3 ICSD 23978 Pm-3m (221) ✔ 5 16 1 0.0 0.157 0.120 (0;000) ✗ 27/01/17
ZrNiH3 ICSD 43277 Cmcm (63) ✔ 10 34 3 0.0 0.000 0.657 (1;110) ✗ 27/01/17
MnAlFe2 ICSD 57806 Fm-3m (225) ✔ 4 34 3 0.0 0.000 0.764 (1;000) ✗ 05/01/17
Al(FeO2)2 ICSD 76977 Fd-3m (227) ✔ 14 86 3 0.0 0.000 0.500 (1;000) ✗ 05/01/17
AlVFe2 ICSD 57833 Fm-3m (225) ✔ 4 32 3 0.0 0.129 0.096 (0;000) ✗ 05/01/17
CoBi3 ICSD 236383 Pmnb (62) ✔ 16 96 3 0.0 0.031 0.777 (1;000) ✗ 06/10/16
MnAlGe COD 9008318 P4/nmm (129) ✔ 6 44 3 0.0 0.005 0.212 (0;001) ✗ 05/01/17
BaWO4 ICSD 155515 Ccm2_1 (36) ✗ 12 96 2 0.0 0.175 1.000 (0;000) ✔ 06/10/16
NaAlGe COD 7221266 P4/nmm (129) ✔ 6 32 1 0.0 0.008 0.128 (0;000) ✗ 05/01/17
ScAlGe ICSD 608009 Cmcm (63) ✔ 6 36 3 0.0 0.009 0.328 (0;110) ✗ 05/01/17
SrNi2P2(H2O5)2 ICSD 261127 C2/m (12) ✔ 19 104 3 0.0 0.004 0.488 (0;000) ✗ 27/01/17
InN ICSD 157514 F-43m (216) ✗ 2 18 3 0.0 0.000 0.007 (1;000) ✔ 06/10/16
Li4H5Rh ICSD 26225 Cmcm (63) ✔ 20 68 1 0.0 0.040 0.723 (0;110) ✗ 27/01/17
In5Bi3 ICSD 1244 I4/mcm (140) ✔ 16 160 3 0.0 0.027 0.678 (1;000) ✗ 06/10/16
BaTiS3 ICSD 18201 Ccmm (63) ✔ 10 80 1 0.0 0.022 0.149 (0;000) ✗ 06/10/16
YAlGe COD 9007848 Cmcm (63) ✔ 6 36 3 0.0 0.021 0.319 (0;110) ✗ 05/01/17
BaVS3 ICSD 154182 Ccm2_1 (36) ✗ 10 82 1 0.0 0.000 0.545 (0;011) ✔ 05/12/16
La5Bi3 ICSD 616760 P6_3/mcm (193) ✔ 16 60 3 0.0 0.001 0.649 (0;000) ✗ 06/10/16
BaVS3 ICSD 154183 Cm (8) ✗ 10 82 1 0.0 0.004 0.574 ? ✗ 06/10/16
Hf2Al ICSD 608076 I4/mcm (140) ✔ 6 54 3 0.0 0.001 0.696 (0;111) ✗ 05/01/17
Hf3AlN ICSD 602284 Cmcm (63) ✔ 10 88 3 0.0 0.002 0.945 (1;000) ✗ 05/01/17
BaVS3 ICSD 154184 Cm (8) ✗ 10 82 1 0.0 0.002 0.581 ? ✗ 06/10/16
HfAlPt2 ICSD 608138 P6_3/mmc (194) ✔ 8 70 3 0.0 0.000 0.937 (0;000) ✗ 05/01/17
Hf2Hg ICSD 638564 I4/mmm (139) ✔ 3 36 3 0.0 0.039 0.526 (0;111) ✗ 27/01/17
NiBi3 ICSD 180771 Pmnb (62) ✔ 16 100 3 0.0 0.003 0.726 (0;011) ✗ 06/10/16
BaVS3 ICSD 52692 Ccm2_1 (36) ✗ 10 82 1 0.0 0.000 0.497 ? ✗ 06/10/16
Hf2Ni2Sn ICSD 107096 P4/mbm (127) ✔ 10 116 3 0.0 0.001 0.879 (0;001) ✗ 27/01/17
Hf2Ni COD 1524523 I4/mcm (140) ✔ 6 68 3 0.0 0.007 0.154 (1;111) ✗ 27/01/17
Hf2NiP ICSD 405616 P2_1/m (11) ✔ 8 78 3 0.0 0.000 0.949 (0;000) ✗ 27/01/17
Hf2Pd COD 1522586 I4/mmm (139) ✔ 3 42 3 0.0 0.042 0.548 (1;111) ✗ 27/01/17
Hf2Pt3 ICSD 190810 I4/mmm (139) ✔ 5 54 3 0.0 0.004 0.850 (0;111) ✗ 27/01/17
Hf2S ICSD 43203 P6_3/mmc (194) ✔ 6 60 3 0.0 0.002 0.476 (0;000) ✗ 27/01/17
Hf2Si ICSD 42523 I4/mcm (140) ✔ 6 56 3 0.0 0.011 0.330 (1;000) ✗ 27/01/17
Hf2Zn ICSD 639016 I4/mmm (139) ✔ 3 36 3 0.0 0.056 0.428 (0;111) ✗ 27/01/17
Hf3Si2 ICSD 53041 P4/mbm (127) ✔ 10 88 3 0.0 0.002 0.762 (1;001) ✗ 27/01/17
Hf3Te2 ICSD 75936 I4/mmm (139) ✔ 5 48 2 0.0 0.011 0.811 (0;000) ✗ 27/01/17
Hf ICSD 76412 Im-3m (229) ✔ 1 12 3 0.0 0.000 0.525 (0;000) ✗ 27/01/17
HfSiIr ICSD 638584 Pnma (62) ✔ 12 132 3 0.0 0.001 0.481 (1;011) ✗ 27/01/17
HfMn2 COD 1523075 P6_3/mmc (194) ✔ 12 168 3 0.0 0.001 0.941 (0;000) ✗ 27/01/17
HfMnSi ICSD 53024 Pnma (62) ✔ 12 124 3 0.0 0.001 0.695 (1;011) ✗ 27/01/17
HfMo2 COD 1522747 Fd-3m (227) ✔ 6 80 3 0.0 0.000 0.691 (0;000) ✗ 27/01/17
HfSiMo ICSD 638634 Pnma (62) ✔ 12 120 3 0.0 0.027 0.407 (0;000) ✗ 27/01/17
FeBiO3 ICSD 180504 R3c (161) ✗ 10 62 3 0.0 0.000 0.520 ? ✗ 06/10/16
HfNi2 COD 1522692 Fd-3m (227) ✔ 6 64 3 0.0 0.004 0.403 (0;000) ✗ 27/01/17
HfNi2Sb ICSD 638718 P6_3/mmc (194) ✔ 8 74 3 0.0 0.000 0.873 (0;000) ✗ 27/01/17
Hf(SiNi)2 ICSD 638721 I4/mmm (139) ✔ 5 40 3 0.0 0.013 0.559 (0;000) ✗ 27/01/17
HfNi2Sn COD 1523151 Fm-3m (225) ✔ 4 46 3 0.0 0.010 0.231 (1;000) ✗ 27/01/17
HfNi3 ICSD 638697 R-3m (166) ✔ 12 126 3 0.0 0.147 0.426 (0;111) ✗ 27/01/17
Hf(Ni2P)2 ICSD 638711 P4_2/mnm (136) ✔ 14 124 3 0.0 0.014 0.579 (1;000) ✗ 27/01/17
HfNiP ICSD 638712 Pnma (62) ✔ 12 108 3 0.0 0.001 0.313 (0;011) ✗ 27/01/17
HfSiNi ICSD 638723 Pnma (62) ✔ 12 104 3 0.0 0.016 0.090 (1;000) ✗ 27/01/17
Bi3Rh ICSD 58853 Pnma (62) ✔ 16 248 3 0.0 0.035 0.750 (0;000) ✗ 02/02/17
BaVS3 ICSD 616099 Ccm2_1 (36) ✗ 10 82 1 0.0 0.000 0.542 ? ✗ 06/10/16
LiAl ICSD 262069 P6_3/mmc (194) ✔ 8 24 1 0.0 0.000 0.353 (0;000) ✗ 05/01/17
BaVS3 ICSD 63229 Ccm2_1 (36) ✗ 10 82 1 0.0 0.000 0.538 ? ✗ 06/10/16
LiAl ICSD 608345 Fd-3m (227) ✔ 4 12 3 0.0 0.458 0.208 (0;000) ✗ 05/01/17
NbAs2 ICSD 81218 C2/m (12) ✔ 6 46 3 0.0 0.025 0.093 (0;100) ✔ 04/10/16
BaAs3 ICSD 86402 C2/m (12) ✔ 8 50 1 0.0 0.032 0.224 (1;001) ✔ 30/01/17
Hf COD 1512510 P6_3/mmc (194) ✔ 2 24 3 0.0 0.007 0.362 (1;000) ✗ 27/01/17
HfOs2 ICSD 638749 P6_3/mmc (194) ✔ 12 176 3 0.0 0.001 0.573 (0;000) ✗ 27/01/17
HfOs COD 1523505 Pm-3m (221) ✔ 2 28 3 0.0 0.025 0.208 (0;111) ✗ 27/01/17
HfSiPd COD 1522279 Pnma (62) ✔ 12 136 3 0.0 0.035 0.132 (1;000) ✗ 27/01/17
HfPt COD 1522741 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.755 (0;111) ✗ 27/01/17
HfSiPt COD 1522277 Pnma (62) ✔ 12 104 3 0.0 0.012 0.101 (1;000) ✗ 27/01/17
HfVP ICSD 656389 Pnma (62) ✔ 12 120 3 0.0 0.008 0.370 (0;000) ✗ 27/01/17
HfSiRh ICSD 68790 Pnma (62) ✔ 12 132 3 0.0 0.001 0.538 (1;011) ✗ 27/01/17
HfRu COD 1523508 Pm-3m (221) ✔ 2 28 3 0.0 0.023 0.253 (0;000) ✗ 27/01/17
As4C3 ICSD 163831 P-42m (111) ✗ 7 32 3 0.0 0.031 0.179 (0;000) ✔ 04/10/16
HfS3 ICSD 638846 P2_1/m (11) ✔ 8 60 2 0.0 0.056 0.282 (1;010) ✗ 27/01/17
HfSb2 ICSD 638876 P4/nmm (129) ✔ 6 44 3 0.0 0.041 0.267 (1;000) ✗ 27/01/17
ReN2 ICSD 187447 Cm (8) ✗ 6 50 2 0.0 0.057 0.306 (1;111) ✔ 04/10/16
HfSiSe ICSD 25736 P4/nmm (129) ✔ 6 44 3 0.0 0.041 0.134 (0;001) ✗ 27/01/17
HfSi2 ICSD 638917 Cmcm (63) ✔ 6 40 3 0.0 0.065 0.327 (1;000) ✗ 27/01/17
HfSiTe ICSD 25737 P4/nmm (129) ✔ 6 44 2 0.0 0.031 0.167 (0;001) ✗ 27/01/17
HfVSi ICSD 638931 P4/nmm (129) ✔ 6 58 3 0.0 0.000 0.815 (0;000) ✗ 27/01/17
HfSiS ICSD 25735 P4/nmm (129) ✔ 6 44 3 0.0 0.101 0.125 (0;001) ✗ 27/01/17
HfTe2 ICSD 603713 P-3m1 (164) ✔ 3 24 2 0.0 0.022 0.297 (1;000) ✗ 27/01/17
HfV2 COD 1522805 Fd-3m (227) ✔ 6 76 3 0.0 0.000 0.732 (0;000) ✗ 27/01/17
HfW2 ICSD 639012 Fd-3m (227) ✔ 6 80 3 0.0 0.000 0.639 (0;000) ✗ 27/01/17
HfZn2 COD 7221109 Fd-3m (227) ✔ 6 72 3 0.0 0.000 0.870 (0;000) ✗ 27/01/17
Sr(InHg)2 ICSD 427211 I4/mmm (139) ✔ 5 60 3 0.0 0.032 0.716 (1;000) ✗ 27/01/17
KHg2 COD 2310180 Imma (74) ✔ 6 66 3 0.0 0.001 0.655 (0;100) ✗ 27/01/17
MgHg2 COD 1523296 I4/mmm (139) ✔ 3 34 3 0.0 0.022 0.609 (1;000) ✗ 27/01/17
Hg2Pt COD 1523216 P4/mmm (123) ✔ 3 34 3 0.0 0.007 0.690 (0;111) ✗ 27/01/17
SrHg2 COD 1523311 Imma (74) ✔ 6 68 3 0.0 0.050 0.437 (0;111) ✗ 27/01/17
SrHg2 COD 1523858 P6/mmm (191) ✔ 3 34 3 0.0 0.000 0.533 (0;000) ✗ 27/01/17
LiHg3 ICSD 639074 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.893 (0;000) ✗ 27/01/17
ScHg3 COD 1522353 P6_3/mmc (194) ✔ 8 94 3 0.0 0.000 0.741 (0;000) ✗ 27/01/17
YHg3 COD 1522354 P6_3/mmc (194) ✔ 8 94 3 0.0 0.000 0.689 (0;000) ✗ 27/01/17
ZrHg3 COD 1522700 Pm-3m (221) ✔ 4 40 3 0.0 0.000 0.688 (1;111) ✗ 27/01/17
Hg ICSD 157861 C2/m (12) ✔ 3 36 3 0.0 0.036 0.401 (1;000) ✗ 27/01/17
Hg ICSD 25364 P6/mmm (191) ✔ 3 36 3 0.0 0.020 0.573 (0;001) ✗ 27/01/17
Hg ICSD 43558 I4/mmm (139) ✔ 1 12 3 0.0 0.043 0.465 (1;111) ✗ 27/01/17
InN ICSD 181366 P6_3mc (186) ✗ 4 36 3 0.0 0.003 0.008 (1;000) ✔ 06/10/16
Hg ICSD 174005 R-3m (166) ✔ 1 12 3 0.0 0.032 0.397 (1;000) ✗ 27/01/17
Mg3Hg COD 1523297 P6_3/mmc (194) ✔ 8 84 3 0.0 0.023 0.588 (1;000) ✗ 27/01/17
MgHg COD 9008819 Pm-3m (221) ✔ 2 22 3 0.0 0.351 0.605 (0;000) ✗ 27/01/17
Sr2Bi3 ICSD 106329 Pcnn (52) ✔ 20 140 2 0.0 0.007 0.673 (1;110) ✗ 06/10/16
RbHg(NO2)3 COD 1010349 Pm3 (200) ✔ 11 72 3 0.0 0.000 0.787 (1;000) ✗ 27/01/17
TlHg(NO2)3 COD 1010351 Pm3 (200) ✔ 11 76 3 0.0 0.000 0.952 (0;111) ✗ 27/01/17
Sr5Bi3 ICSD 41838 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.580 (1;000) ✗ 06/10/16
BaVS3 ICSD 63230 C222_1 (20) ✗ 10 82 1 0.0 0.001 0.388 ? ✗ 06/10/16
Mn2AlV ICSD 57994 Fm-3m (225) ✔ 4 46 3 0.0 0.007 0.684 (1;000) ✗ 05/01/17
NiHg COD 7221237 P4/mmm (123) ✔ 2 22 3 0.0 0.006 0.723 (0;000) ✗ 27/01/17
MnAlNi2 ICSD 608488 Fm-3m (225) ✔ 4 38 3 0.0 0.000 0.638 (0;000) ✗ 05/01/17
MnAlPd2 ICSD 57981 Fm-3m (225) ✔ 4 54 3 0.0 0.000 0.572 (0;000) ✗ 05/01/17
MnAlPt2 ICSD 57985 Fm-3m (225) ✔ 4 38 3 0.0 0.000 0.570 (0;000) ✗ 05/01/17
MnAlPt ICSD 57984 P6_3/mmc (194) ✔ 6 56 3 0.0 0.002 0.466 (0;000) ✗ 05/01/17
SnHgO3 ICSD 260029 R-3c (167) ✔ 10 88 3 0.0 0.043 0.012 (0;000) ✗ 27/01/17
LiHPd ICSD 246613 P4/mmm (123) ✔ 3 22 2 0.0 0.020 0.495 (1;000) ✗ 27/01/17
MnAlRh2 ICSD 57986 Fm-3m (225) ✔ 4 52 3 0.0 0.003 0.220 (0;000) ✗ 05/01/17
Bi4Se3 ICSD 20319 R-3m (166) ✔ 7 38 2 0.0 0.081 0.168 (0;111) ✗ 06/10/16
Hg COD 1512511 Im-3m (229) ✔ 1 12 3 0.0 0.588 0.248 (0;000) ✗ 27/01/17
AlMo3 ICSD 57999 Pm-3n (223) ✔ 8 90 3 0.0 0.000 0.955 (1;000) ✗ 05/01/17
HgPd5Se ICSD 639142 P4/mmm (123) ✔ 7 108 3 0.0 0.006 0.500 (1;000) ✗ 27/01/17
HgPd COD 9004221 P4/mmm (123) ✔ 2 30 3 0.0 0.003 0.522 (1;000) ✗ 27/01/17
HgPt3 ICSD 24930 Cmmm (65) ✔ 4 42 3 0.0 0.014 0.828 (1;111) ✗ 27/01/17
HgPt3 ICSD 639147 Pm-3m (221) ✔ 4 42 3 0.0 0.000 0.463 (1;000) ✗ 27/01/17
HgPt COD 1523215 P4/mmm (123) ✔ 2 22 3 0.0 0.012 0.515 (0;000) ✗ 27/01/17
HgSe ICSD 56210 Fm-3m (225) ✔ 2 18 3 0.0 0.779 0.318 (0;000) ✗ 27/01/17
HgS COD 9000004 R-3m (166) ✔ 2 18 3 0.0 0.083 0.269 (1;000) ✗ 27/01/17
SrHg COD 1523313 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.531 (1;000) ✗ 27/01/17
HgTe COD 1010537 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.386 (0;000) ✗ 27/01/17
Ti3Hg COD 1522698 Pm-3m (221) ✔ 4 48 3 0.0 0.014 0.459 (1;000) ✗ 27/01/17
Ti3Hg COD 1523041 Pm-3n (223) ✔ 8 96 3 0.0 0.009 0.349 (1;000) ✗ 27/01/17
TiHg COD 1522697 P4/mmm (123) ✔ 2 24 3 0.0 0.011 0.422 (1;111) ✗ 27/01/17
Zr3Hg ICSD 104375 Pm-3n (223) ✔ 8 48 3 0.0 0.009 0.473 (1;000) ✗ 27/01/17
ZrHg COD 1522699 P4/mmm (123) ✔ 2 16 3 0.0 0.021 0.404 (1;001) ✗ 27/01/17
H2 ICSD 28344 P6_3/mmc (194) ✔ 2 2 1 0.0 0.000 0.621 (1;000) ✗ 27/01/17
NaAlSi COD 7221265 P4/nmm (129) ✔ 6 32 1 0.0 0.002 0.188 (0;000) ✗ 05/01/17
CrBiO3 ICSD 246425 R3c (161) ✗ 10 74 3 0.0 0.000 0.595 ? ✗ 06/10/16
Nb3Al ICSD 608653 Pm-3n (223) ✔ 8 84 3 0.0 0.012 0.550 (0;000) ✗ 05/01/17
LiHO2 ICSD 27761 C2/m (12) ✔ 8 32 1 0.0 0.008 0.718 (1;111) ✗ 27/01/17
NbAlNi2 ICSD 58016 Fm-3m (225) ✔ 4 36 3 0.0 0.014 0.246 (1;000) ✗ 05/01/17
NbAlRu2 COD 1523383 Fm-3m (225) ✔ 4 48 3 0.0 0.000 0.145 (1;000) ✗ 05/01/17
InSb ICSD 10021 Pm2m (25) ✗ 2 18 3 0.0 0.061 0.615 (0;001) ✔ 06/10/16
MnH ICSD 108535 P6_3/mmc (194) ✔ 4 32 3 0.0 0.001 0.817 (0;000) ✗ 27/01/17
MnHO2 COD 9009773 Pnma (62) ✔ 16 112 3 0.0 0.030 0.465 (0;000) ✗ 27/01/17
MoH ICSD 108537 P6_3/mmc (194) ✔ 4 30 3 0.0 0.000 0.834 (0;000) ✗ 27/01/17
Bi4Te3 ICSD 30526 R-3m (166) ✔ 7 78 0 0.0 0.012 0.112 (0;111) ✗ 06/10/16
CaCdGe ICSD 52750 P-62m (189) ✗ 9 78 3 0.0 0.026 0.212 (1;000) ✔ 05/12/16
ScAlNi2 ICSD 58050 Fm-3m (225) ✔ 4 34 3 0.0 0.000 0.637 (0;000) ✗ 05/01/17
TaAlNi2 ICSD 608870 Fm-3m (225) ✔ 4 36 3 0.0 0.000 0.260 (1;000) ✗ 05/01/17
H2 COD 9012915 P6_3/mmc (194) ✔ 2 2 1 0.0 0.000 0.699 (1;000) ✗ 27/01/17
FeBiO3 ICSD 109370 R3c (161) ✗ 10 62 3 0.0 0.000 0.508 ? ✗ 06/10/16
TlHPd3 ICSD 247273 Pm-3m (221) ✔ 5 68 3 0.0 0.146 0.280 (0;111) ✗ 27/01/17
AlVNi2 ICSD 58071 Fm-3m (225) ✔ 4 36 3 0.0 0.007 0.267 (1;000) ✗ 05/01/17
TiH ICSD 56181 P4_2/mmc (131) ✔ 4 26 3 0.0 0.000 0.468 (0;011) ✗ 27/01/17
ZrH ICSD 56197 P4_2/mmc (131) ✔ 4 10 3 0.0 0.000 0.547 (0;101) ✗ 27/01/17
LiIn2Ir COD 1527270 Fm-3m (225) ✔ 4 46 3 0.0 0.003 0.869 (1;000) ✗ 27/01/17
V2H ICSD 61422 I4_1/amd (141) ✔ 12 108 3 0.0 0.003 0.756 (1;111) ✗ 27/01/17
SrIn2Ir ICSD 410401 Cmcm (63) ✔ 8 106 3 0.0 0.000 0.784 (0;110) ✗ 27/01/17
LiIn2Rh ICSD 106806 Fm-3m (225) ✔ 4 46 3 0.0 0.002 0.869 (1;000) ✗ 27/01/17
In2Ni3S2 ICSD 640134 R-3m (166) ✔ 7 68 3 0.0 0.051 0.258 (0;111) ✗ 27/01/17
In2Ni3Se2 ICSD 640141 R-3m (166) ✔ 7 68 3 0.0 0.074 0.267 (0;111) ✗ 27/01/17
YIn2Ni ICSD 413459 Cmcm (63) ✔ 8 94 3 0.0 0.000 0.860 (0;000) ✗ 27/01/17
Ti2AlN ICSD 184882 P6_3/mmc (194) ✔ 8 64 3 0.0 0.009 0.549 (1;000) ✗ 05/01/17
Bi8Se9 ICSD 42665 R-3m (166) ✔ 17 94 2 0.0 0.024 0.183 (0;111) ✗ 06/10/16
FeBiO3 ICSD 15299 R3c (161) ✗ 10 62 3 0.0 0.000 0.535 ? ✗ 06/10/16
Ti3AlN ICSD 52642 Pm-3m (221) ✔ 5 44 3 0.0 0.000 0.240 (0;111) ✗ 05/01/17
IrS2 ICSD 640949 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.528 (1;111) ✗ 27/01/17
In2Pd8Se ICSD 290932 P4/mmm (123) ✔ 11 176 3 0.0 0.005 0.482 (1;111) ✗ 27/01/17
SrIn2Pd ICSD 410402 Cmcm (63) ✔ 8 108 3 0.0 0.001 0.509 (1;000) ✗ 27/01/17
In2Pt COD 9009034 Fm-3m (225) ✔ 3 36 3 0.0 0.022 0.831 (0;000) ✗ 27/01/17
SrIn2Pt ICSD 410400 Cmcm (63) ✔ 8 92 3 0.0 0.007 0.632 (1;000) ✗ 27/01/17
SrIn2Rh ICSD 410403 Cmcm (63) ✔ 8 106 3 0.0 0.000 0.796 (0;000) ✗ 27/01/17
In2Se3 ICSD 602266 P-3m1 (164) ✔ 5 44 2 0.0 0.470 0.035 (0;000) ✗ 27/01/17
In2Se3 COD 1528774 R-3m (166) ✔ 5 44 1 0.0 0.008 0.378 (0;111) ✗ 27/01/17
SrIn2 ICSD 414235 P6_3/mmc (194) ✔ 6 72 3 0.0 0.058 0.204 (0;000) ✗ 27/01/17
In2Te3 ICSD 657607 R-3m (166) ✔ 5 44 3 0.0 0.088 0.340 (1;111) ✗ 27/01/17
ScIn3 ICSD 59524 Pm-3m (221) ✔ 4 50 3 0.0 0.030 0.389 (0;111) ✗ 27/01/17
YIn3 ICSD 59569 Pm-3m (221) ✔ 4 50 3 0.0 0.007 0.390 (0;111) ✗ 27/01/17
ZrIn3 ICSD 640726 I4/mmm (139) ✔ 8 86 3 0.0 0.021 0.685 (1;000) ✗ 02/02/17
Li2InIr ICSD 639824 Fm-3m (225) ✔ 4 36 3 0.0 0.005 0.483 (1;000) ✗ 27/01/17
LiIn ICSD 639880 Fd-3m (227) ✔ 4 32 3 0.0 0.000 0.232 (0;000) ✗ 27/01/17
Zr3AlN ICSD 29521 Cmcm (63) ✔ 10 40 3 0.0 0.000 0.916 (0;000) ✗ 05/01/17
FeBiO3 ICSD 154394 R3c (161) ✗ 10 62 3 0.0 0.000 0.876 ? ✗ 06/10/16
Mg3In ICSD 639928 P6_3/mmc (194) ✔ 8 86 3 0.0 0.000 0.635 (0;000) ✗ 27/01/17
MnInNi2 ICSD 639954 Fm-3m (225) ✔ 4 48 3 0.0 0.000 0.630 (0;000) ✗ 27/01/17
MnInO3 ICSD 67671 P6_3/mmc (194) ✔ 10 92 3 0.0 0.013 0.600 (0;000) ✗ 27/01/17
MnInPd2 ICSD 51988 Fm-3m (225) ✔ 4 64 3 0.0 0.000 0.584 (1;000) ✗ 27/01/17
InMoS2 ICSD 603787 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.779 (0;000) ✗ 27/01/17
NaIn ICSD 640032 Fd-3m (227) ✔ 4 44 3 0.0 0.000 0.390 (0;000) ✗ 27/01/17
AlO2 COD 9014565 Pnma (62) ✔ 12 60 3 0.0 0.000 0.538 (1;011) ✗ 05/01/17
Bi8Te9 ICSD 106330 R-3m (166) ✔ 17 94 1 0.0 0.033 0.669 (0;111) ✗ 06/10/16
FeBiO3 ICSD 157424 R3c (161) ✗ 10 62 3 0.0 0.000 0.775 ? ✗ 06/10/16
Nb3In ICSD 51996 Pm-3n (223) ✔ 8 104 3 0.0 0.003 0.746 (0;000) ✗ 27/01/17
FeBiO3 ICSD 158760 R3c (161) ✗ 10 62 3 0.0 0.000 0.520 ? ✗ 06/10/16
InNi2 ICSD 640098 P6_3/mmc (194) ✔ 6 66 3 0.0 0.000 0.976 (1;000) ✗ 27/01/17
Sc2InNi2 ICSD 107333 P4/mbm (127) ✔ 10 110 3 0.0 0.000 0.861 (1;000) ✗ 27/01/17
ScInNi2 ICSD 59446 Fm-3m (225) ✔ 4 44 3 0.0 0.000 0.665 (0;000) ✗ 27/01/17
Y2InNi2 ICSD 640170 P4/mbm (127) ✔ 10 110 3 0.0 0.000 0.910 (1;000) ✗ 27/01/17
Zr2InNi2 ICSD 107372 P4/mbm (127) ✔ 10 82 3 0.0 0.000 0.980 (1;110) ✗ 27/01/17
InNi3 ICSD 185623 P6_3/mmc (194) ✔ 8 86 3 0.0 0.000 0.656 (1;000) ✗ 27/01/17
Bi9I2 ICSD 39257 P2_1/m (11) ✔ 22 118 3 0.0 0.000 0.931 (1;011) ✗ 06/10/16
InNi3N ICSD 247065 Pm-3m (221) ✔ 5 48 3 0.0 0.061 0.177 (0;111) ✗ 27/01/17
Ti2InN ICSD 640030 P6_3/mmc (194) ✔ 8 84 3 0.0 0.015 0.496 (1;000) ✗ 27/01/17
Ti3InN ICSD 42929 Pm-3m (221) ✔ 5 54 3 0.0 0.000 0.263 (0;111) ✗ 27/01/17
Zr2InN ICSD 640031 P6_3/mmc (194) ✔ 8 52 3 0.0 0.032 0.506 (1;000) ✗ 27/01/17
FeBiO3 ICSD 160918 R3c (161) ✗ 10 62 3 0.0 0.000 0.645 ? ✗ 06/10/16
AlV2O4 COD 9012337 Fd-3m (227) ✔ 14 106 3 0.0 0.000 0.645 (0;000) ✗ 05/01/17
FeBiO3 ICSD 163687 R3c (161) ✗ 10 62 3 0.0 0.000 0.492 ? ✗ 06/10/16
AlPd2 ICSD 58115 Pnma (62) ✔ 12 156 3 0.0 0.001 0.462 (0;011) ✗ 05/01/17
ScAlPd2 ICSD 58120 Fm-3m (225) ✔ 4 50 3 0.0 0.000 0.644 (0;000) ✗ 05/01/17
InP3 ICSD 37073 R-3m (166) ✔ 8 56 3 0.0 0.002 0.443 (0;000) ✗ 27/01/17
InRh3PbS2 ICSD 640213 R-3m (166) ✔ 7 90 3 0.0 0.034 0.245 (1;111) ✗ 27/01/17
InPd2 ICSD 640234 Pnma (62) ✔ 12 196 3 0.0 0.001 0.556 (0;011) ✗ 27/01/17
ScInPd2 ICSD 59481 Fm-3m (225) ✔ 4 60 3 0.0 0.000 0.685 (0;000) ✗ 27/01/17
YInPd2 ICSD 59484 Fm-3m (225) ✔ 4 60 3 0.0 0.000 0.654 (0;000) ✗ 27/01/17
InP ICSD 188692 Fm-3m (225) ✔ 2 18 3 0.0 0.031 0.246 (0;000) ✗ 27/01/17
InPPd5 ICSD 640193 P4/mmm (123) ✔ 7 108 3 0.0 0.004 0.520 (1;000) ✗ 27/01/17
InPPt5 ICSD 640194 P4/mmm (123) ✔ 7 68 3 0.0 0.007 0.517 (1;000) ✗ 27/01/17
ScInPt2 ICSD 59502 Fm-3m (225) ✔ 4 44 3 0.0 0.000 0.654 (0;000) ✗ 27/01/17
YInPt2 ICSD 59505 P6_3/mmc (194) ✔ 8 88 3 0.0 0.013 0.691 (1;000) ✗ 27/01/17
InRh ICSD 59515 Pm-3m (221) ✔ 2 30 3 0.0 0.005 0.393 (0;000) ✗ 27/01/17
InRu3 ICSD 640342 P6_3/mmc (194) ✔ 8 122 3 0.0 0.000 0.712 (1;000) ✗ 27/01/17
TaInS2 ICSD 640379 P6_3/mmc (194) ✔ 8 76 3 0.0 0.160 0.073 (0;000) ✗ 27/01/17
InSb ICSD 190430 P6_3mc (186) ✗ 4 36 3 0.0 0.021 0.007 (1;000) ✔ 06/10/16
InWS2 ICSD 640400 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.783 (1;000) ✗ 27/01/17
InSb ICSD 44641 Pm-3m (221) ✔ 2 18 3 0.0 0.033 0.511 (1;000) ✗ 27/01/17
InSb ICSD 44642 Fm-3m (225) ✔ 2 18 3 0.0 0.015 0.582 (1;000) ✗ 27/01/17
InSb COD 1525500 Pmmn (59) ✔ 4 36 3 0.0 0.010 0.580 (0;000) ✗ 27/01/17
Sc2In ICSD 59522 P6_3/mmc (194) ✔ 6 70 3 0.0 0.000 0.718 (1;000) ✗ 27/01/17
Sc3In ICSD 59523 Pm-3m (221) ✔ 4 46 3 0.0 0.000 0.873 (1;111) ✗ 27/01/17
Sc3In COD 2310365 P6_3/mmc (194) ✔ 8 92 3 0.0 0.000 0.650 (1;000) ✗ 27/01/17
InS COD 9008787 Pnma (62) ✔ 8 76 3 0.0 0.001 0.559 (0;011) ✗ 27/01/17
Ti3In ICSD 640656 P6_3/mmc (194) ✔ 8 98 3 0.0 0.000 0.568 (1;000) ✗ 27/01/17
Y2In ICSD 108567 P6_3/mmc (194) ✔ 6 70 3 0.0 0.000 0.807 (1;000) ✗ 27/01/17
YIn ICSD 188185 Pm-3m (221) ✔ 2 24 3 0.0 0.000 0.449 (0;000) ✗ 27/01/17
MgIr2 ICSD 414084 P6_3/mmc (194) ✔ 12 176 3 0.0 0.011 0.664 (1;000) ✗ 27/01/17
ScIr2 COD 2310175 Fd-3m (227) ✔ 6 90 3 0.0 0.000 0.329 (0;000) ✗ 27/01/17
Y(SiIr)2 COD 1518050 P4/nmm (129) ✔ 10 106 3 0.0 0.000 0.926 (0;000) ✗ 27/01/17
SiIr2 ICSD 640995 Pnma (62) ✔ 12 152 3 0.0 0.030 0.335 (1;000) ✗ 27/01/17
SrIr2 COD 1523825 Fd-3m (227) ✔ 6 88 3 0.0 0.012 0.416 (0;000) ✗ 27/01/17
YIr2 COD 1523499 Fd-3m (227) ✔ 6 90 3 0.0 0.000 0.298 (0;000) ✗ 27/01/17
ZrIr2 COD 1522490 Fd-3m (227) ✔ 6 76 3 0.0 0.021 0.584 (0;000) ✗ 27/01/17
MoIr3 COD 1523680 P6_3/mmc (194) ✔ 8 130 3 0.0 0.000 0.878 (0;000) ✗ 27/01/17
NbIr3 COD 1523509 Pm-3m (221) ✔ 4 64 3 0.0 0.089 0.537 (1;000) ✗ 27/01/17
ScIr3 ICSD 108568 Pm-3m (221) ✔ 4 62 3 0.0 0.000 0.623 (0;000) ✗ 27/01/17
SiIr3 ICSD 54975 I4/mcm (140) ✔ 8 110 3 0.0 0.000 0.269 (0;111) ✗ 27/01/17
TaIr3 COD 1523510 Pm-3m (221) ✔ 4 64 3 0.0 0.038 0.460 (1;000) ✗ 27/01/17
VIr3 COD 1523511 Pm-3m (221) ✔ 4 64 3 0.0 0.005 0.606 (0;111) ✗ 27/01/17
YCo ICSD 20954 Cmcm (63) ✔ 4 56 3 0.0 0.028 0.138 (0;000) ✗ 27/01/17
Mg3Ir COD 1523606 P6_3/mmc (194) ✔ 8 94 3 0.0 0.000 0.869 (1;000) ✗ 27/01/17
FeBiO3 ICSD 163688 R3c (161) ✗ 10 62 3 0.0 0.000 0.527 ? ✗ 06/10/16
MnIr ICSD 104496 P4/mmm (123) ✔ 2 32 3 0.0 0.005 0.600 (0;001) ✗ 27/01/17
MnSiIr ICSD 246548 Pnma (62) ✔ 12 144 3 0.0 0.018 0.215 (0;000) ✗ 27/01/17
Mo3Ir ICSD 640823 Pm-3n (223) ✔ 8 118 3 0.0 0.000 0.785 (0;000) ✗ 27/01/17
MoIr COD 1523679 Pmma (51) ✔ 4 62 3 0.0 0.000 0.817 (0;001) ✗ 27/01/17
FeBiO3 ICSD 168292 R3c (161) ✗ 10 62 3 0.0 0.000 0.482 ? ✗ 06/10/16
NaIrO3 ICSD 261371 Cmcm (63) ✔ 10 88 2 0.0 0.011 0.327 (0;000) ✗ 27/01/17
Nb3Ir COD 1523690 Pm-3n (223) ✔ 8 112 3 0.0 0.000 0.558 (1;000) ✗ 27/01/17
NbIr ICSD 640828 Pmma (51) ✔ 12 180 3 0.0 0.002 0.846 (0;100) ✗ 27/01/17
NbIr COD 2310164 P4/mmm (123) ✔ 2 30 3 0.0 0.004 0.541 (0;001) ✗ 27/01/17
NbSiIr ICSD 411882 Pnma (62) ✔ 12 136 3 0.0 0.034 0.117 (0;000) ✗ 27/01/17
AlPPt5 ICSD 609024 P4/mmm (123) ✔ 7 58 3 0.0 0.014 0.471 (1;000) ✗ 05/01/17
IrPb COD 1522693 P6_3/mmc (194) ✔ 4 62 3 0.0 0.000 0.897 (1;000) ✗ 27/01/17
SbIr ICSD 44481 P6_3/mmc (194) ✔ 4 44 3 0.0 0.006 0.557 (1;000) ✗ 27/01/17
ScIr ICSD 657998 Pm-3m (221) ✔ 2 28 3 0.0 0.021 0.210 (1;000) ✗ 27/01/17
ScSiIr ICSD 640977 Pnma (62) ✔ 12 128 3 0.0 0.046 0.298 (1;000) ✗ 27/01/17
Si3Ir ICSD 43418 P6_3/mmc (194) ✔ 8 58 3 0.0 0.000 0.780 (0;000) ✗ 27/01/17
SiIr COD 1527672 Pnma (62) ✔ 8 84 3 0.0 0.002 0.353 (0;011) ✗ 27/01/17
TaSiIr ICSD 411884 Pnma (62) ✔ 12 136 3 0.0 0.028 0.130 (0;000) ✗ 27/01/17
TiSiIr ICSD 641017 Pnma (62) ✔ 12 132 3 0.0 0.000 0.598 (1;011) ✗ 27/01/17
ZrSiIr ICSD 641044 Pnma (62) ✔ 12 100 3 0.0 0.001 0.528 (1;011) ✗ 27/01/17
SnIr COD 1522618 P6_3/mmc (194) ✔ 4 62 3 0.0 0.000 0.902 (0;000) ✗ 27/01/17
TaIr COD 1523600 Pmma (51) ✔ 12 180 3 0.0 0.009 0.863 (0;100) ✗ 27/01/17
Te2Ir COD 1526500 P4_2/mnm (136) ✔ 6 58 3 0.0 0.000 0.870 (0;111) ✗ 27/01/17
TeIr COD 9008897 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.772 (0;000) ✗ 27/01/17
Ti3Ir ICSD 641120 Pm-3n (223) ✔ 8 106 3 0.0 0.000 0.692 (0;000) ✗ 27/01/17
AlPt2 ICSD 656680 Pnma (62) ✔ 12 92 3 0.0 0.003 0.416 (0;011) ✗ 05/01/17
V3Ir COD 1523683 Pm-3n (223) ✔ 8 112 3 0.0 0.000 0.473 (0;000) ✗ 27/01/17
VIr ICSD 104589 P4/mmm (123) ✔ 2 30 3 0.0 0.007 0.507 (0;001) ✗ 27/01/17
VIr COD 2310206 Cmmm (65) ✔ 4 60 3 0.0 0.017 0.606 (0;111) ✗ 27/01/17
IrW COD 1523681 Pmma (51) ✔ 4 62 3 0.0 0.000 0.984 (0;101) ✗ 27/01/17
YIr COD 1523282 Pm-3m (221) ✔ 2 28 3 0.0 0.181 0.217 (0;000) ✗ 27/01/17
Zr2Ir ICSD 641204 I4/mcm (140) ✔ 6 50 3 0.0 0.000 0.574 (1;111) ✗ 27/01/17
ZrIr ICSD 657956 P2_1/m (11) ✔ 4 42 3 0.0 0.000 0.743 (1;001) ✗ 27/01/17
ZrAlPt2 ICSD 58139 P6_3/mmc (194) ✔ 8 54 3 0.0 0.000 0.927 (0;000) ✗ 05/01/17
K2NiO2 COD 1530497 I4/mmm (139) ✔ 5 40 1 0.0 0.056 0.246 (0;000) ✗ 27/01/17
TiAlPt ICSD 163350 P6_3/mmc (194) ✔ 6 50 3 0.0 0.000 0.904 (0;000) ✗ 05/01/17
FeBiO3 ICSD 168319 R3c (161) ✗ 10 62 3 0.0 0.000 0.568 ? ✗ 06/10/16
Sc2Al ICSD 58100 P6_3/mmc (194) ✔ 6 50 3 0.0 0.000 0.761 (1;000) ✗ 05/01/17
Sc2AlSi2 ICSD 52653 P4/mbm (127) ✔ 10 66 3 0.0 0.000 0.847 (1;111) ✗ 05/01/17
FeBiO3 ICSD 168740 R3c (161) ✗ 10 62 3 0.0 0.000 0.547 ? ✗ 06/10/16
K2Pb(SO4)2 ICSD 29335 R-3m (166) ✔ 13 92 3 0.0 0.005 0.654 (0;111) ✗ 27/01/17
YAlSi COD 1533018 Cmcm (63) ✔ 6 36 3 0.0 0.015 0.313 (0;110) ✗ 05/01/17
Ti3Al ICSD 181338 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.474 (1;000) ✗ 05/01/17
FeBiO3 ICSD 169801 R3c (161) ✗ 10 62 3 0.0 0.000 0.704 ? ✗ 06/10/16
FeBiO3 ICSD 180128 R3c (161) ✗ 10 62 3 0.0 0.000 0.500 ? ✗ 06/10/16
AlV3 ICSD 609614 Pm-3n (223) ✔ 8 84 3 0.0 0.001 0.696 (0;000) ✗ 05/01/17
Y3Al ICSD 58212 Pm-3m (221) ✔ 4 36 3 0.0 0.000 0.809 (1;111) ✗ 05/01/17
YAl ICSD 58210 Pm-3m (221) ✔ 2 14 3 0.0 0.044 0.474 (1;111) ✗ 05/01/17
YAl ICSD 609650 Cmcm (63) ✔ 4 28 3 0.0 0.018 0.400 (0;000) ✗ 05/01/17
IrO2 COD 5910069 P4_2/mnm (136) ✔ 6 58 3 0.0 0.000 0.597 (0;000) ✗ 27/01/17
FeBiO3 ICSD 180495 R3c (161) ✗ 10 62 3 0.0 0.001 0.519 ? ✗ 06/10/16
HRh ICSD 56168 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.615 (0;000) ✗ 27/01/17
YAlZn ICSD 609667 P6_3/mmc (194) ✔ 6 52 3 0.0 0.006 0.377 (0;000) ✗ 05/01/17
Zr2Al ICSD 150774 I4/mcm (140) ✔ 6 22 3 0.0 0.001 0.722 (0;111) ✗ 05/01/17
FeBiO3 ICSD 180496 R3c (161) ✗ 10 62 3 0.0 0.000 0.519 ? ✗ 06/10/16
Zr2Al ICSD 609694 P6_3/mmc (194) ✔ 6 22 3 0.0 0.000 0.899 (0;000) ✗ 05/01/17
Ba2Mn2As2O ICSD 75454 C2/m (12) ✔ 7 66 1 0.0 0.012 0.629 (0;111) ✗ 05/01/17
K ICSD 165996 Pnma (62) ✔ 8 72 3 0.0 0.147 0.288 (0;000) ✗ 27/01/17
InSb ICSD 57396 Pmm2 (25) ✗ 2 18 3 0.0 0.047 0.593 (0;011) ✔ 06/10/16
KLiMnO2 ICSD 49021 C2/m (12) ✔ 10 78 1 0.0 0.011 0.746 (0;110) ✗ 27/01/17
CrBr3 ICSD 24768 R-3 (148) ✔ 8 70 2 0.0 0.029 0.410 (0;000) ✗ 06/10/16
FeBiO3 ICSD 180497 R3c (161) ✗ 10 62 3 0.0 0.000 0.519 ? ✗ 06/10/16
FeBiO3 ICSD 180498 R3c (161) ✗ 10 62 3 0.0 0.000 0.519 ? ✗ 06/10/16
Ba(CoAs)2 ICSD 609848 I4/mmm (139) ✔ 5 54 2 0.0 0.006 0.581 (1;000) ✗ 05/01/17
Ba(CrAs)2 ICSD 609849 I4/mmm (139) ✔ 5 48 2 0.0 0.006 0.557 (1;000) ✗ 05/01/17
FeBr3 ICSD 410924 R-3 (148) ✔ 8 58 2 0.0 0.010 0.479 (0;000) ✗ 02/02/17
KMn(SeO4)2 ICSD 80430 P-1 (2) ✔ 12 84 2 0.0 0.041 0.039 (0;000) ✗ 27/01/17
KMnP COD 1521902 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.821 (1;000) ✗ 27/01/17
KMnSb COD 1521901 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.824 (1;000) ✗ 27/01/17
FeBiO3 ICSD 180499 R3c (161) ✗ 10 62 3 0.0 0.001 0.519 ? ✗ 06/10/16
KN3 COD 2310495 I4/mcm (140) ✔ 8 48 3 0.0 0.007 0.710 (0;111) ✗ 27/01/17
Ba(CuAs)2 ICSD 609850 I4/mmm (139) ✔ 5 42 3 0.0 0.053 0.240 (1;111) ✗ 05/01/17
Ba(Cu2As)2 COD 1521018 R-3m (166) ✔ 7 64 2 0.0 0.006 0.401 (1;000) ✗ 05/01/17
FeBiO3 ICSD 180500 R3c (161) ✗ 10 62 3 0.0 0.000 0.519 ? ✗ 06/10/16
Ba(Cu3As)2 ICSD 79256 P4/mmm (123) ✔ 9 86 2 0.0 0.002 0.654 (1;001) ✗ 05/01/17
Ba(FeAs)2 COD 4123005 I4/mmm (139) ✔ 5 36 2 0.0 0.015 0.486 (1;111) ✗ 05/01/17
FeBr3 ICSD 76421 R-3 (148) ✔ 8 58 2 0.0 0.026 0.272 (0;000) ✗ 06/10/16
FeBiO3 ICSD 180501 R3c (161) ✗ 10 62 3 0.0 0.000 0.519 ? ✗ 06/10/16
Ba(MnAs)2 ICSD 41794 I4/mmm (139) ✔ 5 50 2 0.0 0.009 0.867 (0;111) ✗ 05/01/17
FeBiO3 ICSD 180502 R3c (161) ✗ 10 62 3 0.0 0.000 0.519 ? ✗ 06/10/16
Ba(NiAs)2 ICSD 609856 I4/mmm (139) ✔ 5 40 2 0.0 0.003 0.647 (1;111) ✗ 05/01/17
BaNi2(AsO4)2 COD 1007068 R-3 (148) ✔ 13 88 2 0.0 0.001 0.194 (1;000) ✗ 05/01/17
FeBiO3 ICSD 180503 R3c (161) ✗ 10 62 3 0.0 0.000 0.518 ? ✗ 06/10/16
BaTi2As2O ICSD 169074 P4/mmm (123) ✔ 6 50 2 0.0 0.008 0.589 (1;001) ✗ 05/01/17
KV(SO4)2 ICSD 59175 R-3 (148) ✔ 12 82 2 0.0 0.021 0.042 (0;000) ✗ 27/01/17
Ba(AsPd)2 ICSD 36376 P4/mmm (123) ✔ 5 56 2 0.0 0.001 0.612 (1;000) ✗ 05/01/17
FeBiO3 ICSD 180505 R3c (161) ✗ 10 62 3 0.0 0.000 0.527 ? ✗ 06/10/16
Ba(AsPd)2 ICSD 61196 I4/mmm (139) ✔ 5 56 3 0.0 0.023 0.752 (1;111) ✗ 05/01/17
KP COD 9016510 I4_1/amd (141) ✔ 4 28 1 0.0 0.015 0.048 (1;111) ✗ 27/01/17
BaAs2Pd ICSD 405110 Cmcm (63) ✔ 8 76 3 0.0 0.030 0.506 (1;000) ✗ 05/01/17
NbP2 ICSD 645169 C2/m (12) ✔ 6 46 3 0.0 0.044 0.088 (0;111) ✔ 27/01/17
CoAs ICSD 15065 P2_1nb (33) ✗ 8 56 3 0.0 0.020 0.375 (1;000) ✔ 06/10/16
TiBr3 ICSD 39242 R-3 (148) ✔ 8 66 2 0.0 0.008 0.833 (1;000) ✗ 02/02/17
TiBr3 ICSD 39784 P-1 (2) ✔ 8 66 2 0.0 0.007 0.829 (0;011) ✗ 06/10/16
Li2MgPb COD 1522014 Fm-3m (225) ✔ 4 30 1 0.0 0.000 0.455 (1;000) ✗ 27/01/17
FeBiO3 ICSD 181983 R3c (161) ✗ 10 62 3 0.0 0.000 0.527 ? ✗ 06/10/16
BaAs2Pt ICSD 405112 Cmcm (63) ✔ 8 60 3 0.0 0.025 0.569 (0;000) ✗ 05/01/17
Ba(AsRh)2 ICSD 416983 I4/mmm (139) ✔ 5 54 2 0.0 0.008 0.622 (1;000) ✗ 05/01/17
Li2NiO2 ICSD 73874 P-3m1 (164) ✔ 5 28 2 0.0 0.016 0.600 (0;000) ✗ 27/01/17
FeBiO3 ICSD 181984 R3c (161) ✗ 10 62 3 0.0 0.000 0.592 ? ✗ 06/10/16
Ba(AsRu)2 ICSD 602110 I4/mmm (139) ✔ 5 52 2 0.0 0.002 0.513 (1;111) ✗ 05/01/17
NaLi2N COD 1526563 Cmmm (65) ✔ 4 20 2 0.0 0.008 0.571 (1;110) ✗ 27/01/17
NaLi2N COD 1526565 P6/mmm (191) ✔ 4 20 1 0.0 0.010 0.057 (1;000) ✗ 27/01/17
Li2PdO2 ICSD 61199 Immm (71) ✔ 5 36 2 0.0 0.039 0.380 (0;000) ✗ 27/01/17
Ba(ZnAs)2 ICSD 417000 I4/mmm (139) ✔ 5 44 2 0.0 0.099 0.151 (0;000) ✗ 05/01/17
FeBiO3 ICSD 184771 R3c (161) ✗ 10 62 3 0.0 0.000 0.594 ? ✗ 06/10/16
FeBiO3 ICSD 185164 R3c (161) ✗ 10 62 3 0.0 0.000 0.525 ? ✗ 06/10/16
FeBiO3 ICSD 186583 R3c (161) ✗ 10 62 3 0.0 0.000 0.535 ? ✗ 06/10/16
Li2VSiO5 COD 2006996 P4/nmm (129) ✔ 18 106 2 0.0 0.000 0.927 (0;001) ✗ 27/01/17
Li2Pd COD 1523156 P6/mmm (191) ✔ 3 24 1 0.0 0.079 0.640 (1;000) ✗ 27/01/17
Li2Pt COD 1523301 P6/mmm (191) ✔ 3 16 1 0.0 0.077 0.580 (1;000) ✗ 27/01/17
FeBiO3 ICSD 186677 R3c (161) ✗ 10 62 3 0.0 0.000 0.520 ? ✗ 06/10/16
Li2ZnSi ICSD 642379 P6_3/mmc (194) ✔ 8 44 3 0.0 0.009 0.590 (0;000) ✗ 27/01/17
Li2ZnSi ICSD 642380 P-3m1 (164) ✔ 8 44 2 0.0 0.016 0.354 (1;000) ✗ 27/01/17
Li2ZnSn COD 1522875 Fm-3m (225) ✔ 4 32 3 0.0 0.000 0.574 (0;000) ✗ 27/01/17
Ca(CoAs)2 ICSD 609899 I4/mmm (139) ✔ 5 54 3 0.0 0.022 0.453 (0;111) ✗ 05/01/17
Ca(Cu2As)2 ICSD 32619 R-3m (166) ✔ 7 64 2 0.0 0.006 0.438 (1;000) ✗ 05/01/17
Ca(FeAs)2 ICSD 182276 I4/mmm (139) ✔ 5 36 3 0.0 0.002 0.686 (1;111) ✗ 05/01/17
SrLi3MnN3 ICSD 412874 R-3 (148) ✔ 16 98 2 0.0 0.056 0.035 (0;000) ✗ 27/01/17
FeBiO3 ICSD 186955 R3c (161) ✗ 10 62 3 0.0 0.000 0.549 ? ✗ 06/10/16
Ca(GaAs)2 ICSD 422526 R-3m (166) ✔ 5 46 2 0.0 0.082 0.050 (1;111) ✗ 05/01/17
FeBiO3 ICSD 186964 R3c (161) ✗ 10 62 3 0.0 0.000 0.523 ? ✗ 06/10/16
Ca(MnAs)2 ICSD 609906 P-3m1 (164) ✔ 5 50 2 0.0 0.003 0.475 (1;001) ✗ 05/01/17
Ca(NiAs)2 ICSD 609910 I4/mmm (139) ✔ 5 40 3 0.0 0.020 0.757 (1;111) ✗ 05/01/17
In2Se3 ICSD 17008 R3m (160) ✗ 5 44 2 0.0 0.073 0.438 (0;000) ✔ 06/10/16
Li3Tl COD 7221247 Fm-3m (225) ✔ 4 22 1 0.0 0.000 0.826 (0;000) ✗ 27/01/17
Li4MoO5 ICSD 40270 P-1 (2) ✔ 20 112 3 0.0 0.010 0.282 (0;000) ✗ 27/01/17
Co2C ICSD 16895 Pmnn (58) ✔ 6 44 3 0.0 0.023 0.344 (0;000) ✗ 06/10/16
FeBiO3 ICSD 187330 R3c (161) ✗ 10 62 3 0.0 0.000 0.520 ? ✗ 06/10/16
Ca(AsPd)2 ICSD 36372 I4/mmm (139) ✔ 5 56 3 0.0 0.003 0.730 (0;111) ✗ 05/01/17
FeBiO3 ICSD 188396 R3c (161) ✗ 10 62 3 0.0 0.000 0.570 ? ✗ 06/10/16
Ca(AsRu)2 ICSD 602108 I4/mmm (139) ✔ 5 52 3 0.0 0.028 0.550 (1;111) ✗ 05/01/17
Fe2C ICSD 162104 Pmnn (58) ✔ 6 40 3 0.0 0.006 0.528 (1;000) ✗ 06/10/16
FeBiO3 ICSD 189037 R3c (161) ✗ 10 62 3 0.0 0.000 0.547 ? ✗ 06/10/16
FeBiO3 ICSD 189682 R3c (161) ✗ 10 62 3 0.0 0.000 0.582 ? ✗ 06/10/16
Cd3As2 COD 5910128 Pnnn (48) ✔ 10 92 3 0.0 0.004 0.387 (0;000) ✗ 05/01/17
LiIr ICSD 104487 P-6m2 (187) ✗ 2 12 2 0.0 0.124 0.202 (0;000) ✔ 06/10/16
Fe4C ICSD 187144 I4/m (87) ✔ 5 36 3 0.0 0.008 0.732 (0;111) ✗ 06/10/16
FeBiO3 ICSD 189715 R3c (161) ✗ 10 62 3 0.0 0.000 0.582 ? ✗ 06/10/16
Co2As2O7 ICSD 69001 C2/m (12) ✔ 11 86 3 0.0 0.013 0.584 (1;000) ✗ 05/01/17
Sr(CoAs)2 ICSD 610122 I4/mmm (139) ✔ 5 54 2 0.0 0.003 0.482 (1;000) ✗ 05/01/17
FeBiO3 ICSD 190940 R3c (161) ✗ 10 62 3 0.0 0.000 0.773 ? ✗ 06/10/16
CoAs2 COD 2219402 Pnnm (58) ✔ 6 54 3 0.0 0.000 0.927 (1;000) ✗ 05/01/17
LiMg2Tl COD 2310240 Fm-3m (225) ✔ 4 36 3 0.0 0.382 0.358 (0;000) ✗ 27/01/17
CoAs2 COD 9012076 P2_1/c (14) ✔ 12 108 3 0.0 0.179 0.012 (0;000) ✗ 05/01/17
FeBiO3 ICSD 191940 R3c (161) ✗ 10 62 3 0.0 0.000 0.523 ? ✗ 06/10/16
LiMnO2 COD 1514015 Pmmn (59) ✔ 8 60 1 0.0 0.002 0.207 (1;000) ✗ 27/01/17
LiMnVO4 COD 2202307 Cmcm (63) ✔ 14 110 3 0.0 0.000 0.709 (0;110) ✗ 27/01/17
LiMnP ICSD 26458 P4/nmm (129) ✔ 6 46 2 0.0 0.000 0.847 (0;001) ✗ 27/01/17
LiMnSb ICSD 642150 P4/nmm (129) ✔ 6 46 2 0.0 0.000 0.877 (1;000) ✗ 27/01/17
LiMoO2 ICSD 165326 C2/m (12) ✔ 8 58 2 0.0 0.023 0.825 (0;111) ✗ 27/01/17
Sr(CrAs)2 ICSD 610273 I4/mmm (139) ✔ 5 48 2 0.0 0.015 0.674 (1;000) ✗ 05/01/17
Cu2As2O7 COD 4505378 C2/m (12) ✔ 11 74 3 0.0 0.027 0.349 (0;000) ✗ 05/01/17
FeBiO3 ICSD 191991 R3c (161) ✗ 10 62 3 0.0 0.001 0.520 ? ✗ 06/10/16
Sr(CuAs)2 ICSD 78756 I4/mmm (139) ✔ 5 42 3 0.0 0.055 0.314 (1;111) ✗ 05/01/17
IrN ICSD 167880 F-43m (216) ✗ 2 14 3 0.0 0.146 0.582 (0;000) ✔ 06/10/16
TiAu4 ICSD 109132 I4/m (87) ✔ 5 56 3 0.0 0.134 0.429 (0;111) ✗ 05/01/17
LiNiPO4 ICSD 97767 Cmcm (63) ✔ 14 84 3 0.0 0.003 0.439 (0;000) ✗ 27/01/17
PtC ICSD 181345 Fm-3m (225) ✔ 2 14 3 0.0 0.168 0.273 (0;000) ✗ 06/10/16
Na2LiN COD 1526569 P6/mmm (191) ✔ 4 26 2 0.0 0.012 0.037 (1;000) ✗ 27/01/17
FeBiO3 ICSD 192509 R3c (161) ✗ 10 62 3 0.0 0.000 0.523 ? ✗ 06/10/16
LiNO3 COD 1011340 R-3m (166) ✔ 5 26 3 0.0 0.012 0.680 (1;111) ✗ 27/01/17
Sr(Cu2As)2 COD 1521016 R-3m (166) ✔ 7 64 2 0.0 0.011 0.421 (1;000) ✗ 05/01/17
LiO2 COD 1514090 Pnnm (58) ✔ 6 30 1 0.0 0.000 0.990 (0;110) ✗ 27/01/17
LiO2 COD 9014136 C2/m (12) ✔ 6 30 1 0.0 0.004 0.735 (1;110) ✗ 27/01/17
Cu5As2 COD 9012384 Ibam (72) ✔ 14 130 3 0.0 0.000 0.547 (0;111) ✗ 05/01/17
FeBiO3 ICSD 192511 R3c (161) ✗ 10 62 3 0.0 0.000 0.508 ? ✗ 06/10/16
LiRuO2 ICSD 48007 Pnnm (58) ✔ 8 62 3 0.0 0.000 0.833 (0;000) ✗ 27/01/17
YCuAs2 COD 8100824 P4/nmm (129) ✔ 8 64 3 0.0 0.048 0.338 (1;000) ✗ 05/01/17
LiTiO2 ICSD 164158 I4_1/amd (141) ✔ 8 54 3 0.0 0.000 0.622 (1;111) ✗ 27/01/17
Sr(FeAs)2 COD 9016374 I4/mmm (139) ✔ 5 36 2 0.0 0.003 0.531 (1;111) ✗ 05/01/17
LiVO2 COD 1529719 R-3m (166) ✔ 4 28 2 0.0 0.005 0.513 (0;000) ✗ 27/01/17
LiV2O4 COD 9007993 Fd-3m (227) ✔ 14 106 3 0.0 0.000 0.716 (0;000) ✗ 27/01/17
LiV2O5 ICSD 88639 Pmmn (59) ✔ 16 118 2 0.0 0.000 0.987 (0;000) ✗ 27/01/17
FeBiO3 ICSD 192515 Cc (9) ✗ 10 62 3 0.0 0.003 0.696 ? ✗ 06/10/16
Li COD 9011003 P6_3/mmc (194) ✔ 2 6 1 0.0 0.000 0.710 (0;000) ✗ 27/01/17
Fe4As2O11 COD 9009251 P-1 (2) ✔ 17 108 3 0.0 0.027 0.029 (0;000) ✗ 05/01/17
FeBiO3 ICSD 192517 Cc (9) ✗ 10 62 3 0.0 0.003 0.442 ? ✗ 06/10/16
Li2O2 COD 9016055 P4/nmm (129) ✔ 4 18 1 0.0 0.000 0.751 (0;000) ✗ 27/01/17
LiTlPd2 ICSD 54365 I4/mmm (139) ✔ 4 52 3 0.0 0.035 0.704 (0;000) ✗ 27/01/17
Hf(Ni2As)2 ICSD 610651 P4_2/mnm (136) ✔ 14 124 3 0.0 0.006 0.687 (1;000) ✗ 05/01/17
LiPt2 COD 4123950 Fd-3m (227) ✔ 6 46 3 0.0 0.000 0.693 (0;000) ✗ 27/01/17
CaC2 ICSD 290834 Cmcm (63) ✔ 6 36 1 0.0 0.051 0.065 (0;000) ✗ 06/10/16
FeBiO3 ICSD 192992 R3c (161) ✗ 10 62 3 0.0 0.000 0.547 ? ✗ 06/10/16
Li(SiRh)2 ICSD 420085 P4/mbm (127) ✔ 10 90 3 0.0 0.000 0.994 (1;001) ✗ 27/01/17
FeBiO3 ICSD 237080 R3c (161) ✗ 10 62 3 0.0 0.000 0.512 ? ✗ 06/10/16
Mn2As2O7 COD 2104871 C2/m (12) ✔ 11 82 3 0.0 0.019 0.267 (0;110) ✗ 05/01/17
LiVS2 COD 1528269 P-3m1 (164) ✔ 4 28 2 0.0 0.000 0.446 (0;000) ✗ 27/01/17
FeBiO3 ICSD 237367 R3c (161) ✗ 10 62 3 0.0 0.000 0.527 ? ✗ 06/10/16
Sr(MnAs)2 ICSD 41793 P-3m1 (164) ✔ 5 50 2 0.0 0.012 0.495 (1;001) ✗ 05/01/17
LiTl ICSD 262070 P6_3/mmc (194) ✔ 8 64 3 0.0 0.033 0.179 (0;000) ✗ 27/01/17
LiTl COD 1523144 Pm-3m (221) ✔ 2 16 3 0.0 0.724 0.531 (0;000) ✗ 27/01/17
LiZn COD 1522318 Fd-3m (227) ✔ 4 30 3 0.0 0.000 0.837 (0;000) ✗ 27/01/17
Mn2ZnAs2 ICSD 39512 P-3m1 (164) ✔ 5 52 3 0.0 0.014 0.505 (0;001) ✗ 05/01/17
Mg2SiNi3 ICSD 44926 R-3m (166) ✔ 6 54 3 0.0 0.028 0.204 (1;111) ✗ 27/01/17
FeBiO3 ICSD 237368 R3c (161) ✗ 10 62 3 0.0 0.000 0.519 ? ✗ 06/10/16
NbAs2 COD 2004123 C2/m (12) ✔ 6 46 3 0.0 0.026 0.083 (0;111) ✗ 05/01/17
Ni2As2O7 ICSD 69002 C2/m (12) ✔ 11 72 3 0.0 0.019 0.427 (0;001) ✗ 05/01/17
Mg2VO4 ICSD 76980 Fd-3m (227) ✔ 14 114 3 0.0 0.000 0.722 (0;000) ✗ 27/01/17
LiIr3 ICSD 104488 Im2m (44) ✗ 4 30 3 0.0 0.003 0.660 (0;111) ✔ 06/10/16
Mg2Pb COD 9009028 Fm-3m (225) ✔ 3 34 3 0.0 0.000 0.203 (1;000) ✗ 27/01/17
Mg2Pt ICSD 245120 I4/mcm (140) ✔ 6 60 3 0.0 0.018 0.323 (0;111) ✗ 27/01/17
Mg2SiPt COD 9007784 P6_3/mmc (194) ✔ 8 68 3 0.0 0.000 0.570 (1;000) ✗ 27/01/17
FeBiO3 ICSD 237538 P1 (1) ✗ 10 62 3 0.0 0.035 0.569 (0;001) ✔ 06/10/16
Mg2Si ICSD 108584 Fd-3m (227) ✔ 6 48 3 0.0 0.468 0.440 (0;000) ✗ 27/01/17
FeBiO3 ICSD 245827 R3c (161) ✗ 10 62 3 0.0 0.001 0.531 ? ✗ 06/10/16
Mg2Sn ICSD 642849 Fd-3m (227) ✔ 6 68 3 0.0 0.280 0.478 (0;000) ✗ 27/01/17
Mg2Sn COD 1523289 Fm-3m (225) ✔ 3 34 3 0.0 1.327 0.143 (0;000) ✗ 27/01/17
Mg3Pd ICSD 642752 P6_3/mmc (194) ✔ 8 96 3 0.0 0.012 0.750 (1;000) ✗ 27/01/17
Mg3Pt COD 1523605 P6_3/mmc (194) ✔ 8 80 3 0.0 0.009 0.729 (0;000) ✗ 27/01/17
Sc(Ni2As)2 ICSD 611064 P4_2/mnm (136) ✔ 14 122 3 0.0 0.000 0.963 (0;001) ✗ 05/01/17
Mg5Si6 ICSD 85529 C2/m (12) ✔ 11 74 3 0.0 0.003 0.856 (1;110) ✗ 27/01/17
MgMoN2 COD 7208132 P6_3/mmc (194) ✔ 8 68 3 0.0 1.535 0.119 (0;000) ✗ 27/01/17
Y(Ni2As)2 ICSD 611100 P4_2/mnm (136) ✔ 14 122 3 0.0 0.000 0.972 (1;110) ✗ 05/01/17
Zr(Ni2As)2 ICSD 611111 P4_2/mnm (136) ✔ 14 108 3 0.0 0.022 0.674 (1;000) ✗ 05/01/17
Ni(AsO3)2 ICSD 80349 P-31m (162) ✔ 9 56 3 0.0 0.000 0.634 (0;000) ✗ 05/01/17
MgNi2Sn COD 1522736 Fm-3m (225) ✔ 4 44 3 0.0 0.000 0.853 (0;000) ✗ 27/01/17
Mg(SiNi)6 ICSD 642706 P6/mmm (191) ✔ 13 94 3 0.0 0.009 0.677 (0;001) ✗ 27/01/17
FeBiO3 ICSD 246424 R3c (161) ✗ 10 62 3 0.0 0.000 0.450 ? ✗ 06/10/16
NiAs2 COD 9012502 Pa3 (205) ✔ 12 80 3 0.0 0.013 0.319 (0;000) ✗ 05/01/17
NiAs2 COD 9012572 Pnnm (58) ✔ 6 40 3 0.0 0.032 0.448 (1;000) ✗ 05/01/17
FeBiO3 ICSD 247765 Cc (9) ✗ 10 62 3 0.0 0.001 0.429 ? ✗ 06/10/16
Zr2NiAs2 ICSD 68141 P6_3/mmc (194) ✔ 10 56 3 0.0 0.002 0.296 (0;000) ✗ 05/01/17
KO2 ICSD 38230 C2/c (15) ✔ 6 42 2 0.0 0.000 0.626 (1;011) ✔ 27/01/17
MgVO3 COD 1527260 Cmmm (65) ✔ 10 82 3 0.0 0.002 0.420 (0;001) ✗ 27/01/17
BC5 ICSD 166556 P-1 (2) ✔ 12 46 3 0.0 0.084 0.417 (1;110) ✗ 06/10/16
FeBiO3 ICSD 260118 R3c (161) ✗ 10 62 3 0.0 0.001 0.605 ? ✗ 06/10/16
As2PdO6 ICSD 187099 P-31m (162) ✔ 9 64 3 0.0 0.000 0.618 (0;000) ✗ 05/01/17
MgTi2O4 ICSD 184696 Fd-3m (227) ✔ 14 116 3 0.0 0.004 0.636 (0;000) ✗ 27/01/17
MgV2O4 COD 9012338 Fd-3m (227) ✔ 14 120 3 0.0 0.000 0.608 (0;000) ✗ 27/01/17
MgWO4 ICSD 36310 P2/c (13) ✔ 12 96 3 0.0 0.001 1.000 (1;010) ✗ 27/01/17
FeBiO3 ICSD 260119 R3c (161) ✗ 10 62 3 0.0 0.001 0.531 ? ✗ 06/10/16
CaGa ICSD 260641 Ccmm (63) ✔ 4 46 1 0.0 0.000 0.830 (0;000) ✗ 06/10/16
FeBiO3 ICSD 51664 R3c (161) ✗ 10 62 3 0.0 0.000 0.523 ? ✗ 06/10/16
Sr(AsPd)2 ICSD 36374 I4/mmm (139) ✔ 5 56 3 0.0 0.009 0.729 (0;111) ✗ 05/01/17
Sr(AsRu)2 ICSD 611298 I4/mmm (139) ✔ 5 52 2 0.0 0.007 0.548 (1;000) ✗ 05/01/17
FeBiO3 ICSD 75324 R3c (161) ✗ 10 62 3 0.0 0.001 0.525 ? ✗ 06/10/16
Sr(SnAs)2 COD 1008735 R-3m (166) ✔ 5 48 2 0.0 0.091 0.028 (1;000) ✗ 05/01/17
Mg COD 4111965 P6_3/mmc (194) ✔ 2 20 0 0.0 0.011 0.445 (1;000) ✗ 27/01/17
CaGe2 ICSD 185655 P6_3mc (186) ✗ 6 36 1 0.0 0.071 0.116 (1;000) ✔ 04/10/16
NbSb2 ICSD 18144 C2/m (12) ✔ 6 46 3 0.0 0.029 0.087 (0;100) ✔ 04/10/16
RuBr3 ICSD 28119 Cm2m (38) ✗ 8 74 1 0.0 0.064 0.330 (0;000) ✔ 06/10/16
MgPd2 ICSD 150227 Pnma (62) ✔ 12 184 3 0.0 0.003 0.397 (0;000) ✗ 27/01/17
MgPd3 ICSD 153055 Pm-3m (221) ✔ 4 64 3 0.0 0.000 0.629 (1;111) ✗ 27/01/17
MgPd COD 1522945 Pm-3m (221) ✔ 2 28 3 0.0 0.044 0.512 (1;000) ✗ 27/01/17
MgPt3 COD 1522946 P4/mmm (123) ✔ 4 40 3 0.0 0.034 0.414 (1;000) ✗ 27/01/17
CaGe ICSD 185653 Cmcm (63) ✔ 4 28 1 0.0 0.031 0.197 (0;110) ✗ 06/10/16
CaP3 ICSD 74479 P-1 (2) ✔ 8 50 1 0.0 0.016 0.024 (1;010) ✗ 27/01/17
SrMg COD 1522615 Pm-3m (221) ✔ 2 20 1 0.0 0.000 0.620 (0;111) ✗ 27/01/17
MgW COD 9015083 Pmma (51) ✔ 4 48 1 0.0 0.094 0.191 (0;000) ✗ 27/01/17
MgZn2 ICSD 150576 Cmcm (63) ✔ 6 68 3 0.0 0.000 0.492 (1;110) ✗ 27/01/17
MgZn2 COD 5910078 P6_3/mmc (194) ✔ 12 136 3 0.0 0.003 0.511 (1;000) ✗ 27/01/17
Mn2Nb ICSD 109268 P6_3/mmc (194) ✔ 12 172 3 0.0 0.002 0.636 (0;000) ✗ 27/01/17
Mn2N ICSD 42979 Pbcn (60) ✔ 12 140 3 0.0 0.000 0.541 (1;101) ✗ 27/01/17
Mn2ZnO4 COD 9012842 I4_1/amd (141) ✔ 14 132 3 0.0 0.011 0.430 (1;111) ✗ 27/01/17
Mn2P2O7 COD 1530319 C2/m (12) ✔ 11 82 3 0.0 0.029 0.185 (1;111) ✗ 27/01/17
Mn2V2O7 COD 9009314 C2/m (12) ✔ 11 98 3 0.0 0.000 0.755 (0;000) ✗ 27/01/17
Sr(MnP)2 ICSD 77670 P-3m1 (164) ✔ 5 50 2 0.0 0.012 0.406 (1;001) ✗ 27/01/17
Mn2SnS4 ICSD 23265 Cmmm (65) ✔ 7 68 3 0.0 0.005 0.524 (0;001) ✗ 27/01/17
Sr(MnSb)2 ICSD 41790 P-3m1 (164) ✔ 5 50 2 0.0 0.010 0.538 (1;001) ✗ 27/01/17
FeBiO3 ICSD 97591 R3c (161) ✗ 10 62 3 0.0 0.000 0.523 ? ✗ 06/10/16
Mn2Sb COD 9008320 P4/nmm (129) ✔ 6 70 3 0.0 0.000 0.781 (1;000) ✗ 27/01/17
Mn2Sn COD 1523342 P6_3/mmc (194) ✔ 6 88 3 0.0 0.003 0.617 (0;000) ✗ 27/01/17
Mn2SnW COD 1523150 Fm-3m (225) ✔ 4 58 3 0.0 0.037 0.237 (1;000) ✗ 27/01/17
TaMn2 ICSD 643763 P6_3/mmc (194) ✔ 12 172 3 0.0 0.002 0.668 (1;000) ✗ 27/01/17
YMn2 ICSD 105002 Fd-3m (227) ✔ 6 82 3 0.0 0.000 0.968 (0;000) ✗ 27/01/17
ZrMn2 ICSD 643938 P6_3/mmc (194) ✔ 12 136 3 0.0 0.002 0.892 (0;000) ✗ 27/01/17
Mn3PdN COD 1009045 Pm-3m (221) ✔ 5 68 3 0.0 0.000 0.622 (1;000) ✗ 27/01/17
Mn3PtN COD 1009046 Pm-3m (221) ✔ 5 60 3 0.0 0.001 0.632 (0;111) ✗ 27/01/17
Mn3ZnN COD 1009051 Pm-3m (221) ✔ 5 62 3 0.0 0.000 0.450 (1;000) ✗ 27/01/17
Mn3Sb ICSD 163333 Pm-3m (221) ✔ 4 50 3 0.0 0.001 0.605 (0;000) ✗ 27/01/17
Mn3Sn COD 1522909 P6_3/mmc (194) ✔ 8 118 3 0.0 0.000 0.879 (1;000) ✗ 27/01/17
Mn5Si3 COD 9013430 P6_3/mcm (193) ✔ 16 174 3 0.0 0.000 0.949 (1;000) ✗ 27/01/17
Mn ICSD 163245 I4_1/amd (141) ✔ 2 30 3 0.0 0.000 0.841 (1;111) ✗ 27/01/17
MnMoO4 ICSD 61078 P2/c (13) ✔ 12 106 3 0.0 0.000 0.660 (1;010) ✗ 27/01/17
NaMnO2 COD 1527537 Pmmn (59) ✔ 8 72 1 0.0 0.000 0.211 (0;001) ✗ 27/01/17
NaMnO2 COD 1527918 C2/m (12) ✔ 4 36 2 0.0 0.057 0.372 (0;000) ✗ 27/01/17
NaMnP ICSD 60728 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.869 (1;000) ✗ 27/01/17
NaMnSb ICSD 60734 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.867 (1;000) ✗ 27/01/17
MnNbP ICSD 68280 Pnma (62) ✔ 12 132 3 0.0 0.000 0.461 (0;011) ✗ 27/01/17
MnNi2Sb ICSD 76080 Fm-3m (225) ✔ 4 40 3 0.0 0.010 0.391 (1;000) ✗ 27/01/17
MnN ICSD 236808 Fm-3m (225) ✔ 2 20 3 0.0 0.000 0.287 (1;000) ✗ 27/01/17
MnNiO3 ICSD 31853 R-3 (148) ✔ 10 86 3 0.0 0.012 0.447 (0;000) ✗ 27/01/17
MnNiP ICSD 643093 Pnma (62) ✔ 12 120 3 0.0 0.000 0.399 (0;000) ✗ 27/01/17
MnSiNi ICSD 108590 P6_3/mmc (194) ✔ 6 58 3 0.0 0.000 0.965 (0;000) ✗ 27/01/17
MnSiNi ICSD 165241 Pnma (62) ✔ 12 116 3 0.0 0.001 0.534 (0;011) ✗ 27/01/17
MnO2 COD 9015694 Cmmm (65) ✔ 6 54 3 0.0 0.010 0.783 (0;110) ✗ 27/01/17
MnSnO3 COD 1004021 R-3 (148) ✔ 10 94 3 0.0 0.002 0.322 (0;111) ✗ 27/01/17
MnReO4 COD 2100243 P2/c (13) ✔ 12 108 3 0.0 0.020 0.091 (1;110) ✗ 27/01/17
Mn(RhO2)2 ICSD 109300 Fd-3m (227) ✔ 14 146 3 0.0 0.000 0.778 (0;000) ✗ 27/01/17
MnSeO4 ICSD 109071 Cmcm (63) ✔ 12 90 3 0.0 0.001 0.451 (0;000) ✗ 27/01/17
MnSO4 ICSD 23840 Cmcm (63) ✔ 12 90 3 0.0 0.000 0.517 (0;000) ✗ 27/01/17
Ti2MnO4 ICSD 22383 Fd-3m (227) ✔ 14 126 3 0.0 0.000 0.423 (0;000) ✗ 27/01/17
MnV2O4 COD 9014940 Fd-3m (227) ✔ 14 130 3 0.0 0.000 0.621 (0;000) ✗ 27/01/17
MnSi2O5 COD 9001951 C2/c (15) ✔ 16 106 3 0.0 0.000 0.431 (1;101) ✗ 27/01/17
MnRe(PbO3)2 ICSD 182001 Fm-3m (225) ✔ 10 94 3 0.0 0.130 0.255 (0;000) ✗ 27/01/17
Te3As2 ICSD 68110 R-3m (166) ✔ 5 28 2 0.0 0.077 0.045 (1;000) ✗ 05/01/17
MnSbPd2 ICSD 76100 Fm-3m (225) ✔ 4 56 3 0.0 0.000 0.585 (1;000) ✗ 27/01/17
MnP COD 9008934 Pnma (62) ✔ 8 80 3 0.0 0.005 0.257 (1;000) ✗ 27/01/17
RbMnP COD 1521903 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.802 (1;001) ✗ 27/01/17
TaMnP ICSD 85947 Pnma (62) ✔ 12 132 3 0.0 0.001 0.656 (0;011) ✗ 27/01/17
ZrMnP ICSD 76095 Pnma (62) ✔ 12 96 3 0.0 0.007 0.554 (1;000) ✗ 27/01/17
RbMnSb ICSD 41868 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.782 (0;001) ✗ 27/01/17
BiTeI ICSD 10500 P3m1 (156) ✗ 3 18 2 0.0 0.006 0.255 (0;000) ✔ 06/10/16
MnRh COD 1522186 Pm-3m (221) ✔ 2 32 3 0.0 0.027 0.490 (0;000) ✗ 27/01/17
MnSb COD 9008900 P6_3/mmc (194) ✔ 4 40 3 0.0 0.007 0.421 (1;000) ✗ 27/01/17
MnSe ICSD 76218 P6_3/mmc (194) ✔ 4 42 3 0.0 0.000 0.684 (0;000) ✗ 27/01/17
YMnSi ICSD 76235 P4/nmm (129) ✔ 6 60 3 0.0 0.003 0.513 (0;001) ✗ 27/01/17
ZrMnSi ICSD 76236 Pnma (62) ✔ 12 92 3 0.0 0.000 0.849 (1;011) ✗ 27/01/17
MnSn2 COD 1524517 I4/mcm (140) ✔ 6 86 3 0.0 0.000 0.678 (1;111) ✗ 27/01/17
SrMnSn ICSD 66951 P4/nmm (129) ✔ 6 78 1 0.0 0.000 0.819 (1;000) ✗ 27/01/17
SrMnSn ICSD 66963 P4/nmm (129) ✔ 6 78 1 0.0 0.000 0.868 (0;000) ✗ 27/01/17
MnTe ICSD 76241 Pnma (62) ✔ 8 84 3 0.0 0.000 0.497 (1;011) ✗ 27/01/17
MnTe COD 9008901 P6_3/mmc (194) ✔ 4 42 3 0.0 0.001 0.613 (0;000) ✗ 27/01/17
MnV COD 1522977 Pm-3m (221) ✔ 2 28 3 0.0 0.008 0.217 (1;111) ✗ 27/01/17
Mo2N ICSD 30593 I4_1/amd (141) ✔ 6 66 3 0.0 0.000 0.793 (1;111) ✗ 02/02/17
Zn3As2 COD 1010125 Pn-3m (224) ✔ 10 92 3 0.0 0.017 0.172 (0;111) ✗ 05/01/17
Sb(MoS)2 COD 4002550 P2_1/m (11) ✔ 10 90 3 0.0 0.000 0.609 (1;001) ✗ 27/01/17
Mo2S3 COD 1527605 P2_1/m (11) ✔ 10 92 3 0.0 0.021 0.866 (1;001) ✗ 27/01/17
ZrMo2 COD 1522745 Fd-3m (227) ✔ 6 64 3 0.0 0.000 0.693 (0;000) ✗ 27/01/17
Mo3Os COD 1522994 Pm-3n (223) ✔ 8 116 3 0.0 0.000 0.692 (0;111) ✗ 27/01/17
Mo3Pt COD 1522788 Pm-3n (223) ✔ 8 104 3 0.0 0.000 0.599 (1;000) ✗ 27/01/17
SiMo3 ICSD 644417 Pm-3n (223) ✔ 8 92 3 0.0 0.000 0.864 (0;111) ✗ 27/01/17
SnMo3 COD 1521796 Pm-3n (223) ✔ 8 112 3 0.0 0.000 0.805 (0;111) ✗ 27/01/17
ZrMo3 COD 1523052 Pm-3n (223) ✔ 8 92 3 0.0 0.000 0.613 (1;111) ✗ 27/01/17
Mo ICSD 45000 P6/mmm (191) ✔ 1 14 3 0.0 0.002 0.500 (1;001) ✗ 27/01/17
CaAs3 COD 1529689 P-1 (2) ✔ 8 50 1 0.0 0.060 0.008 (1;100) ✗ 05/01/17
Ni3Mo COD 1522820 Pmmn (59) ✔ 8 88 3 0.0 0.008 0.773 (1;000) ✗ 27/01/17
Ni4Mo COD 1523776 I4/m (87) ✔ 5 54 3 0.0 0.001 0.721 (1;000) ✗ 27/01/17
MoN ICSD 106926 Imma (74) ✔ 4 38 3 0.0 0.000 0.816 (1;110) ✗ 27/01/17
BiTeI ICSD 74501 P3m1 (156) ✗ 3 18 2 0.0 0.003 0.261 (0;000) ✔ 06/10/16
NiMoO4 ICSD 81060 P2/c (13) ✔ 12 96 3 0.0 0.014 0.472 (0;110) ✗ 27/01/17
Sr2NiMoO6 ICSD 28600 Fm-3m (225) ✔ 10 80 3 0.0 0.000 0.768 (0;000) ✗ 27/01/17
NiMoP2 ICSD 76283 P6_3/mmc (194) ✔ 8 68 3 0.0 0.016 0.293 (0;000) ✗ 27/01/17
TaMoN COD 1525430 P4/nmm (129) ✔ 6 64 3 0.0 0.001 0.382 (1;000) ✗ 27/01/17
MoO2 ICSD 99714 P4_2/mnm (136) ✔ 6 52 3 0.0 0.007 0.254 (0;000) ✗ 27/01/17
MoO2 COD 9009090 Pnnm (58) ✔ 6 52 3 0.0 0.009 0.278 (0;000) ✗ 27/01/17
SrMoO3 ICSD 174206 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.772 (0;000) ✗ 27/01/17
SrMoO3 ICSD 174207 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.772 (0;000) ✗ 27/01/17
CsZn4As3 COD 4326066 P4/mmm (123) ✔ 8 72 2 0.0 0.040 0.073 (0;001) ✗ 05/01/17
Sr2MoO4 ICSD 152123 I4/mmm (139) ✔ 7 58 3 0.0 0.050 0.763 (0;000) ✗ 27/01/17
SrMoO4 ICSD 248458 I4_1/a (88) ✔ 12 96 3 0.0 0.008 0.161 (1;111) ✗ 27/01/17
Mo2As3 ICSD 43184 C2/m (12) ✔ 10 86 3 0.0 0.017 0.254 (0;111) ✗ 05/01/17
RbZn4As3 COD 4326074 P4/mmm (123) ✔ 8 72 2 0.0 0.021 0.003 (0;001) ✗ 05/01/17
MoPO5 ICSD 36095 P4/n (85) ✔ 14 98 3 0.0 0.000 0.503 (1;001) ✗ 27/01/17
VMoO5 ICSD 27315 P4/n (85) ✔ 14 114 3 0.0 0.000 0.454 (1;001) ✗ 27/01/17
Mo(RhO3)2 COD 1008254 P4_2/mnm (136) ✔ 18 168 3 0.0 0.006 0.445 (1;000) ✗ 27/01/17
Sr2TiMoO6 ICSD 189335 P-1 (2) ✔ 10 82 3 0.0 0.048 0.745 (0;000) ✗ 27/01/17
CaSi ICSD 190659 Cmcm (63) ✔ 4 28 1 0.0 0.007 0.172 (1;000) ✗ 06/10/16
Mo COD 9008474 Fm-3m (225) ✔ 1 14 3 0.0 0.010 0.426 (0;000) ✗ 27/01/17
Mo COD 9012432 Im-3m (229) ✔ 1 14 3 0.0 0.000 0.546 (0;111) ✗ 27/01/17
MoP4 COD 2106092 C2/c (15) ✔ 10 68 2 0.0 0.019 0.126 (1;000) ✗ 27/01/17
MoPRu COD 1532784 Pnma (62) ✔ 12 140 3 0.0 0.000 0.713 (0;011) ✗ 27/01/17
MoPt2 COD 1522847 Immm (71) ✔ 3 34 3 0.0 0.047 0.690 (1;111) ✗ 27/01/17
MoPt ICSD 644160 Pmma (51) ✔ 4 48 3 0.0 0.065 0.516 (0;101) ✗ 27/01/17
MoRh3 COD 1523677 P6_3/mmc (194) ✔ 8 130 3 0.0 0.000 0.830 (0;000) ✗ 27/01/17
BiTeI ICSD 79364 P3m1 (156) ✗ 3 18 2 0.0 0.006 0.006 (1;100) ✔ 06/10/16
Mo5As4 ICSD 43187 I4/m (87) ✔ 9 90 3 0.0 0.001 0.537 (1;000) ✗ 05/01/17
Mo5As4 ICSD 610956 I4/m (87) ✔ 9 90 3 0.0 0.001 0.847 (1;111) ✗ 05/01/17
BaAsAu ICSD 420341 P6_3/mmc (194) ✔ 6 52 2 0.0 0.000 0.046 (1;000) ✗ 05/01/17
Si2Mo COD 1010282 I4/mmm (139) ✔ 3 22 3 0.0 0.040 0.239 (1;111) ✗ 27/01/17
CaAsAu ICSD 107915 P6_3/mmc (194) ✔ 6 52 2 0.0 0.020 0.040 (1;000) ✗ 05/01/17
Zn6Mo ICSD 260686 Fm-3m (225) ✔ 7 86 3 0.0 0.000 0.535 (1;000) ✗ 27/01/17
Zn7Mo ICSD 130003 Fm-3m (225) ✔ 8 98 3 0.0 0.056 0.627 (1;000) ✗ 27/01/17
TiSi2 ICSD 168418 Cmcm (63) ✔ 6 40 3 0.0 0.009 0.350 (0;110) ✗ 27/01/17
ScAl3 ICSD 107878 Pm-3m (221) ✔ 4 20 3 0.0 0.000 0.463 (0;111) ✗ 05/01/17
BaCuAs ICSD 41705 P6_3/mmc (194) ✔ 6 52 3 0.0 0.214 0.134 (0;000) ✗ 05/01/17
CdC ICSD 183178 F-43m (216) ✗ 2 16 3 0.0 0.000 0.842 (0;000) ✔ 06/10/16
N2O COD 1010149 Pn-3m (224) ✔ 12 64 3 0.0 0.004 0.551 (0;000) ✗ 27/01/17
Zr2SeN2 ICSD 424266 P6_3/mmc (194) ✔ 10 48 3 0.0 1.360 0.034 (0;000) ✗ 27/01/17
LaS ICSD 69581 Cm2e (39) ✗ 4 18 2 0.0 0.001 0.772 (0;010) ✔ 06/10/16
SrN2 ICSD 423722 I4/mmm (139) ✔ 3 20 1 0.0 0.005 0.580 (0;000) ✗ 27/01/17
CaSn ICSD 165193 Cmcm (63) ✔ 4 48 1 0.0 0.065 0.315 (0;110) ✗ 06/10/16
SrZrN2 ICSD 82537 R-3m (166) ✔ 4 24 2 0.0 0.609 0.011 (0;000) ✗ 27/01/17
BaMnAsF ICSD 248365 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.857 (0;000) ✗ 05/01/17
HfAu2 ICSD 611956 I4/mmm (139) ✔ 3 34 3 0.0 0.007 0.298 (1;000) ✗ 05/01/17
BiPd2Pb ICSD 58830 Cm (8) ✗ 8 130 3 0.0 0.009 0.811 (1;011) ✔ 28/11/16
WN2 ICSD 30364 R-3m (166) ✔ 3 24 2 0.0 0.002 0.186 (1;000) ✗ 27/01/17
CaSn ICSD 55220 Ccmm (63) ✔ 4 48 3 0.0 0.013 0.316 (1;000) ✗ 06/10/16
NaN3 ICSD 29383 C2/m (12) ✔ 4 24 1 0.0 0.008 0.483 (0;110) ✗ 27/01/17
BiTePd ICSD 70060 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.727 ? ✗ 06/10/16
RbN3 COD 1010040 P4/mmm (123) ✔ 4 24 1 0.0 0.001 0.299 (1;000) ✗ 27/01/17
BiTePt ICSD 42549 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.739 ? ✗ 06/10/16
Ca2As COD 9008351 I4/mmm (139) ✔ 6 50 1 0.0 0.008 0.092 (0;000) ✗ 05/01/17
La2O3 ICSD 26864 P321 (150) ✗ 5 24 3 0.0 0.004 0.297 (1;000) ✔ 06/10/16
W3N4 ICSD 30370 Pm-3m (221) ✔ 7 62 3 0.0 0.011 0.745 (1;111) ✗ 27/01/17
CaTe ICSD 41959 Pnma (62) ✔ 8 64 3 0.0 0.022 0.119 (0;000) ✗ 27/01/17
Ge3(BiTe3)2 ICSD 658931 R3m (160) ✗ 11 58 2 0.0 0.040 0.226 ? ✗ 06/10/16
CaCuAs ICSD 659435 P6_3/mmc (194) ✔ 6 52 2 0.0 0.386 0.035 (0;000) ✗ 05/01/17
CaFeAsF ICSD 186504 P4/nmm (129) ✔ 8 60 1 0.0 0.008 0.457 (0;000) ✗ 05/01/17
CaZn ICSD 184361 Cmcm (63) ✔ 4 44 1 0.0 0.012 0.543 (1;110) ✗ 27/01/17
Na2SO4 ICSD 27955 P-3m1 (164) ✔ 14 96 1 0.0 0.000 0.521 (1;000) ✗ 27/01/17
HfCoAs ICSD 406953 Pnma (62) ✔ 12 136 3 0.0 0.026 0.019 (1;000) ✗ 05/01/17
LiCoAs ICSD 107932 P4/nmm (129) ✔ 6 50 2 0.0 0.000 0.776 (0;001) ✗ 05/01/17
MnCoAs ICSD 610084 Pnma (62) ✔ 12 148 3 0.0 0.001 0.503 (1;011) ✗ 05/01/17
GaAs ICSD 43950 I2mm (44) ✗ 2 18 3 0.0 0.036 0.463 (0;111) ✔ 06/10/16
Na2Ti2Sb2O ICSD 91204 I4/mmm (139) ✔ 7 58 1 0.0 0.019 0.592 (0;000) ✗ 27/01/17
CrC ICSD 181709 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.443 (0;100) ✔ 06/10/16
LiRh ICSD 150551 P-6m2 (187) ✗ 2 20 3 0.0 0.034 0.321 (0;100) ✔ 06/10/16
CaZn ICSD 58944 Ccmm (63) ✔ 4 44 1 0.0 0.019 0.538 (0;110) ✗ 06/10/16
NbCoAs ICSD 610089 Pnma (62) ✔ 12 140 3 0.0 0.000 0.332 (1;011) ✗ 05/01/17
CoAs COD 9007664 Pnma (62) ✔ 8 88 3 0.0 0.024 0.383 (0;000) ✗ 05/01/17
CoAs COD 9008927 Cmcm (63) ✔ 4 44 3 0.0 0.026 0.658 (0;000) ✗ 05/01/17
CoAsRh COD 1008977 Pnma (62) ✔ 12 156 3 0.0 0.001 0.466 (1;011) ✗ 05/01/17
Na ICSD 189460 Pnma (62) ✔ 8 72 3 0.0 0.273 0.143 (0;000) ✗ 27/01/17
Ca3Hg ICSD 58903 Pm-3m (221) ✔ 4 42 1 0.0 0.000 0.492 (1;000) ✗ 27/01/17
CoAsS ICSD 44607 P2_1/c (14) ✔ 12 112 3 0.0 0.019 0.303 (0;000) ✗ 05/01/17
Cr2As COD 9008330 P4/nmm (129) ✔ 6 66 3 0.0 0.000 0.594 (0;001) ✗ 05/01/17
Cr3AsN ICSD 25760 I4/mcm (140) ✔ 10 104 3 0.0 0.002 0.578 (0;111) ✗ 05/01/17
CrAs ICSD 107934 P6_3/mmc (194) ✔ 4 38 3 0.0 0.000 0.793 (1;000) ✗ 05/01/17
LiRh3 ICSD 642290 Im2m (44) ✗ 4 54 3 0.0 0.001 0.690 (0;101) ✔ 06/10/16
NaO2 ICSD 26582 Pa3 (205) ✔ 12 84 1 0.0 0.000 0.289 (0;111) ✗ 27/01/17
Ca3Zn ICSD 184359 Cmcm (63) ✔ 8 84 1 0.0 0.002 0.471 (1;110) ✗ 02/02/17
NaO2 ICSD 87181 Pnnm (58) ✔ 6 42 1 0.0 0.000 0.983 (0;101) ✗ 27/01/17
CrAs COD 9008929 Pnma (62) ✔ 8 76 3 0.0 0.000 0.447 (1;011) ✗ 05/01/17
Ca3SiBr2 ICSD 89541 R3m (160) ✗ 6 48 1 0.0 0.002 0.536 (1;000) ✔ 05/12/16
NaVO2 ICSD 420137 R-3m (166) ✔ 4 34 2 0.0 0.003 0.470 (0;000) ✗ 27/01/17
CsMnAs ICSD 40572 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.833 (1;001) ✗ 05/01/17
Cu2As COD 1527863 P4/nmm (129) ✔ 6 54 3 0.0 0.000 0.811 (1;000) ✗ 05/01/17
MgCd ICSD 102022 Pmmb (51) ✔ 4 44 3 0.0 0.023 0.371 (0;100) ✗ 06/10/16
Ca3SiBr2 ICSD 89542 R3m (160) ✗ 6 48 1 0.0 0.004 0.425 ? ✗ 06/10/16
NaPd3O4 ICSD 245608 Pm-3n (223) ✔ 16 174 3 0.0 0.000 0.909 (0;000) ✗ 27/01/17
NaPt3O4 ICSD 32546 Pm-3n (223) ✔ 16 126 3 0.0 0.000 0.761 (1;000) ✗ 27/01/17
HfSiCuAs ICSD 610322 P4/nmm (129) ✔ 8 64 3 0.0 0.050 0.067 (0;001) ✗ 05/01/17
CuAs ICSD 610308 P6_3/mmc (194) ✔ 4 32 3 0.0 0.002 0.473 (1;000) ✗ 05/01/17
NaV2O4 COD 4330682 C2/c (15) ✔ 14 118 2 0.0 0.000 0.511 (0;101) ✗ 27/01/17
NaV2O5 COD 1525676 Pmmn (59) ✔ 16 130 2 0.0 0.000 0.992 (1;010) ✗ 27/01/17
NaV(SO4)2 ICSD 71760 C2/m (12) ✔ 12 82 2 0.0 0.024 0.674 (0;000) ✗ 27/01/17
Na COD 9008507 P6_3/mmc (194) ✔ 2 18 1 0.0 0.000 0.720 (0;000) ✗ 27/01/17
Ca3SiBr2 ICSD 89543 P-6m2 (187) ✗ 6 48 1 0.0 0.004 0.331 ? ✗ 06/10/16
NaPt2 COD 2020042 Fd-3m (227) ✔ 6 58 3 0.0 0.000 0.684 (0;000) ✗ 27/01/17
Li2CuAs ICSD 43938 P6_3/mmc (194) ✔ 8 44 2 0.0 0.467 0.219 (0;000) ✗ 05/01/17
MgCuAs COD 9008319 P4/nmm (129) ✔ 6 52 3 0.0 0.027 0.307 (1;000) ✗ 05/01/17
CrAu4 ICSD 611737 I4/m (87) ✔ 5 58 3 0.0 0.001 0.459 (0;111) ✗ 05/01/17
CdTe ICSD 246692 Cmcm (63) ✔ 4 36 3 0.0 0.131 0.244 (0;000) ✗ 27/01/17
NaVS2 ICSD 76541 R-3m (166) ✔ 4 34 2 0.0 0.003 0.331 (0;000) ✗ 27/01/17
Ca3SiBr2 ICSD 89544 Cm (8) ✗ 6 48 1 0.0 0.003 0.511 ? ✗ 06/10/16
NaZnSb COD 7221369 P4/nmm (129) ✔ 6 52 1 0.0 0.025 0.097 (0;000) ✗ 27/01/17
NaVSe2 ICSD 77597 R-3m (166) ✔ 4 34 2 0.0 0.001 0.319 (0;000) ✗ 27/01/17
MnCuAs ICSD 423230 P4/nmm (129) ✔ 6 62 3 0.0 0.000 0.811 (1;000) ✗ 05/01/17
MnCuAs ICSD 72413 Pnma (62) ✔ 12 124 3 0.0 0.000 0.258 (1;011) ✗ 05/01/17
NaTl COD 1522845 Fd-3m (227) ✔ 4 44 3 0.0 0.228 0.278 (0;000) ✗ 27/01/17
Ca3SiBr2 ICSD 89545 Cm (8) ✗ 6 48 1 0.0 0.001 0.512 ? ✗ 06/10/16
Nb2PdS6 ICSD 600718 C2/m (12) ✔ 9 80 3 0.0 0.031 0.279 (1;000) ✗ 27/01/17
Nb2PdSe6 ICSD 600719 C2/m (12) ✔ 9 80 3 0.0 0.024 0.334 (1;001) ✗ 27/01/17
Ti(NbSe2)2 ICSD 645395 C2/m (12) ✔ 7 62 3 0.0 0.024 0.723 (0;000) ✗ 27/01/17
Nb3Os COD 1523064 Pm-3n (223) ✔ 8 110 3 0.0 0.000 0.779 (0;000) ✗ 27/01/17
Nb3Pb COD 1523834 Pm-3n (223) ✔ 8 106 3 0.0 0.000 0.825 (1;000) ✗ 27/01/17
Nb3Pt COD 1523069 Pm-3n (223) ✔ 8 98 3 0.0 0.000 0.496 (0;000) ✗ 27/01/17
Nb3Rh ICSD 105216 Pm-3n (223) ✔ 8 112 3 0.0 0.001 0.614 (0;000) ✗ 27/01/17
Nb3Sb ICSD 645349 Pm-3n (223) ✔ 8 88 3 0.0 0.003 0.278 (1;000) ✗ 27/01/17
Nb3Si ICSD 76584 Pm-3n (223) ✔ 8 86 3 0.0 0.000 0.833 (1;000) ✗ 27/01/17
Nb3Sn COD 1523423 Pm-3n (223) ✔ 8 106 3 0.0 0.000 0.893 (1;000) ✗ 27/01/17
Nb3Te COD 1523365 Pm-3n (223) ✔ 8 90 3 0.0 0.000 0.739 (0;000) ✗ 27/01/17
Nb3Tl COD 1521727 Pm-3n (223) ✔ 8 104 3 0.0 0.000 0.832 (1;111) ✗ 27/01/17
Nb4NiP ICSD 645089 P4/mcc (124) ✔ 12 134 3 0.0 0.000 0.664 (1;000) ✗ 27/01/17
Nb4SiNi ICSD 76559 P4/mcc (124) ✔ 12 132 3 0.0 0.004 0.349 (1;110) ✗ 27/01/17
NbNi3 COD 1522733 Pmmn (59) ✔ 8 86 3 0.0 0.000 0.830 (0;000) ✗ 27/01/17
NbNiP ICSD 645088 Pnma (62) ✔ 12 112 3 0.0 0.013 0.279 (0;000) ✗ 27/01/17
NbSiNi ICSD 645107 Pnma (62) ✔ 12 108 3 0.0 0.001 0.382 (1;011) ✗ 27/01/17
NbO2 ICSD 56018 P4_2/mnm (136) ✔ 6 50 3 0.0 0.000 0.924 (0;000) ✗ 27/01/17
ZrSiCuAs ICSD 42165 P4/nmm (129) ✔ 8 48 3 0.0 0.015 0.079 (0;001) ✗ 05/01/17
CdTe ICSD 620523 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.272 (1;000) ✗ 06/10/16
NbPbS2 ICSD 74698 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.979 (1;000) ✗ 27/01/17
NbSiPd ICSD 416177 Pnma (62) ✔ 12 140 3 0.0 0.001 0.448 (1;011) ✗ 27/01/17
NbP COD 9008973 I4_1/amd (141) ✔ 4 36 3 0.0 0.011 0.453 (1;111) ✗ 27/01/17
NbPRh ICSD 645173 Pnma (62) ✔ 12 140 3 0.0 0.001 0.444 (1;011) ✗ 27/01/17
NbPRu ICSD 645175 Pnma (62) ✔ 12 136 3 0.0 0.041 0.110 (0;000) ✗ 27/01/17
NbPSe COD 4343766 Immm (71) ✔ 6 48 3 0.0 0.020 0.494 (0;000) ✗ 27/01/17
NbPS COD 4343765 Immm (71) ✔ 6 48 3 0.0 0.060 0.466 (0;000) ✗ 27/01/17
NbSiPt COD 1522281 Pnma (62) ✔ 12 108 3 0.0 0.001 0.465 (1;011) ✗ 27/01/17
NbVP ICSD 645178 Pnma (62) ✔ 12 124 3 0.0 0.000 0.707 (0;011) ✗ 27/01/17
NbRh3 COD 1523501 Pm-3m (221) ✔ 4 64 3 0.0 0.014 0.642 (0;111) ✗ 27/01/17
NbRh ICSD 645271 P2/m (10) ✔ 6 90 3 0.0 0.009 0.846 (0;110) ✗ 27/01/17
NbRh COD 1522782 Pmma (51) ✔ 4 60 3 0.0 0.004 0.545 (0;001) ✗ 27/01/17
NbRh COD 2310202 P4/mmm (123) ✔ 2 30 3 0.0 0.006 0.600 (0;111) ✗ 27/01/17
NbSiRh COD 1522283 Pnma (62) ✔ 12 136 3 0.0 0.037 0.152 (1;000) ✗ 27/01/17
NbS2 ICSD 43697 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.850 (1;000) ✗ 27/01/17
NbSnS2 COD 1524323 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.991 (1;000) ✗ 27/01/17
NbSb2 COD 2310580 C2/m (12) ✔ 6 46 3 0.0 0.030 0.174 (0;111) ✗ 27/01/17
NbSe2 ICSD 645383 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.896 (1;000) ✗ 27/01/17
NbSe2 COD 9014575 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.905 (0;000) ✗ 27/01/17
Si(NiO2)2 COD 9005829 Fd-3m (227) ✔ 14 96 3 0.0 0.006 0.582 (0;000) ✗ 27/01/17
Ni2P2O7 ICSD 30433 C2/m (12) ✔ 11 72 3 0.0 0.006 0.545 (1;000) ✗ 27/01/17
Zr(NiP)2 ICSD 76679 I4/mmm (139) ✔ 5 34 3 0.0 0.001 0.343 (1;000) ✗ 27/01/17
Sr(NiSb)2 ICSD 646442 I4/mmm (139) ✔ 5 40 3 0.0 0.009 0.764 (0;000) ✗ 27/01/17
ZrNi2Sb ICSD 162586 P6_3/mmc (194) ✔ 8 58 3 0.0 0.000 0.882 (0;000) ✗ 27/01/17
Sc2Ni2Sn ICSD 658917 P4/mbm (127) ✔ 10 112 3 0.0 0.002 0.732 (0;000) ✗ 27/01/17
ScNi2 COD 1523497 Fd-3m (227) ✔ 6 62 3 0.0 0.000 0.438 (0;000) ✗ 27/01/17
Zr(SiNi)2 COD 1530965 I4/mmm (139) ✔ 5 32 3 0.0 0.007 0.543 (0;000) ✗ 27/01/17
SiNi2 COD 1523551 P6_3/mmc (194) ✔ 6 48 3 0.0 0.001 0.711 (0;000) ✗ 27/01/17
SiNi2 COD 9009210 Pnma (62) ✔ 12 96 3 0.0 0.030 0.453 (0;000) ✗ 27/01/17
TiNi2Sn ICSD 646780 Fm-3m (225) ✔ 4 46 3 0.0 0.009 0.217 (1;000) ✗ 27/01/17
Y2Ni2Sn ICSD 186294 Immm (71) ✔ 5 56 3 0.0 0.024 0.399 (0;111) ✗ 27/01/17
Zr2Ni2Sn ICSD 54303 P4/mbm (127) ✔ 10 84 3 0.0 0.002 0.853 (1;001) ✗ 27/01/17
ZrNi2Sn ICSD 646823 Fm-3m (225) ✔ 4 38 3 0.0 0.010 0.226 (1;000) ✗ 27/01/17
YNi2 ICSD 647087 Fd-3m (227) ✔ 6 62 3 0.0 0.000 0.400 (0;000) ✗ 27/01/17
ZrNi2 COD 1523432 Fd-3m (227) ✔ 6 48 3 0.0 0.000 0.403 (0;000) ✗ 27/01/17
Ni3(PbS)2 COD 9000048 R-3m (166) ✔ 7 70 3 0.0 0.050 0.277 (0;111) ✗ 27/01/17
Ni3(PbSe)2 ICSD 646211 R-3m (166) ✔ 7 70 3 0.0 0.026 0.256 (0;111) ✗ 27/01/17
Ni3Pt ICSD 151193 Pm-3m (221) ✔ 4 40 3 0.0 0.000 0.631 (0;000) ✗ 27/01/17
SrCuAs ICSD 107943 P6_3/mmc (194) ✔ 6 52 2 0.0 0.185 0.079 (0;000) ✗ 05/01/17
Ni3(SnS)2 COD 1524229 R-3m (166) ✔ 7 70 3 0.0 0.021 0.392 (0;111) ✗ 27/01/17
Tl2Ni3S2 ICSD 108893 R-3m (166) ✔ 7 68 3 0.0 0.054 0.414 (0;111) ✗ 27/01/17
ZnNi3Sb2 ICSD 240197 P-3m1 (164) ✔ 6 52 3 0.0 0.003 0.629 (0;001) ✗ 27/01/17
Ni3Sb ICSD 646432 Pmmn (59) ✔ 8 70 3 0.0 0.000 0.898 (0;010) ✗ 27/01/17
Sc2SiNi3 ICSD 646484 P6_3/mmc (194) ✔ 12 112 3 0.0 0.005 0.537 (1;000) ✗ 27/01/17
Ni3Se4 COD 9009245 C2/m (12) ✔ 7 54 3 0.0 0.041 0.597 (0;000) ✗ 27/01/17
SiNi3 ICSD 646584 Pm-3m (221) ✔ 4 34 3 0.0 0.068 0.317 (0;111) ✗ 27/01/17
SiNi3 ICSD 646585 Pnma (62) ✔ 16 136 3 0.0 0.014 0.306 (0;000) ✗ 27/01/17
Ni3Sn4 COD 1522613 C2/m (12) ✔ 7 86 3 0.0 0.119 0.642 (1;001) ✗ 27/01/17
Ni3Sn COD 1522737 P6_3/mmc (194) ✔ 8 88 3 0.0 0.000 0.770 (1;000) ✗ 27/01/17
Ni3Sn COD 1522848 Fm-3m (225) ✔ 4 44 3 0.0 0.002 0.714 (0;000) ✗ 27/01/17
Ni3Sn COD 9014799 Pm-3m (221) ✔ 4 44 3 0.0 0.067 0.308 (0;111) ✗ 27/01/17
TaNi3 ICSD 54304 P2_1/m (11) ✔ 16 172 3 0.0 0.026 0.810 (1;011) ✗ 27/01/17
TaNi3 COD 1522734 Pmmn (59) ✔ 8 86 3 0.0 0.000 0.815 (0;000) ✗ 27/01/17
Ni3Te2 ICSD 99271 P2_1/m (11) ✔ 10 84 3 0.0 0.015 0.713 (1;000) ✗ 27/01/17
ZrNi3 COD 1523228 P6_3/mmc (194) ✔ 8 68 3 0.0 0.001 0.335 (0;000) ✗ 27/01/17
Sr(NiO2)4 ICSD 40469 R-3m (166) ✔ 13 98 2 0.0 0.001 0.809 (1;111) ✗ 27/01/17
Y(Ni2P)2 ICSD 189495 P4_2/mnm (136) ✔ 14 122 3 0.0 0.000 0.949 (1;000) ✗ 27/01/17
Zr(Ni2P)2 ICSD 76681 P4_2/mnm (136) ✔ 14 108 3 0.0 0.031 0.512 (1;000) ✗ 27/01/17
Ni4W COD 1523560 I4/m (87) ✔ 5 54 3 0.0 0.023 0.698 (1;000) ✗ 27/01/17
N2 ICSD 644518 P6_3/mmc (194) ✔ 2 10 1 0.0 0.000 0.808 (0;000) ✗ 27/01/17
CaCdPb ICSD 58877 P-62m (189) ✗ 9 108 3 0.0 0.000 0.383 (1;000) ✔ 05/12/16
N2 ICSD 95247 Imma (74) ✔ 2 10 1 0.0 0.000 0.540 (0;010) ✗ 27/01/17
Li2Si ICSD 24146 C2/m (12) ✔ 6 20 1 0.0 0.011 0.500 (1;001) ✔ 27/01/17
Rb2NiO2 ICSD 66277 I4/mmm (139) ✔ 5 40 1 0.0 0.051 0.639 (0;000) ✗ 27/01/17
SrNiO2 COD 2002309 Cmcm (63) ✔ 8 64 1 0.0 0.026 0.485 (0;000) ✗ 27/01/17
Ni(RhO2)2 ICSD 23487 I4_1/amd (141) ✔ 14 136 3 0.0 0.001 0.403 (1;111) ✗ 27/01/17
NiSeO4 ICSD 25700 Cmcm (63) ✔ 12 80 3 0.0 0.010 0.279 (0;000) ✗ 27/01/17
NiSO4 COD 2310652 Cmcm (63) ✔ 12 80 3 0.0 0.010 0.096 (0;000) ✗ 27/01/17
Sr2NiOsO6 ICSD 152442 I4/m (87) ✔ 10 82 3 0.0 0.014 0.265 (0;000) ✗ 27/01/17
Ni(SbO3)2 ICSD 80802 P4_2/mnm (136) ✔ 18 112 3 0.0 0.011 0.339 (0;000) ✗ 27/01/17
Sr2NiTeO6 ICSD 16225 C2/m (12) ✔ 10 72 3 0.0 0.007 0.430 (0;000) ✗ 27/01/17
Sr2NiWO6 ICSD 109165 Fm-3m (225) ✔ 10 80 3 0.0 0.000 0.368 (0;000) ✗ 27/01/17
Ni COD 9013007 P6_3/mmc (194) ✔ 2 20 3 0.0 0.001 0.590 (1;000) ✗ 27/01/17
Ni COD 9013034 Fm-3m (225) ✔ 1 10 3 0.0 0.000 0.579 (0;000) ✗ 27/01/17
NiO COD 4320490 Fm-3m (225) ✔ 2 16 3 0.0 0.000 0.631 (0;000) ✗ 27/01/17
Zr3NiO ICSD 71964 Cmcm (63) ✔ 10 56 3 0.0 0.007 0.682 (1;000) ✗ 27/01/17
SrCd2 ICSD 420579 Imcm (74) ✔ 6 68 3 0.0 0.020 0.472 (0;111) ✗ 06/10/16
NiP2 COD 9012503 Pa3 (205) ✔ 12 80 3 0.0 0.443 0.107 (0;000) ✗ 27/01/17
Zr2NiP2 ICSD 646195 P6_3/mmc (194) ✔ 10 56 3 0.0 0.004 0.299 (0;000) ✗ 27/01/17
ZrNiP2 ICSD 646193 P4/nmm (129) ✔ 8 48 2 0.0 0.001 0.336 (1;000) ✗ 27/01/17
NiPb ICSD 108642 P6_3/mmc (194) ✔ 4 48 3 0.0 0.095 0.654 (1;000) ✗ 27/01/17
Ni(TePd)2 ICSD 416512 Ibam (72) ✔ 10 116 3 0.0 0.025 0.540 (1;111) ✗ 27/01/17
NiTePd ICSD 419759 Pnma (62) ✔ 12 136 3 0.0 0.019 0.604 (1;000) ✗ 27/01/17
NiPRh ICSD 646132 P4/nmm (129) ✔ 6 64 3 0.0 0.042 0.356 (1;000) ✗ 27/01/17
NiPS3 ICSD 646133 C2/m (12) ✔ 10 66 2 0.0 0.006 0.203 (0;000) ✗ 27/01/17
ScNiP ICSD 50990 Pnma (62) ✔ 12 104 3 0.0 0.023 0.024 (1;000) ✗ 27/01/17
Ta4NiP ICSD 646156 P4/mcc (124) ✔ 12 134 3 0.0 0.000 0.714 (1;000) ✗ 27/01/17
TaNiP ICSD 646155 Pnma (62) ✔ 12 112 3 0.0 0.028 0.235 (0;000) ✗ 27/01/17
NiPt ICSD 646297 P4/mmm (123) ✔ 2 20 3 0.0 0.008 0.525 (0;000) ✗ 27/01/17
TiNiP ICSD 646165 Pnma (62) ✔ 12 108 3 0.0 0.000 0.334 (1;011) ✗ 27/01/17
VNiP ICSD 646176 Pnma (62) ✔ 12 112 3 0.0 0.010 0.167 (1;000) ✗ 27/01/17
Zr2NiP ICSD 84826 P2_1/m (11) ✔ 8 46 3 0.0 0.000 0.865 (0;010) ✗ 27/01/17
ZrNiP ICSD 87358 P6_3/mmc (194) ✔ 6 38 3 0.0 0.000 0.716 (0;000) ✗ 27/01/17
Ni(RhSe2)2 COD 1008058 C2/m (12) ✔ 7 68 3 0.0 0.009 0.436 (0;111) ✗ 27/01/17
NiSnRh2 COD 1522972 Fm-3m (225) ✔ 4 58 3 0.0 0.014 0.633 (0;000) ✗ 27/01/17
NiS2 COD 9008391 Pa3 (205) ✔ 12 88 3 0.0 0.005 0.619 (1;000) ✗ 27/01/17
Ti2NiS4 ICSD 646394 C2/m (12) ✔ 7 58 3 0.0 0.006 0.362 (1;111) ✗ 27/01/17
V2NiS4 ICSD 646403 C2/m (12) ✔ 7 60 3 0.0 0.023 0.308 (1;110) ✗ 27/01/17
Ti3NiS6 ICSD 26312 R-3 (148) ✔ 10 82 3 0.0 0.041 0.153 (1;111) ✗ 27/01/17
NiSb2 COD 9012583 Pnnm (58) ✔ 6 40 3 0.0 0.107 0.514 (1;000) ✗ 27/01/17
NiSb COD 9008903 P6_3/mmc (194) ✔ 4 30 3 0.0 0.000 0.746 (1;000) ✗ 27/01/17
ScSiNi COD 1523283 Pnma (62) ✔ 12 100 3 0.0 0.000 0.615 (0;011) ✗ 27/01/17
Si2NiSe4 ICSD 646533 C2/m (12) ✔ 7 42 3 0.0 0.024 0.736 (0;001) ✗ 27/01/17
Ti2NiSe4 ICSD 646544 C2/m (12) ✔ 7 58 3 0.0 0.023 0.398 (0;111) ✗ 27/01/17
V2NiSe4 ICSD 23970 C2/m (12) ✔ 7 60 3 0.0 0.024 0.362 (1;110) ✗ 27/01/17
V2NiSe4 COD 1008112 C2/m (12) ✔ 7 60 2 0.0 0.013 0.440 (1;111) ✗ 27/01/17
NiSe COD 9008904 P6_3/mmc (194) ✔ 4 32 3 0.0 0.004 0.389 (0;000) ✗ 27/01/17
Si2Ni COD 9009024 Fm-3m (225) ✔ 3 18 3 0.0 0.002 0.344 (0;000) ✗ 27/01/17
SiNi ICSD 30626 Pnma (62) ✔ 8 56 3 0.0 0.014 0.355 (0;000) ✗ 27/01/17
TiSiNi COD 2310665 Pnma (62) ✔ 12 104 3 0.0 0.016 0.137 (1;000) ✗ 27/01/17
VSiNi ICSD 165254 Pnma (62) ✔ 12 108 3 0.0 0.000 0.438 (1;011) ✗ 27/01/17
ZrSiNi ICSD 646693 Pnma (62) ✔ 12 72 3 0.0 0.019 0.179 (1;000) ✗ 27/01/17
NiSn COD 9008905 P6_3/mmc (194) ✔ 4 48 3 0.0 0.032 0.718 (0;000) ✗ 27/01/17
NiS COD 9009240 P6_3/mmc (194) ✔ 4 32 3 0.0 0.003 0.283 (0;000) ✗ 27/01/17
Ta2Ni COD 1524530 I4/mcm (140) ✔ 6 72 3 0.0 0.008 0.544 (0;111) ✗ 27/01/17
NiTe2 COD 9009113 P-3m1 (164) ✔ 3 22 3 0.0 0.162 0.460 (1;000) ✗ 27/01/17
NiTe ICSD 76730 R-3m (166) ✔ 4 32 2 0.0 0.007 0.863 (0;000) ✗ 27/01/17
NiTe COD 9008906 P6_3/mmc (194) ✔ 4 32 3 0.0 0.009 0.442 (1;000) ✗ 27/01/17
TiNi ICSD 657957 P2_1/m (11) ✔ 4 44 3 0.0 0.008 0.279 (0;001) ✗ 27/01/17
TiNi COD 1100132 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.859 (0;111) ✗ 27/01/17
TiNi COD 1522310 P2_1/m (11) ✔ 4 44 3 0.0 0.016 0.581 (1;000) ✗ 27/01/17
TiNi COD 9016342 P2_1/m (11) ✔ 4 44 3 0.0 0.014 0.469 (0;000) ✗ 27/01/17
TlNi COD 1523258 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.702 (1;000) ✗ 27/01/17
V3Ni ICSD 647028 Pm-3n (223) ✔ 8 98 3 0.0 0.000 0.557 (1;000) ✗ 27/01/17
YNi COD 2106095 Pnma (62) ✔ 8 84 3 0.0 0.002 0.524 (1;011) ✗ 27/01/17
ZnNi COD 1523806 Pm-3m (221) ✔ 2 22 3 0.0 0.004 0.551 (0;000) ✗ 27/01/17
Zr2Ni COD 2310220 I4/mcm (140) ✔ 6 36 3 0.0 0.003 0.228 (0;111) ✗ 27/01/17
ZrNi COD 2310219 Cmcm (63) ✔ 4 28 3 0.0 0.004 0.389 (1;000) ✗ 27/01/17
Na3N ICSD 165989 P6/mmm (191) ✔ 4 32 1 0.0 0.002 0.065 (1;000) ✗ 27/01/17
AsN(OF3)2 ICSD 68906 C2/m (12) ✔ 10 64 2 0.0 0.004 0.358 (0;001) ✗ 05/01/17
Na3N COD 4308277 Pm-3m (221) ✔ 4 32 1 0.0 0.000 0.084 (1;000) ✗ 27/01/17
Zr3Cd2 ICSD 102092 Pmmm (47) ✔ 5 60 2 0.0 0.001 0.667 (1;001) ✗ 06/10/16
NbN ICSD 150967 P6_3/mmc (194) ✔ 4 36 3 0.0 0.004 0.318 (0;000) ✗ 27/01/17
NbN ICSD 644558 P6_3/mmc (194) ✔ 4 36 2 0.0 0.009 0.748 (1;000) ✗ 27/01/17
NbN COD 9008683 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.514 (0;000) ✗ 27/01/17
NbN ICSD 644555 P6_3/mmc (194) ✔ 8 72 3 0.0 0.006 0.504 (1;000) ✗ 27/01/17
Fe2As COD 1011298 P4/nmm (129) ✔ 6 42 3 0.0 0.000 0.749 (1;001) ✗ 05/01/17
LiFeAs COD 4501852 P4/nmm (129) ✔ 6 32 1 0.0 0.007 0.546 (1;001) ✗ 05/01/17
VP2 ICSD 42077 C2/m (12) ✔ 6 46 3 0.0 0.034 0.163 (0;111) ✔ 27/01/17
GaAs ICSD 43951 Pm2m (25) ✗ 2 18 3 0.0 0.019 0.600 (0;011) ✔ 06/10/16
Li8Pb3 ICSD 15694 R-3m (166) ✔ 11 66 1 0.0 0.155 0.632 (1;111) ✔ 06/10/16
MnAu ICSD 109348 Pm-3m (221) ✔ 2 26 3 0.0 0.000 0.798 (1;111) ✗ 05/01/17
AuCN ICSD 165173 P6mm (183) ✗ 3 20 3 0.0 0.997 0.042 (0;000) ✔ 06/10/16
TaNO ICSD 192272 C2/m (12) ✔ 12 96 3 0.0 0.035 0.457 (0;110) ✗ 27/01/17
MnFeAs COD 1526827 P4/nmm (129) ✔ 6 56 3 0.0 0.012 0.042 (1;000) ✗ 05/01/17
NaFeAs ICSD 163143 P4/nmm (129) ✔ 6 44 1 0.0 0.002 0.460 (1;001) ✗ 05/01/17
TaNO COD 1529710 P6/mmm (191) ✔ 9 72 3 0.0 0.001 0.720 (1;000) ✗ 27/01/17
V5P3N ICSD 29285 P6_3/mcm (193) ✔ 18 170 3 0.0 0.000 0.852 (0;000) ✗ 27/01/17
V3PN ICSD 644620 Cmcm (63) ✔ 10 98 3 0.0 0.000 0.905 (1;110) ✗ 27/01/17
Re2N ICSD 169887 P6_3/mmc (194) ✔ 6 70 3 0.0 0.000 0.966 (0;000) ✗ 27/01/17
ScN COD 9008712 Fm-3m (225) ✔ 2 16 3 0.0 0.822 0.055 (0;000) ✗ 27/01/17
SN ICSD 165332 P2_1/c (14) ✔ 8 44 1 0.0 0.007 0.559 (0;000) ✗ 27/01/17
SN COD 2300377 Pmmn (59) ✔ 4 22 3 0.0 0.000 0.914 (0;000) ✗ 27/01/17
SN COD 9015628 P4/nmm (129) ✔ 4 22 1 0.0 0.000 0.887 (0;000) ✗ 27/01/17
SrN ICSD 411555 C2/m (12) ✔ 8 60 1 0.0 0.005 0.309 (0;000) ✗ 27/01/17
TaN ICSD 76457 P6/mmm (191) ✔ 6 54 3 0.0 0.015 0.696 (0;001) ✗ 27/01/17
TaN COD 1523630 P6_3/mmc (194) ✔ 4 36 3 0.0 0.001 0.538 (0;000) ✗ 27/01/17
TaN ICSD 187023 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.498 (0;000) ✗ 27/01/17
TaN COD 9008975 P6/mmm (191) ✔ 6 54 3 0.0 0.016 0.293 (0;001) ✗ 27/01/17
Ti3TlN ICSD 42931 Pm-3m (221) ✔ 5 54 3 0.0 0.004 0.212 (0;111) ✗ 27/01/17
VN COD 9008765 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.520 (0;000) ✗ 27/01/17
NbFeAs ICSD 610502 Pnma (62) ✔ 12 104 3 0.0 0.016 0.128 (0;000) ✗ 05/01/17
Sr2Ru3O10 COD 1004145 C2/m (12) ✔ 15 128 2 0.0 0.021 0.453 (0;000) ✗ 27/01/17
OsO2 COD 9007542 P4_2/mnm (136) ✔ 6 56 3 0.0 0.008 0.316 (0;000) ✗ 27/01/17
PbO2 ICSD 189980 Pnma (62) ✔ 12 104 3 0.0 0.299 0.028 (0;000) ✗ 27/01/17
PbO2 COD 9005762 Fm-3m (225) ✔ 3 26 3 0.0 0.000 0.084 (1;000) ✗ 27/01/17
PbO2 COD 9009091 Pbcn (60) ✔ 12 104 3 0.0 0.003 0.014 (1;000) ✗ 27/01/17
PbO2 COD 9011216 P4_2/mnm (136) ✔ 6 52 3 0.0 0.025 0.003 (0;000) ✗ 27/01/17
PdPbO2 COD 2002191 Imma (74) ✔ 8 88 3 0.0 0.441 0.182 (0;000) ✗ 27/01/17
PdO2 ICSD 647283 P4_2/mnm (136) ✔ 6 60 3 0.0 0.006 0.207 (0;000) ✗ 27/01/17
FeAs COD 9007671 Pnma (62) ✔ 8 52 3 0.0 0.001 0.486 (0;011) ✗ 05/01/17
PtO2 ICSD 77654 Pn-3m (224) ✔ 6 44 3 0.0 0.000 0.528 (0;000) ✗ 27/01/17
PtO2 COD 1008935 Pnnm (58) ✔ 6 44 3 0.0 0.068 0.170 (0;000) ✗ 27/01/17
YCd3 ICSD 102086 Ccmm (63) ✔ 8 94 3 0.0 0.000 0.845 (1;110) ✗ 06/10/16
AuCN ICSD 85782 P6mm (183) ✗ 3 20 3 0.0 0.999 0.053 (0;000) ✔ 06/10/16
FeAsSe ICSD 610526 P2_1/c (14) ✔ 12 76 3 0.0 0.021 0.461 (1;010) ✗ 05/01/17
B2CN ICSD 183793 Pmm2 (25) ✗ 8 30 3 0.0 0.000 0.691 (1;000) ✔ 06/10/16
TaFeAs ICSD 610528 Pnma (62) ✔ 12 104 3 0.0 0.025 0.154 (0;000) ✗ 05/01/17
ReO2 ICSD 154021 P4_2/mnm (136) ✔ 6 54 3 0.0 0.000 0.836 (0;000) ✗ 27/01/17
ReO2 ICSD 647349 P2_1/c (14) ✔ 12 108 3 0.0 0.045 0.360 (1;010) ✗ 27/01/17
ReO2 COD 9009092 Pbcn (60) ✔ 12 108 3 0.0 0.000 0.364 (0;011) ✗ 27/01/17
RhO2 ICSD 647367 P4_2/mnm (136) ✔ 6 58 3 0.0 0.000 0.664 (0;000) ✗ 27/01/17
RuO2 COD 9007541 P4_2/mnm (136) ✔ 6 56 3 0.0 0.001 0.306 (0;000) ✗ 27/01/17
SbO2 COD 9005378 C2/c (15) ✔ 12 68 3 0.0 2.618 1.000 (0;000) ✗ 27/01/17
SrFeAsF ICSD 162808 P4/nmm (129) ✔ 8 60 1 0.0 0.010 0.451 (0;000) ✗ 05/01/17
Na2Cl ICSD 190546 Cmmm (65) ✔ 6 50 3 0.0 0.508 0.159 (0;000) ✗ 06/10/16
SrMnAsF ICSD 189940 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.876 (1;001) ✗ 05/01/17
GaAsPd5 ICSD 610564 P4/mmm (123) ✔ 7 108 3 0.0 0.017 0.423 (1;000) ✗ 05/01/17
NbGeAs ICSD 610611 P4/nmm (129) ✔ 6 44 2 0.0 0.022 0.299 (0;001) ✗ 05/01/17
Bi2CO5 ICSD 94740 Imm2 (44) ✗ 8 44 2 0.0 0.002 0.256 (0;111) ✔ 06/10/16
MnAsH2O5 ICSD 71164 C2/c (15) ✔ 18 104 3 0.0 0.014 0.135 (0;000) ✗ 05/01/17
HfAs ICSD 610635 P6_3/mmc (194) ✔ 8 68 3 0.0 0.008 0.315 (1;000) ✗ 05/01/17
CrCl2 ICSD 15467 Pmnn (58) ✔ 6 56 1 0.0 0.015 0.396 (0;000) ✗ 06/10/16
InAs ICSD 610696 Fm-3m (225) ✔ 2 18 3 0.0 0.018 0.367 (1;000) ✗ 05/01/17
InAsPd5 ICSD 193117 P4/mmm (123) ✔ 7 108 3 0.0 0.003 0.463 (1;000) ✗ 05/01/17
InAsPt5 ICSD 610708 P4/mmm (123) ✔ 7 68 3 0.0 0.006 0.474 (1;000) ✗ 05/01/17
ZrAu2 ICSD 612510 I4/mmm (139) ✔ 3 26 3 0.0 0.003 0.186 (1;000) ✗ 05/01/17
KMnAs ICSD 60743 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.833 (1;000) ✗ 05/01/17
TeO2 ICSD 647519 P4_2/mnm (136) ✔ 6 36 3 0.0 0.890 0.307 (0;000) ✗ 27/01/17
MgCl2 ICSD 51244 Pmmb (51) ✔ 6 48 2 0.0 0.007 0.196 (0;000) ✗ 06/10/16
LiMnAs ICSD 26459 P4/nmm (129) ✔ 6 46 2 0.0 0.000 0.824 (0;001) ✗ 05/01/17
LiAsSe2 COD 4102048 P-1 (2) ✔ 8 40 1 0.0 0.097 0.008 (0;000) ✗ 05/01/17
Mn2As COD 9008324 P4/nmm (129) ✔ 6 70 3 0.0 0.000 0.903 (1;001) ✗ 05/01/17
MnAs ICSD 9496 Pnma (62) ✔ 8 80 3 0.0 0.006 0.343 (1;000) ✗ 05/01/17
Na3Cl2 ICSD 190543 P4/m (83) ✔ 10 82 3 0.0 0.005 0.207 (0;110) ✗ 06/10/16
PoCl2 ICSD 26650 Pmmm (47) ✔ 3 30 3 0.0 0.728 0.398 (0;000) ✗ 06/10/16
VO2 ICSD 51214 I4/m (87) ✔ 12 100 3 0.0 0.002 0.925 (0;000) ✗ 27/01/17
VO2 COD 4336391 P4_2/mnm (136) ✔ 6 50 3 0.0 0.000 0.875 (0;000) ✗ 27/01/17
VO2 ICSD 73855 C2/m (12) ✔ 12 100 3 0.0 0.007 0.944 (1;111) ✗ 27/01/17
VO2 COD 9000071 Pnma (62) ✔ 12 100 3 0.0 0.000 0.650 (1;011) ✗ 27/01/17
VO2 COD 9009089 P2_1/c (14) ✔ 12 100 3 0.0 0.009 0.453 (0;000) ✗ 27/01/17
WO2 ICSD 647647 P4_2/mnm (136) ✔ 6 52 3 0.0 0.002 0.158 (0;000) ✗ 27/01/17
NaMnAs ICSD 26461 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.866 (1;000) ✗ 05/01/17
MnNiAs ICSD 610884 Pnma (62) ✔ 12 120 3 0.0 0.002 0.449 (0;000) ✗ 05/01/17
MnAs COD 2310698 Pnma (62) ✔ 8 80 3 0.0 0.017 0.497 (0;000) ✗ 05/01/17
MnAs COD 9008898 P6_3/mmc (194) ✔ 4 40 3 0.0 0.000 0.336 (1;000) ✗ 05/01/17
MnAsPd2 ICSD 107955 Fm-3m (225) ✔ 4 56 3 0.0 0.000 0.858 (1;000) ✗ 05/01/17
RbMnAs COD 1521904 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.838 (0;000) ✗ 05/01/17
MnVAs COD 1008988 P4/nmm (129) ✔ 6 66 3 0.0 0.000 0.580 (1;000) ✗ 05/01/17
Pb2O3 ICSD 36295 P4_2/nnm (134) ✔ 10 92 3 0.0 0.051 0.190 (1;111) ✗ 27/01/17
MoAs ICSD 610957 Pnma (62) ✔ 8 76 3 0.0 0.000 0.566 (0;011) ✗ 05/01/17
NbNiAs ICSD 610993 Pnma (62) ✔ 12 112 3 0.0 0.009 0.242 (0;000) ✗ 05/01/17
NbSiAs COD 1527598 P4/nmm (129) ✔ 6 44 3 0.0 0.004 0.162 (0;001) ✗ 05/01/17
NiAs COD 1011052 P6_3/mmc (194) ✔ 4 30 3 0.0 0.000 0.767 (1;000) ✗ 05/01/17
NiAsRh ICSD 601484 P4/nmm (129) ✔ 6 64 3 0.0 0.000 0.305 (1;001) ✗ 05/01/17
NiAsRh COD 9015763 P4/nmm (129) ✔ 6 64 3 0.0 0.007 0.328 (1;001) ✗ 05/01/17
TaNiAs ICSD 611079 Pnma (62) ✔ 12 112 3 0.0 0.017 0.194 (0;000) ✗ 05/01/17
TiNiAs ICSD 611086 Pnma (62) ✔ 12 108 3 0.0 0.000 0.392 (1;011) ✗ 05/01/17
ReO3 ICSD 77680 P4/mbm (127) ✔ 8 66 3 0.0 0.000 0.791 (0;110) ✗ 27/01/17
CrCl3 ICSD 22081 R-3 (148) ✔ 8 70 2 0.0 0.029 0.399 (0;000) ✗ 27/01/17
Rh2O3 COD 1010584 R-3c (167) ✔ 10 104 3 0.0 0.034 0.291 (0;000) ✗ 27/01/17
SrRuO3 ICSD 162777 Pm-3m (221) ✔ 5 44 3 0.0 0.000 0.837 (1;000) ✗ 27/01/17
SrRuO3 ICSD 86940 I4/mcm (140) ✔ 10 88 3 0.0 0.011 0.547 (0;000) ✗ 27/01/17
FeCl3 ICSD 151400 R-3 (148) ✔ 8 58 2 0.0 0.026 0.296 (0;000) ✗ 06/10/16
VNiAs ICSD 611097 Pnma (62) ✔ 12 112 3 0.0 0.001 0.198 (0;000) ✗ 05/01/17
V3AsN ICSD 610970 Cmcm (63) ✔ 10 98 3 0.0 0.000 0.863 (0;110) ✗ 05/01/17
SbAsO4 COD 9011214 P2_1/m (11) ✔ 12 68 2 0.0 3.878 1.000 (0;000) ✗ 05/01/17
As COD 9008573 Cmce (64) ✔ 4 20 2 0.0 0.219 0.019 (0;000) ✗ 05/01/17
As COD 9008574 R-3m (166) ✔ 2 10 2 0.0 0.074 0.060 (1;111) ✗ 05/01/17
TlAsPd5 ICSD 23540 P4/mmm (123) ✔ 7 108 3 0.0 0.018 0.457 (1;000) ✗ 05/01/17
SrZrO3 COD 1010901 Pm-3m (221) ✔ 5 32 3 0.0 0.007 0.627 (0;000) ✗ 27/01/17
GaCl3 ICSD 30336 P-1 (2) ✔ 8 68 1 0.0 0.013 0.056 (1;000) ✗ 06/10/16
SrAsPd ICSD 404723 P6_3/mmc (194) ✔ 6 66 2 0.0 0.000 0.896 (0;000) ✗ 05/01/17
Ti2O3 COD 1010582 R-3c (167) ✔ 10 84 3 0.0 0.017 0.140 (0;000) ✗ 27/01/17
Ti2O3 COD 9008082 R-3c (167) ✔ 10 84 3 0.0 0.006 0.366 (1;000) ✗ 27/01/17
V2O3 COD 1011066 R-3c (167) ✔ 10 88 3 0.0 0.000 0.536 (1;000) ✗ 27/01/17
V2O3 COD 9014893 R-3c (167) ✔ 10 88 3 0.0 0.006 0.299 (1;000) ✗ 27/01/17
TlAsPt5 ICSD 611241 P4/mmm (123) ✔ 7 68 3 0.0 0.003 0.499 (1;000) ✗ 05/01/17
SrAsPt ICSD 59187 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.783 (0;000) ✗ 05/01/17
AsRh2 ICSD 603878 Pnma (62) ✔ 12 156 3 0.0 0.001 0.452 (0;011) ✗ 05/01/17
Pd2PbO4 ICSD 263049 I4_1/a (88) ✔ 14 148 3 0.0 0.023 0.457 (1;111) ✗ 27/01/17
Y(PdO2)2 ICSD 78846 I4_1/a (88) ✔ 14 142 3 0.0 0.000 0.696 (1;111) ✗ 27/01/17
SrPd3O4 COD 1008074 Pm-3n (223) ✔ 16 176 3 0.0 0.029 0.123 (0;000) ✗ 27/01/17
AsRh ICSD 611269 Pnma (62) ✔ 8 88 3 0.0 0.008 0.375 (0;000) ✗ 05/01/17
TiAsRh COD 1008991 Pnma (62) ✔ 12 136 3 0.0 0.005 0.019 (1;000) ✗ 05/01/17
Zn2PdO4 ICSD 30076 Fd-3m (227) ✔ 14 132 3 0.0 0.000 0.344 (0;000) ✗ 27/01/17
SbPO4 ICSD 62977 P2_1/m (11) ✔ 12 68 2 0.0 4.450 1.000 (0;000) ✗ 27/01/17
VAsRh ICSD 601550 Pnma (62) ✔ 12 140 3 0.0 0.000 0.351 (1;011) ✗ 05/01/17
Pt3O4 ICSD 27836 Im-3m (229) ✔ 7 54 3 0.0 0.000 0.753 (1;111) ✗ 27/01/17
Pt3O4 COD 1008965 Pm-3n (223) ✔ 14 108 3 0.0 0.001 0.680 (1;000) ✗ 27/01/17
AsRu ICSD 611293 Pnma (62) ✔ 8 84 3 0.0 0.001 0.175 (0;011) ✗ 05/01/17
VPO4 ICSD 82284 Cmcm (63) ✔ 12 84 3 0.0 0.011 0.438 (0;000) ✗ 27/01/17
SrAs3 ICSD 41831 C2/m (12) ✔ 8 50 1 0.0 0.043 0.272 (1;001) ✔ 05/01/17
CaSb2 ICSD 862 P2_1/m (11) ✔ 6 40 1 0.0 0.070 0.251 (1;011) ✔ 27/01/17
Sr2RuO4 COD 1526905 I4/mmm (139) ✔ 7 60 2 0.0 0.080 0.926 (0;000) ✗ 27/01/17
P2W ICSD 37223 Ccm2_1 (36) ✗ 6 48 3 0.0 0.442 0.255 (1;000) ✔ 04/10/16
InAs ICSD 165462 F-43m (216) ✗ 2 18 3 0.0 0.000 0.009 (1;000) ✔ 06/10/16
MnN ICSD 184928 P6_3mc (186) ✗ 4 40 3 0.0 0.027 0.121 (0;000) ✔ 06/10/16
TiCl3 ICSD 38236 R-3 (148) ✔ 8 66 2 0.0 0.009 0.695 (0;000) ✗ 06/10/16
SbAs COD 9001315 R-3m (166) ✔ 2 10 3 0.0 0.157 0.276 (0;000) ✗ 05/01/17
ScAs COD 1527138 Fm-3m (225) ✔ 2 16 3 0.0 0.014 0.208 (0;000) ✗ 05/01/17
V2ZnO4 COD 9012331 Fd-3m (227) ✔ 14 124 3 0.0 0.000 0.451 (0;000) ✗ 27/01/17
TaSiAs COD 9008349 P4/nmm (129) ✔ 6 44 3 0.0 0.042 0.125 (0;001) ✗ 05/01/17
Sr2As ICSD 44066 I4/mmm (139) ✔ 6 50 1 0.0 0.019 0.112 (0;111) ✗ 05/01/17
TiTeAs COD 4313611 Immm (71) ✔ 6 46 3 0.0 0.076 0.094 (1;000) ✗ 05/01/17
Ti3As ICSD 611501 Pm-3n (223) ✔ 8 82 3 0.0 0.000 0.927 (1;000) ✗ 05/01/17
V2PO5 ICSD 79681 I4_1/amd (141) ✔ 16 122 3 0.0 0.000 0.725 (1;111) ✗ 27/01/17
TiAs ICSD 44074 P6_3/mmc (194) ✔ 4 34 3 0.0 0.000 0.681 (1;000) ✗ 05/01/17
TiAs COD 1528330 P6_3/mmc (194) ✔ 8 68 3 0.0 0.005 0.547 (1;000) ✗ 05/01/17
OsCl4 ICSD 1165 Cmmm (65) ✔ 5 44 1 0.0 0.322 0.353 (0;000) ✗ 06/10/16
ZrTiAs COD 4000091 I4/mmm (139) ✔ 6 42 3 0.0 0.002 0.514 (0;111) ✗ 05/01/17
V3As ICSD 44084 Pm-3n (223) ✔ 8 88 3 0.0 0.000 0.281 (1;000) ✗ 05/01/17
VSO5 COD 1528702 P4/n (85) ✔ 14 98 3 0.0 0.000 0.944 (0;000) ✗ 27/01/17
VAs ICSD 611554 Pnma (62) ✔ 8 72 3 0.0 0.003 0.186 (0;000) ✗ 05/01/17
YAs COD 9008767 Fm-3m (225) ✔ 2 16 3 0.0 0.131 0.186 (0;000) ✗ 05/01/17
ZrAs COD 9008970 P6_3/mmc (194) ✔ 8 36 3 0.0 0.020 0.423 (0;000) ✗ 05/01/17
Ti4O5 ICSD 77697 I4/m (87) ✔ 9 78 3 0.0 0.006 0.832 (1;111) ✗ 27/01/17
V2O5 ICSD 43132 Pmmn (59) ✔ 14 112 1 0.0 0.004 0.487 (0;000) ✗ 27/01/17
BaAu2 COD 1510358 P6/mmm (191) ✔ 3 32 2 0.0 0.089 0.386 (1;000) ✗ 05/01/17
BeAu2 ICSD 150581 I4/mmm (139) ✔ 3 26 3 0.0 0.002 0.577 (1;000) ✗ 05/01/17
V3O5 COD 1527091 C2/c (15) ✔ 16 138 3 0.0 0.000 0.744 (1;011) ✗ 27/01/17
BiAu2 COD 9013900 Fd-3m (227) ✔ 6 74 3 0.0 0.000 0.596 (0;000) ✗ 05/01/17
MoC ICSD 183166 F-43m (216) ✗ 2 18 3 0.0 0.000 0.417 (0;000) ✔ 06/10/16
MoCl5 ICSD 84620 P-1 (2) ✔ 12 98 1 0.0 0.021 0.413 (1;110) ✗ 06/10/16
Sr2YReO6 ICSD 25404 Fm-3m (225) ✔ 10 82 3 0.0 0.000 0.584 (0;000) ✗ 27/01/17
Ca(GeAu)2 COD 7209401 I4/mmm (139) ✔ 5 40 3 0.0 0.093 0.745 (0;000) ✗ 05/01/17
CaAu2 COD 1510368 Imma (74) ✔ 6 64 3 0.0 0.027 0.504 (1;000) ✗ 05/01/17
Ca(SiAu)2 COD 7209403 I4/mmm (139) ✔ 5 40 3 0.0 0.028 0.718 (1;000) ✗ 05/01/17
In(GaAu)2 ICSD 190987 P6_3/mmc (194) ✔ 10 122 3 0.0 0.000 0.878 (1;000) ✗ 05/01/17
MgGaAu2 COD 2019456 P6_3/mmc (194) ✔ 8 90 3 0.0 0.000 0.830 (0;000) ✗ 05/01/17
Sr2ZnWO6 ICSD 28599 Fm-3m (225) ✔ 10 82 3 0.0 0.128 0.064 (0;000) ✗ 27/01/17
Ta2VO6 COD 1001151 P4_2/mnm (136) ✔ 18 150 3 0.0 0.000 0.871 (0;000) ✗ 27/01/17
V2WO6 COD 1008912 P4_2/mnm (136) ✔ 18 152 3 0.0 0.001 0.542 (0;110) ✗ 27/01/17
Sr(GeAu)2 COD 7209408 I4/mmm (139) ✔ 5 40 3 0.0 0.080 0.713 (0;000) ✗ 05/01/17
ScInAu2 COD 1510427 Fm-3m (225) ✔ 4 46 3 0.0 0.081 0.410 (0;000) ✗ 05/01/17
YInAu2 COD 1510436 Fm-3m (225) ✔ 4 46 3 0.0 0.067 0.399 (0;000) ✗ 05/01/17
NaAu2 COD 1510444 Fd-3m (227) ✔ 6 62 3 0.0 0.000 0.620 (0;000) ✗ 05/01/17
P3Au2 COD 2105391 C2/m (12) ✔ 10 74 3 0.0 0.091 0.119 (1;001) ✗ 05/01/17
PbAu2 COD 1510457 Fd-3m (227) ✔ 6 72 3 0.0 0.061 0.085 (0;000) ✗ 05/01/17
Sr(SiAu)2 COD 7209413 I4/mmm (139) ✔ 5 40 3 0.0 0.028 0.714 (1;000) ✗ 05/01/17
SrAu2 COD 1510467 Imma (74) ✔ 6 64 3 0.0 0.023 0.467 (0;000) ✗ 05/01/17
MoC ICSD 618300 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.384 (0;100) ✔ 06/10/16
BaPd ICSD 616028 Cmcm (63) ✔ 4 56 2 0.0 0.065 0.082 (1;011) ✗ 05/01/17
CoSb2 ICSD 624899 Pnnm (58) ✔ 6 54 3 0.0 0.000 0.933 (0;000) ✗ 27/01/17
TiAu2 ICSD 612409 I4/mmm (139) ✔ 3 34 3 0.0 0.010 0.098 (1;000) ✗ 05/01/17
TiAu2 COD 1510471 I4/mmm (139) ✔ 3 34 3 0.0 0.117 0.256 (1;000) ✗ 05/01/17
O2 ICSD 190369 R-3m (166) ✔ 2 12 1 0.0 0.027 0.525 (0;000) ✗ 27/01/17
O2 ICSD 28530 P4/mmm (123) ✔ 1 6 1 0.0 0.025 0.322 (0;000) ✗ 27/01/17
O2 COD 1512527 C2/m (12) ✔ 2 12 1 0.0 0.027 0.813 (0;000) ✗ 27/01/17
O2 ICSD 236857 C2/m (12) ✔ 8 48 1 0.0 0.401 0.146 (0;000) ✗ 27/01/17
VAu2 COD 1510476 Cmcm (63) ✔ 6 70 3 0.0 0.000 0.838 (1;111) ✗ 05/01/17
Pb2O COD 1010382 Pn-3m (224) ✔ 6 68 3 0.0 0.000 0.208 (0;111) ✗ 27/01/17
CoTe2 ICSD 25678 Pmnn (58) ✔ 6 42 3 0.0 0.000 0.783 (0;000) ✗ 06/10/16
CuAu3 COD 1510492 Pm-3m (221) ✔ 4 44 3 0.0 0.000 0.547 (0;111) ✗ 05/01/17
InAu3 COD 1510500 Pmmn (59) ✔ 8 92 3 0.0 0.037 0.774 (1;000) ✗ 05/01/17
Pd2O ICSD 77651 Pn-3m (224) ✔ 6 84 3 0.0 0.000 0.351 (0;111) ✗ 27/01/17
PdO ICSD 41617 I4/mmm (139) ✔ 2 24 3 0.0 0.011 0.625 (0;000) ✗ 27/01/17
PdO COD 1009031 P4_2/mmc (131) ✔ 4 48 3 0.0 0.018 0.125 (0;000) ✗ 27/01/17
PdO ICSD 77650 Fm-3m (225) ✔ 2 24 1 0.0 0.000 0.599 (0;000) ✗ 27/01/17
PdO COD 1011329 P4/mmm (123) ✔ 2 24 2 0.0 0.009 0.422 (0;110) ✗ 27/01/17
PtO ICSD 164290 P4_2/mmc (131) ✔ 4 32 3 0.0 0.001 0.128 (0;000) ✗ 27/01/17
PtO COD 1522314 Fm-3m (225) ✔ 2 16 3 0.0 0.002 0.609 (0;000) ✗ 27/01/17
LiAu3 COD 1510505 Pm-3m (221) ✔ 4 36 3 0.0 0.000 0.554 (0;111) ✗ 05/01/17
Zr3Co ICSD 102741 Cmcm (63) ✔ 8 90 3 0.0 0.000 0.848 (1;110) ✗ 06/10/16
Sr(POs)2 ICSD 602096 I4/mmm (139) ✔ 5 52 2 0.0 0.004 0.626 (1;111) ✗ 27/01/17
ScOs2 ICSD 647766 P6_3/mmc (194) ✔ 12 172 3 0.0 0.004 0.938 (1;000) ✗ 27/01/17
ZrOs2 ICSD 647879 P6_3/mmc (194) ✔ 12 144 3 0.0 0.006 0.477 (1;000) ✗ 27/01/17
ZrSiO ICSD 25731 P4/nmm (129) ✔ 6 28 2 0.0 0.041 0.027 (0;001) ✗ 27/01/17
Ca(CdAu2)2 ICSD 424033 I4/mmm (139) ✔ 7 78 3 0.0 0.029 0.418 (1;111) ✗ 05/01/17
Sr3SnO COD 1530998 Pm-3m (221) ✔ 5 50 1 0.0 0.013 0.012 (0;000) ✗ 27/01/17
SO COD 7102430 Fm-3m (225) ✔ 2 12 1 0.0 0.038 0.656 (0;000) ✗ 27/01/17
Os COD 9008510 P6_3/mmc (194) ✔ 2 32 3 0.0 0.016 0.519 (0;000) ✗ 27/01/17
KAu5 COD 1510565 P6/mmm (191) ✔ 6 64 3 0.0 0.012 0.522 (0;001) ✗ 05/01/17
RbAu5 COD 1528238 P6/mmm (191) ✔ 6 64 3 0.0 0.024 0.498 (1;001) ✗ 05/01/17
Co2N ICSD 152812 Pmnn (58) ✔ 6 46 3 0.0 0.000 0.848 (1;000) ✗ 06/10/16
ZrPOs ICSD 647720 Pnma (62) ✔ 12 100 3 0.0 0.001 0.549 (1;011) ✗ 27/01/17
BaBiAu COD 1510590 P6_3/mmc (194) ✔ 6 72 2 0.0 0.026 0.361 (1;000) ✗ 05/01/17
BaPAu ICSD 420340 P6_3/mmc (194) ✔ 6 52 3 0.0 0.003 0.182 (1;000) ✗ 05/01/17
Rb4CO4 ICSD 245441 C2mm (38) ✗ 9 64 3 0.0 0.009 0.157 (1;000) ✔ 06/10/16
SiOs ICSD 43417 Pm-3m (221) ✔ 2 20 3 0.0 0.000 0.163 (1;111) ✗ 27/01/17
ZrSiOs ICSD 647807 Pnma (62) ✔ 12 96 3 0.0 0.055 0.317 (1;000) ✗ 27/01/17
TiOs COD 1523502 Pm-3m (221) ✔ 2 28 3 0.0 0.011 0.242 (0;111) ✗ 27/01/17
BaSbAu COD 1510593 P6_3/mmc (194) ✔ 6 52 2 0.0 0.001 0.453 (1;000) ✗ 05/01/17
ZrOs COD 1523503 Pm-3m (221) ✔ 2 20 3 0.0 0.110 0.248 (1;111) ✗ 27/01/17
Ti2O ICSD 24081 P-3m1 (164) ✔ 3 30 3 0.0 0.025 0.314 (0;000) ✗ 27/01/17
ZrTi2O COD 1525860 Cmmm (65) ✔ 8 68 3 0.0 0.003 0.640 (1;110) ✗ 27/01/17
Ti3O ICSD 23575 P-31m (162) ✔ 8 84 3 0.0 0.003 0.542 (0;001) ✗ 27/01/17
Ti6O ICSD 20042 P-31m (162) ✔ 7 78 3 0.0 0.003 0.638 (1;001) ✗ 27/01/17
TiO COD 9016272 C2/m (12) ✔ 10 90 3 0.0 0.007 0.640 (1;000) ✗ 27/01/17
Zr2O ICSD 77714 Pn-3m (224) ✔ 6 28 3 0.0 0.000 0.564 (0;111) ✗ 27/01/17
Zr3O ICSD 27023 R-3c (167) ✔ 8 36 3 0.0 0.010 0.240 (1;000) ✗ 27/01/17
ZrO COD 9008779 Fm-3m (225) ✔ 2 10 3 0.0 0.000 0.469 (0;000) ✗ 27/01/17
Sr(PPd)2 ICSD 36373 I4/mmm (139) ✔ 5 56 2 0.0 0.055 0.807 (1;000) ✗ 27/01/17
BaSbAu COD 2200818 P6_3/mmc (194) ✔ 6 52 2 0.0 0.013 0.051 (1;000) ✗ 05/01/17
Sr(PRh)2 ICSD 50186 I4/mmm (139) ✔ 5 54 2 0.0 0.018 0.576 (1;000) ✗ 27/01/17
NbN ICSD 185442 P6_3mc (186) ✗ 4 36 3 0.0 0.008 0.291 (1;100) ✔ 06/10/16
Sr(PRu)2 ICSD 648030 I4/mmm (139) ✔ 5 52 2 0.0 0.001 0.650 (1;000) ✗ 27/01/17
CrP ICSD 42079 Pmnb (62) ✔ 8 76 3 0.0 0.000 0.349 (1;011) ✗ 06/10/16
SiP2 ICSD 30693 Pa3 (205) ✔ 12 56 3 0.0 0.924 0.248 (0;000) ✗ 27/01/17
SrBiAu COD 1510602 P6_3/mmc (194) ✔ 6 72 3 0.0 0.002 0.237 (0;000) ✗ 05/01/17
TiP2 ICSD 24351 Pnma (62) ✔ 12 88 3 0.0 0.009 0.089 (1;000) ✗ 27/01/17
Zn3P2 COD 1010126 Pn-3m (224) ✔ 10 92 3 0.0 0.004 0.124 (0;000) ✗ 27/01/17
ZrP2 ICSD 24352 Pnma (62) ✔ 12 56 3 0.0 0.014 0.085 (1;000) ✗ 27/01/17
Ca2AuN COD 1510065 Cmcm (63) ✔ 8 72 1 0.0 0.084 0.022 (0;000) ✗ 05/01/17
SnP3 COD 1527463 R-3m (166) ✔ 8 58 1 0.0 0.023 0.657 (1;111) ✗ 27/01/17
V5P3 ICSD 648274 P6_3/mcm (193) ✔ 16 160 3 0.0 0.001 0.602 (0;000) ✗ 27/01/17
Pd3(PbSe)2 ICSD 648365 R-3m (166) ✔ 7 94 3 0.0 0.035 0.205 (0;111) ✗ 27/01/17
VP4 ICSD 38315 C2/c (15) ✔ 10 66 2 0.0 0.000 0.729 (1;011) ✗ 27/01/17
PdPb2 COD 1524520 I4/mcm (140) ✔ 6 92 3 0.0 0.009 0.603 (0;000) ✗ 27/01/17
PtPb2 ICSD 54316 I4/mcm (140) ✔ 6 76 3 0.0 0.050 0.588 (1;111) ✗ 27/01/17
RhPb2 COD 1524519 I4/mcm (140) ✔ 6 90 3 0.0 0.000 0.660 (1;111) ✗ 27/01/17
YPb2 COD 1523371 Cmcm (63) ✔ 6 78 3 0.0 0.000 0.685 (0;000) ✗ 27/01/17
SrPb3 COD 1523436 P4/mmm (123) ✔ 4 52 3 0.0 0.003 0.554 (1;110) ✗ 27/01/17
Pb ICSD 54314 Im-3m (229) ✔ 1 14 3 0.0 0.000 0.720 (1;111) ✗ 27/01/17
Pb COD 9012004 Fm-3m (225) ✔ 1 14 3 0.0 1.012 0.559 (0;000) ✗ 27/01/17
Pb ICSD 648350 P6_3/mmc (194) ✔ 2 28 3 0.0 0.003 0.725 (1;000) ✗ 27/01/17
Pd3Pb ICSD 648357 Pm-3m (221) ✔ 4 68 3 0.0 0.000 0.144 (1;000) ✗ 27/01/17
Pt3Pb COD 1523554 Pm-3m (221) ✔ 4 44 3 0.0 0.213 0.252 (0;111) ✗ 27/01/17
SiPt5Pb ICSD 648402 P4/mmm (123) ✔ 7 68 3 0.0 0.004 0.374 (0;000) ✗ 27/01/17
PtPb ICSD 105602 P6_3/mmc (194) ✔ 4 48 3 0.0 0.221 0.639 (1;000) ✗ 27/01/17
PtPb COD 1522617 P6_3/mmc (194) ✔ 4 48 3 0.0 0.032 0.702 (0;000) ✗ 27/01/17
TaPbS2 ICSD 648482 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.917 (1;000) ✗ 27/01/17
PbSe2 ICSD 174577 I4/mcm (140) ✔ 6 52 3 0.0 0.110 0.122 (0;000) ✗ 27/01/17
PbSe ICSD 77870 Pm-3m (221) ✔ 2 20 3 0.0 0.384 0.336 (1;111) ✗ 27/01/17
Ca3AuN COD 1510068 Pm-3m (221) ✔ 5 46 1 0.0 0.000 0.418 (1;000) ✗ 05/01/17
CaIn2Au COD 1510060 Cmcm (63) ✔ 8 94 3 0.0 0.000 0.805 (0;000) ✗ 05/01/17
PbS COD 9013400 Fm-3m (225) ✔ 2 20 3 0.0 0.122 0.020 (0;000) ✗ 27/01/17
SrPb COD 1522514 Cmcm (63) ✔ 4 48 1 0.0 0.038 0.256 (0;110) ✗ 27/01/17
SiPd ICSD 41681 I4/mcm (140) ✔ 8 88 3 0.0 0.021 0.300 (1;000) ✗ 27/01/17
SrZnPb ICSD 54319 P6_3/mmc (194) ✔ 6 72 2 0.0 0.007 0.166 (1;000) ✗ 27/01/17
TePb ICSD 77882 Pm-3m (221) ✔ 2 20 3 0.0 0.059 0.517 (1;111) ✗ 27/01/17
CrSb2 ICSD 246891 Pmnn (58) ✔ 6 48 3 0.0 0.000 0.365 (1;101) ✗ 06/10/16
V3Pb COD 1523836 Pm-3n (223) ✔ 8 106 3 0.0 0.000 0.887 (1;000) ✗ 27/01/17
Sr(SbPd)2 ICSD 61195 I4/mmm (139) ✔ 5 56 3 0.0 0.008 0.775 (0;000) ✗ 27/01/17
Sr(SiPd)2 ICSD 648864 I4/mmm (139) ✔ 5 54 3 0.0 0.020 0.692 (0;000) ✗ 27/01/17
SnPd2 ICSD 42595 Pnma (62) ✔ 12 200 3 0.0 0.027 0.491 (0;000) ✗ 27/01/17
SrPd2 COD 1523821 Fd-3m (227) ✔ 6 92 3 0.0 0.000 0.310 (0;000) ✗ 27/01/17
TiPd2 ICSD 184670 I4/mmm (139) ✔ 3 48 3 0.0 0.005 0.210 (1;111) ✗ 27/01/17
ZnPd2 ICSD 649139 Pnma (62) ✔ 12 192 3 0.0 0.009 0.364 (0;000) ✗ 27/01/17
ZrPd2 ICSD 649147 I4/mmm (139) ✔ 3 40 3 0.0 0.033 0.184 (1;111) ✗ 27/01/17
Tl2Pd3S2 ICSD 648763 R-3m (166) ✔ 7 92 3 0.0 0.071 0.442 (0;111) ✗ 27/01/17
Tl2Pd3Se2 ICSD 648843 R-3m (166) ✔ 7 92 3 0.0 0.004 0.569 (1;111) ✗ 27/01/17
Ta2PdSe6 ICSD 61005 C2/m (12) ✔ 9 80 3 0.0 0.026 0.245 (1;110) ✗ 27/01/17
SnPd3 COD 9004160 Pm-3m (221) ✔ 4 68 3 0.0 0.000 0.202 (1;000) ✗ 27/01/17
Te2Pd3 ICSD 87915 Cmcm (63) ✔ 10 132 3 0.0 0.011 0.630 (0;000) ✗ 27/01/17
TiPd3 COD 1522883 Pm-3m (221) ✔ 4 66 3 0.0 0.000 0.376 (1;111) ✗ 27/01/17
ZnPd5Se ICSD 648846 P4/mmm (123) ✔ 7 108 3 0.0 0.002 0.520 (1;000) ✗ 27/01/17
SiSnPd5 ICSD 649621 P4/mmm (123) ✔ 7 108 3 0.0 0.023 0.384 (0;001) ✗ 27/01/17
SrPd5 COD 1523822 P6/mmm (191) ✔ 6 100 3 0.0 0.003 0.597 (0;000) ✗ 27/01/17
Pd COD 1512531 Fm-3m (225) ✔ 1 18 3 0.0 0.000 0.584 (0;000) ✗ 27/01/17
CaPAu COD 1510061 P6_3/mmc (194) ✔ 6 52 2 0.0 0.002 0.059 (1;000) ✗ 05/01/17
CaSbAu COD 1510062 P6_3/mmc (194) ✔ 6 52 2 0.0 0.040 0.110 (1;000) ✗ 05/01/17
Ta2PdS6 ICSD 655261 C2/m (12) ✔ 9 80 3 0.0 0.060 0.157 (0;000) ✗ 27/01/17
SbPd COD 9008907 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.781 (1;000) ✗ 27/01/17
ScSiPd ICSD 648814 Pnma (62) ✔ 12 132 3 0.0 0.001 0.840 (0;011) ✗ 27/01/17
ScZnPd ICSD 424601 Cmcm (63) ✔ 6 82 3 0.0 0.000 0.674 (0;110) ✗ 27/01/17
SiPd COD 1527349 Pnma (62) ✔ 8 88 3 0.0 0.027 0.394 (0;000) ✗ 27/01/17
TiSiPd ICSD 648877 Pnma (62) ✔ 12 136 3 0.0 0.006 0.103 (1;000) ✗ 27/01/17
ZrSiPd ICSD 648895 Pnma (62) ✔ 12 104 3 0.0 0.025 0.118 (1;000) ✗ 27/01/17
Sn3Pd COD 9009821 Pm-3m (221) ✔ 4 60 3 0.0 0.005 0.622 (0;000) ✗ 27/01/17
SnPd COD 9008908 P6_3/mmc (194) ✔ 4 64 3 0.0 0.049 0.717 (1;000) ✗ 27/01/17
SnPd COD 9008938 Pnma (62) ✔ 8 128 3 0.0 0.010 0.379 (0;000) ✗ 27/01/17
TaPd ICSD 648973 P4/nmm (129) ✔ 4 62 3 0.0 0.000 0.696 (1;001) ✗ 27/01/17
Te2Pd COD 9009115 P-3m1 (164) ✔ 3 30 3 0.0 0.213 0.319 (1;000) ✗ 27/01/17
TePd COD 9008909 P6_3/mmc (194) ✔ 4 48 3 0.0 0.000 0.424 (0;000) ✗ 27/01/17
Ti2Pd COD 1522585 I4/mmm (139) ✔ 3 42 3 0.0 0.008 0.664 (1;000) ✗ 27/01/17
TiPd ICSD 184672 Pmma (51) ✔ 4 60 3 0.0 0.008 0.561 (0;100) ✗ 27/01/17
TiPd COD 1523469 Pm-3m (221) ✔ 2 30 3 0.0 0.000 0.851 (1;000) ✗ 27/01/17
Tl2Pd COD 1524515 I4/mcm (140) ✔ 6 88 3 0.0 0.003 0.430 (1;000) ✗ 27/01/17
V3Pd COD 1523039 Pm-3n (223) ✔ 8 114 3 0.0 0.000 0.629 (0;000) ✗ 27/01/17
ZnPd ICSD 649134 P4/mmm (123) ✔ 2 30 3 0.0 0.014 0.573 (1;000) ✗ 27/01/17
Zr2Pd COD 1522408 I4/mmm (139) ✔ 3 26 3 0.0 0.019 0.616 (1;000) ✗ 27/01/17
ZrPd ICSD 55547 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.843 (1;000) ✗ 27/01/17
P ICSD 162244 Cmcm (63) ✔ 4 20 1 0.0 0.006 0.785 (0;110) ✗ 27/01/17
P COD 9012486 Cmce (64) ✔ 4 20 1 0.0 0.007 0.018 (1;110) ✗ 27/01/17
P ICSD 647901 R-3m (166) ✔ 2 10 1 0.0 0.027 0.163 (0;000) ✗ 27/01/17
TlPPd5 ICSD 647937 P4/mmm (123) ✔ 7 108 3 0.0 0.011 0.466 (1;000) ✗ 27/01/17
PPdS3 ICSD 647926 C2/m (12) ✔ 10 82 2 0.0 0.012 0.185 (0;000) ✗ 27/01/17
TlPPt5 ICSD 647975 P4/mmm (123) ✔ 7 68 3 0.0 0.002 0.520 (0;000) ✗ 27/01/17
Re2P COD 9009204 Pnma (62) ✔ 12 140 3 0.0 0.001 0.574 (0;011) ✗ 27/01/17
TaPRh ICSD 648003 Pnma (62) ✔ 12 140 3 0.0 0.001 0.346 (1;011) ✗ 27/01/17
ZrPRh ICSD 648009 Pnma (62) ✔ 12 104 3 0.0 0.044 0.038 (1;000) ✗ 27/01/17
PRu2 COD 9009203 Pnma (62) ✔ 12 148 3 0.0 0.002 0.449 (0;011) ✗ 27/01/17
CdAu COD 1510072 Pmma (51) ✔ 4 46 3 0.0 0.000 0.870 (1;000) ✗ 05/01/17
CrTe ICSD 93161 Pmnb (62) ✔ 8 80 3 0.0 0.004 0.470 (1;000) ✗ 06/10/16
TaPRu ICSD 648031 Pnma (62) ✔ 12 136 3 0.0 0.056 0.156 (1;000) ✗ 27/01/17
ZrPRu ICSD 648038 Pnma (62) ✔ 12 100 3 0.0 0.000 0.602 (1;011) ✗ 27/01/17
SnPS3 ICSD 648055 R-3 (148) ✔ 10 74 2 0.0 0.207 0.338 (0;000) ✗ 27/01/17
Cu3Au COD 9013496 Pm-3m (221) ✔ 4 44 3 0.0 0.018 0.575 (0;111) ✗ 05/01/17
CuSnAu ICSD 611768 I4/mmm (139) ✔ 6 72 3 0.0 0.004 0.829 (0;000) ✗ 05/01/17
Zr2SbP ICSD 77797 P6_3/mmc (194) ✔ 8 36 3 0.0 0.016 0.417 (0;000) ✗ 27/01/17
ScP COD 2310238 Fm-3m (225) ✔ 2 16 3 0.0 0.267 0.203 (0;000) ✗ 27/01/17
SrSnP ICSD 63594 P4/nmm (129) ✔ 6 58 2 0.0 0.000 0.832 (0;000) ✗ 27/01/17
TaPS ICSD 648183 Immm (71) ✔ 6 48 3 0.0 0.050 0.506 (0;000) ✗ 27/01/17
ScSiPt2 ICSD 420355 Cmcm (63) ✔ 8 70 3 0.0 0.000 0.931 (0;110) ✗ 27/01/17
Y(SiPt)2 ICSD 649646 P4/nmm (129) ✔ 10 78 3 0.0 0.000 0.966 (0;000) ✗ 27/01/17
Si3Pt2 ICSD 77974 P6_3/mmc (194) ✔ 10 64 3 0.0 0.012 0.767 (1;000) ✗ 27/01/17
SiPt2 ICSD 77973 I4/mmm (139) ✔ 3 24 3 0.0 0.138 0.700 (0;000) ✗ 27/01/17
YSnPt2 ICSD 649701 P6_3/mmc (194) ✔ 8 90 3 0.0 0.000 0.906 (0;000) ✗ 27/01/17
SrPt2 ICSD 108148 Fd-3m (227) ✔ 6 60 3 0.0 0.004 0.478 (0;000) ✗ 27/01/17
TaPt2 COD 1523693 Cmcm (63) ✔ 6 66 3 0.0 0.000 0.632 (1;110) ✗ 27/01/17
Pt2W ICSD 649841 Immm (71) ✔ 3 34 3 0.0 0.016 0.705 (1;111) ✗ 27/01/17
YPt2 COD 1523663 Fd-3m (227) ✔ 6 62 3 0.0 0.000 0.339 (0;000) ✗ 27/01/17
Sb2Pt3 ICSD 42752 Ibam (72) ✔ 10 80 3 0.0 0.011 0.382 (0;111) ✗ 27/01/17
SbPt3 ICSD 649557 I4/mmm (139) ✔ 8 70 3 0.0 0.007 0.303 (0;111) ✗ 27/01/17
SnPt3 COD 1523555 Pm-3m (221) ✔ 4 44 3 0.0 0.285 0.238 (0;111) ✗ 27/01/17
TaPt3 COD 1523694 Pmmn (59) ✔ 8 86 3 0.0 0.000 0.818 (0;000) ✗ 27/01/17
TiPt3 ICSD 649771 Pm-3m (221) ✔ 4 42 3 0.0 0.000 0.343 (0;111) ✗ 27/01/17
ZnPt3 COD 1522607 Pm-3m (221) ✔ 4 42 3 0.0 0.076 0.406 (0;000) ✗ 27/01/17
ZrPt3 COD 1522858 Pm-3m (221) ✔ 4 34 3 0.0 0.000 0.215 (0;111) ✗ 27/01/17
SrPt5 COD 1523823 P6/mmm (191) ✔ 6 60 3 0.0 0.013 0.495 (1;000) ✗ 27/01/17
TiPt8 COD 1522696 I4/mmm (139) ✔ 9 92 3 0.0 0.005 0.901 (0;000) ✗ 27/01/17
TaP COD 9008974 I4_1/amd (141) ✔ 4 36 3 0.0 0.009 0.478 (1;111) ✗ 27/01/17
TiP COD 9008969 P6_3/mmc (194) ✔ 8 68 3 0.0 0.003 0.549 (1;000) ✗ 27/01/17
Pt COD 1101019 Fm-3m (225) ✔ 1 10 3 0.0 0.000 0.575 (0;000) ✗ 27/01/17
Cr2S3 ICSD 16721 R-3 (148) ✔ 10 92 3 0.0 0.013 0.353 (1;111) ✗ 06/10/16
Zn2CuAu COD 1510118 Fm-3m (225) ✔ 4 46 3 0.0 0.004 0.861 (0;000) ✗ 05/01/17
SrP3 ICSD 96543 C2/m (12) ✔ 8 50 1 0.0 0.036 0.065 (1;001) ✔ 27/01/17
MnAs ICSD 184925 F-43m (216) ✗ 2 20 3 0.0 0.038 0.075 (0;000) ✔ 06/10/16
SbPt COD 9008912 P6_3/mmc (194) ✔ 4 30 3 0.0 0.000 0.811 (1;000) ✗ 27/01/17
ScSiPt ICSD 79597 Pnma (62) ✔ 12 100 3 0.0 0.003 0.756 (0;011) ✗ 27/01/17
ScZnPt ICSD 424600 Cmcm (63) ✔ 6 66 3 0.0 0.000 0.614 (0;110) ✗ 27/01/17
PtSe2 COD 9009117 P-3m1 (164) ✔ 3 22 2 0.0 0.886 0.144 (0;000) ✗ 27/01/17
SiPt COD 9008940 Pnma (62) ✔ 8 56 3 0.0 0.114 0.301 (0;000) ✗ 27/01/17
TiSiPt ICSD 260794 Pnma (62) ✔ 12 104 3 0.0 0.042 0.071 (1;000) ✗ 27/01/17
ZrSiPt COD 8103045 Pnma (62) ✔ 12 72 3 0.0 0.030 0.081 (1;000) ✗ 27/01/17
Sn2Pt COD 9012883 Fm-3m (225) ✔ 3 38 3 0.0 0.000 0.396 (1;000) ✗ 27/01/17
SnPt COD 9008913 P6_3/mmc (194) ✔ 4 48 3 0.0 0.087 0.716 (1;000) ✗ 27/01/17
NbN ICSD 191062 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.200 (0;100) ✔ 06/10/16
Te2Pt COD 9009116 P-3m1 (164) ✔ 3 22 3 0.0 0.106 0.251 (1;000) ✗ 27/01/17
TePt ICSD 41370 R-3m (166) ✔ 4 32 2 0.0 0.073 0.748 (1;111) ✗ 27/01/17
TePt COD 1523756 P6_3/mmc (194) ✔ 4 32 3 0.0 0.034 0.412 (0;000) ✗ 27/01/17
Ti3Pt COD 1523943 Pm-3n (223) ✔ 8 92 3 0.0 0.004 0.692 (1;000) ✗ 27/01/17
TiPt COD 1523470 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.717 (0;111) ✗ 27/01/17
Tl2Pt COD 1524516 I4/mcm (140) ✔ 6 72 3 0.0 0.093 0.738 (1;000) ✗ 27/01/17
V3Pt COD 1523723 Pm-3n (223) ✔ 8 98 3 0.0 0.000 0.512 (0;000) ✗ 27/01/17
VPt ICSD 649832 Pmma (51) ✔ 4 46 3 0.0 0.000 0.821 (0;101) ✗ 27/01/17
ZnPt COD 1522602 P4/mmm (123) ✔ 2 22 3 0.0 0.008 0.481 (0;000) ✗ 27/01/17
YPt ICSD 649850 Pnma (62) ✔ 8 84 3 0.0 0.000 0.582 (1;011) ✗ 27/01/17
ZrPt COD 1523369 Pm-3m (221) ✔ 2 14 3 0.0 0.000 0.829 (0;111) ✗ 27/01/17
V2P ICSD 648278 Pnma (62) ✔ 12 124 3 0.0 0.000 0.593 (0;011) ✗ 27/01/17
VP COD 9008921 P6_3/mmc (194) ✔ 4 36 3 0.0 0.000 0.214 (0;000) ✗ 27/01/17
ZrVP ICSD 39562 Pnma (62) ✔ 12 88 3 0.0 0.006 0.332 (0;000) ✗ 27/01/17
ZrP ICSD 77860 P6_3/mmc (194) ✔ 8 36 3 0.0 0.011 0.588 (0;000) ✗ 27/01/17
Cr2Se3 ICSD 106520 R-3 (148) ✔ 10 92 3 0.0 0.011 0.356 (1;000) ✗ 06/10/16
YP ICSD 77857 Fm-3m (225) ✔ 2 16 3 0.0 0.189 0.173 (0;000) ✗ 27/01/17
Ga2Au ICSD 188888 Pnma (62) ✔ 12 148 3 0.0 0.007 0.830 (1;011) ✗ 05/01/17
Ga2Au ICSD 188889 P2_1/c (14) ✔ 12 148 3 0.0 0.018 0.716 (1;000) ✗ 05/01/17
GaAuO2 COD 1510152 P6_3/mmc (194) ✔ 8 72 3 0.0 1.214 0.114 (0;000) ✗ 05/01/17
CuO2 ICSD 150913 Ccmm (63) ✔ 6 46 1 0.0 0.000 0.927 (0;110) ✗ 06/10/16
BC2N ICSD 191803 C2/m (12) ✔ 8 32 3 0.0 0.005 0.202 (0;111) ✗ 06/10/16
GaAu COD 9008926 Pnma (62) ✔ 8 96 3 0.0 0.094 0.370 (1;000) ✗ 05/01/17
Re COD 9008512 P6_3/mmc (194) ✔ 2 30 3 0.0 0.000 0.522 (1;000) ✗ 27/01/17
SiRh2 ICSD 43337 Pnma (62) ✔ 12 152 3 0.0 0.011 0.292 (0;000) ✗ 27/01/17
SnRh2 COD 1522864 Pnma (62) ✔ 12 192 3 0.0 0.015 0.364 (0;000) ✗ 27/01/17
SrRh2 COD 1523824 Fd-3m (227) ✔ 6 88 3 0.0 0.001 0.615 (0;000) ✗ 27/01/17
TaRh2 ICSD 650415 Pnma (62) ✔ 12 188 3 0.0 0.001 0.462 (0;011) ✗ 27/01/17
YRh2 COD 1523667 Fd-3m (227) ✔ 6 90 3 0.0 0.000 0.574 (0;000) ✗ 27/01/17
ScRh3 COD 1523573 Pm-3m (221) ✔ 4 62 3 0.0 0.000 0.633 (0;111) ✗ 27/01/17
YSi2Rh3 ICSD 52080 P6/mmm (191) ✔ 6 70 3 0.0 0.011 0.841 (1;000) ✗ 27/01/17
YSi2Rh3 ICSD 650345 Imma (74) ✔ 12 140 3 0.0 0.012 0.301 (1;000) ✗ 27/01/17
TaRh3 ICSD 650420 Pm-3m (221) ✔ 4 64 3 0.0 0.009 0.601 (0;111) ✗ 27/01/17
Te2Rh3 COD 2310516 Cmcm (63) ✔ 10 126 3 0.0 0.000 0.790 (0;110) ✗ 27/01/17
VRh3 COD 1523066 Pm-3m (221) ✔ 4 64 3 0.0 0.000 0.621 (1;000) ✗ 27/01/17
Rh3W COD 1523678 P6_3/mmc (194) ✔ 8 130 3 0.0 0.000 1.000 (0;000) ✗ 27/01/17
YRh5 COD 1523668 P6/mmm (191) ✔ 6 96 3 0.0 0.005 0.709 (0;000) ✗ 27/01/17
SbRh COD 9009911 Pnma (62) ✔ 8 88 3 0.0 0.054 0.328 (0;000) ✗ 27/01/17
ScRh ICSD 105919 Pm-3m (221) ✔ 2 28 3 0.0 0.020 0.310 (0;000) ✗ 02/02/17
ScSiRh ICSD 79596 Pnma (62) ✔ 12 128 3 0.0 0.028 0.421 (0;000) ✗ 27/01/17
RhSe ICSD 52069 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.711 (0;000) ✗ 27/01/17
Y2Si2Rh ICSD 48176 C2/m (12) ✔ 10 94 3 0.0 0.002 0.553 (0;110) ✗ 27/01/17
SiRh ICSD 650306 Pnma (62) ✔ 8 84 3 0.0 0.001 0.174 (0;011) ✗ 27/01/17
TaSiRh COD 1522285 Pnma (62) ✔ 12 136 3 0.0 0.051 0.141 (1;000) ✗ 27/01/17
TiSiRh ICSD 108723 Pnma (62) ✔ 12 132 3 0.0 0.000 0.608 (1;011) ✗ 27/01/17
ZrSiRh ICSD 650356 Pnma (62) ✔ 12 100 3 0.0 0.000 0.596 (1;011) ✗ 27/01/17
Sn2Rh COD 1523795 I4/mcm (140) ✔ 6 90 3 0.0 0.000 0.681 (1;111) ✗ 27/01/17
SnRh COD 9008915 P6_3/mmc (194) ✔ 4 62 3 0.0 0.000 0.817 (0;000) ✗ 27/01/17
TeRh COD 9008916 P6_3/mmc (194) ✔ 4 46 3 0.0 0.000 0.849 (0;000) ✗ 27/01/17
V3Rh ICSD 650519 Pm-3n (223) ✔ 8 112 3 0.0 0.000 0.533 (1;000) ✗ 27/01/17
VRh COD 1523175 P4/mmm (123) ✔ 2 30 3 0.0 0.011 0.598 (1;001) ✗ 27/01/17
YRh ICSD 650541 Pm-3m (221) ✔ 2 28 3 0.0 0.056 0.331 (0;000) ✗ 27/01/17
Zr2Rh COD 1524522 I4/mcm (140) ✔ 6 50 3 0.0 0.000 0.779 (0;111) ✗ 27/01/17
ZrRh ICSD 657955 P2_1/m (11) ✔ 4 42 3 0.0 0.000 0.863 (1;001) ✗ 27/01/17
ZrRh COD 1523940 Pnma (62) ✔ 8 84 3 0.0 0.000 0.489 (1;011) ✗ 27/01/17
SiRu2 ICSD 650630 Pnma (62) ✔ 12 144 3 0.0 0.012 0.647 (0;000) ✗ 27/01/17
ZrRu2 ICSD 650784 P6_3/mmc (194) ✔ 12 144 3 0.0 0.004 0.508 (0;000) ✗ 02/02/17
Ru COD 1512537 P6_3/mmc (194) ✔ 2 32 3 0.0 0.008 0.578 (0;000) ✗ 27/01/17
Ti3H3Au ICSD 611953 Pm-3n (223) ✔ 14 100 3 0.0 0.000 0.703 (0;111) ✗ 05/01/17
Sb2Ru COD 9012559 Pnnm (58) ✔ 6 52 3 0.0 0.545 0.010 (0;000) ✗ 27/01/17
SbRu COD 9012556 Pnma (62) ✔ 8 84 3 0.0 0.001 0.549 (0;011) ✗ 27/01/17
Sc2Si2Ru ICSD 420133 C2/m (12) ✔ 10 92 3 0.0 0.002 0.445 (0;001) ✗ 27/01/17
SiRu ICSD 650627 Pm-3m (221) ✔ 2 20 3 0.0 0.001 0.162 (0;000) ✗ 27/01/17
TiSiRu ICSD 57484 Pnma (62) ✔ 12 128 3 0.0 0.015 0.323 (1;000) ✗ 27/01/17
Sn2Ru COD 1522876 I4/mcm (140) ✔ 6 88 3 0.0 0.011 0.476 (0;000) ✗ 27/01/17
HfAu ICSD 611959 P4/nmm (129) ✔ 4 46 3 0.0 0.000 0.804 (1;001) ✗ 05/01/17
TiRu COD 1527977 Pm-3m (221) ✔ 2 28 3 0.0 0.006 0.272 (1;111) ✗ 27/01/17
ZrRu COD 1527321 Pm-3m (221) ✔ 2 20 3 0.0 0.050 0.320 (1;111) ✗ 27/01/17
NaIn2Au ICSD 107505 Cmcm (63) ✔ 8 92 3 0.0 0.050 0.706 (1;000) ✗ 05/01/17
OsN ICSD 167513 Pmn2_1 (31) ✗ 4 42 3 0.0 0.000 0.868 (0;001) ✔ 06/10/16
CuS2 ICSD 628782 Pnnm (58) ✔ 6 46 3 0.0 0.000 0.970 (0;110) ✗ 27/01/17
TaSnS2 COD 1524322 P6_3/mmc (194) ✔ 8 78 3 0.0 0.000 0.947 (1;000) ✗ 27/01/17
TaS2 ICSD 24757 R-3m (166) ✔ 6 50 1 0.0 0.002 0.929 (1;000) ✗ 27/01/17
TaS2 COD 9007815 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.863 (1;000) ✗ 27/01/17
TiS2 COD 1010275 P-3m1 (164) ✔ 3 24 2 0.0 0.374 0.116 (0;000) ✗ 27/01/17
InAuO2 COD 1510192 P6_3/mmc (194) ✔ 8 72 3 0.0 0.536 0.147 (0;000) ✗ 05/01/17
CuSe2 ICSD 242 Pmnn (58) ✔ 6 46 3 0.0 0.000 0.939 (0;000) ✗ 06/10/16
TiS3 ICSD 604398 P2_1/m (11) ✔ 8 60 1 0.0 0.010 0.432 (0;000) ✗ 27/01/17
TiS3 ICSD 651177 P2_1/m (11) ✔ 8 60 2 0.0 0.115 0.110 (0;000) ✗ 27/01/17
KTeAu COD 1510208 P6_3/mmc (194) ✔ 6 52 2 0.0 0.002 0.029 (1;000) ✗ 05/01/17
SiS4 COD 9016170 Cmmm (65) ✔ 5 28 3 0.0 0.023 0.465 (1;001) ✗ 27/01/17
YCoC2 ICSD 57007 C2mm (38) ✗ 4 28 3 0.0 0.036 0.259 (1;100) ✔ 06/10/16
Li3Au COD 1510223 Fm-3m (225) ✔ 4 20 3 0.0 0.253 0.656 (0;000) ✗ 05/01/17
Sr(ZnSb)2 COD 7221361 P-3m1 (164) ✔ 5 44 2 0.0 0.001 0.132 (0;000) ✗ 27/01/17
LiSnAu COD 7209391 P6_3/mmc (194) ✔ 6 56 3 0.0 0.021 0.553 (0;000) ✗ 05/01/17
TiSb2 COD 4339242 I4/mcm (140) ✔ 6 44 3 0.0 0.001 0.287 (1;000) ✗ 27/01/17
V3Sb2 ICSD 41814 R-3m (166) ✔ 10 98 3 0.0 0.014 0.367 (0;000) ✗ 27/01/17
VSb2 COD 8100157 I4/mcm (140) ✔ 6 46 3 0.0 0.000 0.536 (1;000) ✗ 27/01/17
Sb ICSD 42678 P2_1/m (11) ✔ 4 20 2 0.0 0.099 0.336 (0;000) ✗ 27/01/17
Sb COD 9008575 R-3m (166) ✔ 2 10 3 0.0 0.081 0.025 (1;111) ✗ 27/01/17
Sb COD 9013011 P6_3/mmc (194) ✔ 2 10 3 0.0 0.000 0.871 (0;000) ✗ 27/01/17
Sb COD 9013464 P6_3/mmc (194) ✔ 2 10 1 0.0 0.000 0.874 (1;000) ✗ 27/01/17
Sc2Sb COD 8100587 P4/nmm (129) ✔ 6 54 3 0.0 0.000 0.836 (1;000) ✗ 27/01/17
ScSb COD 1527139 Fm-3m (225) ✔ 2 16 3 0.0 0.001 0.233 (0;000) ✗ 27/01/17
TlSbSe2 COD 1530590 Cmmm (65) ✔ 4 30 3 0.0 0.075 0.660 (0;111) ✗ 27/01/17
Ta3Sb ICSD 651601 Pm-3n (223) ✔ 8 88 3 0.0 0.052 0.269 (1;000) ✗ 27/01/17
TlSbTe2 ICSD 651642 R-3m (166) ✔ 4 30 3 0.0 0.106 0.018 (1;000) ✗ 27/01/17
Ti3Sb ICSD 96137 Pm-3n (223) ✔ 8 82 3 0.0 0.000 0.908 (1;000) ✗ 27/01/17
TiSb ICSD 96138 P6_3/mmc (194) ✔ 4 34 3 0.0 0.000 0.552 (1;000) ✗ 27/01/17
TlSb COD 1010882 Pm-3m (221) ✔ 2 18 3 0.0 0.000 0.611 (0;000) ✗ 27/01/17
V3Sb COD 1527515 Pm-3n (223) ✔ 8 88 3 0.0 0.001 0.269 (1;000) ✗ 27/01/17
VSb ICSD 23910 P6_3/mmc (194) ✔ 4 36 3 0.0 0.001 0.446 (1;000) ✗ 27/01/17
YZrSb ICSD 107067 I4/mmm (139) ✔ 6 40 3 0.0 0.006 0.722 (0;111) ✗ 27/01/17
YSb ICSD 651741 Fm-3m (225) ✔ 2 16 3 0.0 0.071 0.218 (0;000) ✗ 27/01/17
Zr2Sb ICSD 107691 I4/mmm (139) ✔ 6 26 3 0.0 0.016 0.568 (0;111) ✗ 27/01/17
Sc ICSD 164205 I4/mcm (140) ✔ 4 44 3 0.0 0.005 0.575 (1;111) ✗ 27/01/17
Sc COD 9008514 P6_3/mmc (194) ✔ 2 22 3 0.0 0.000 0.900 (0;000) ✗ 27/01/17
Sc COD 9011655 P4/nmm (129) ✔ 4 44 3 0.0 0.003 0.368 (1;000) ✗ 27/01/17
Re3N ICSD 188352 P-6m2 (187) ✗ 4 50 3 0.0 0.000 0.675 (0;100) ✔ 06/10/16
ScSi ICSD 651815 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.709 (0;000) ✗ 27/01/17
ScTlTe2 ICSD 418476 R-3m (166) ✔ 4 36 3 0.0 0.243 0.108 (0;000) ✗ 27/01/17
ScTe COD 2018282 P6_3/mmc (194) ✔ 8 68 3 0.0 0.006 0.357 (0;000) ✗ 27/01/17
CuTe ICSD 42592 Pmmn (59) ✔ 4 34 1 0.0 0.000 0.952 (1;010) ✗ 02/02/17
YCoC2 ICSD 617465 C2mm (38) ✗ 4 28 3 0.0 0.036 0.259 (1;100) ✔ 06/10/16
Sb ICSD 109037 I4/mcm (140) ✔ 4 20 3 0.0 0.009 0.729 (1;111) ✗ 27/01/17
TaSe2 ICSD 651956 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.809 (0;000) ✗ 27/01/17
TaSe2 COD 2310532 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.841 (0;001) ✗ 27/01/17
TiSe2 COD 1010276 P-3m1 (164) ✔ 3 24 2 0.0 0.000 0.273 (1;000) ✗ 27/01/17
Mg3Au ICSD 612138 P6_3/mmc (194) ✔ 8 82 3 0.0 0.000 0.849 (0;000) ✗ 05/01/17
ZrSe2 COD 5910026 P-3m1 (164) ✔ 3 16 2 0.0 0.498 0.154 (0;000) ✗ 27/01/17
Ta2Se3 ICSD 42982 P2_1/m (11) ✔ 10 88 3 0.0 0.066 0.151 (1;010) ✗ 27/01/17
ZrSe3 ICSD 652241 P2_1/m (11) ✔ 8 44 2 0.0 0.504 0.094 (0;000) ✗ 27/01/17
ZrSe3 ICSD 652252 P2_1/m (11) ✔ 8 44 2 0.0 0.033 0.529 (0;000) ✗ 27/01/17
Ti3Se4 ICSD 652044 C2/m (12) ✔ 7 60 3 0.0 0.014 0.422 (0;111) ✗ 27/01/17
ZrTiSe4 COD 1523424 P2/m (10) ✔ 6 40 2 0.0 0.022 0.151 (0;010) ✗ 27/01/17
Se ICSD 150731 Fd-3m (227) ✔ 2 12 3 0.0 0.198 0.423 (0;000) ✗ 27/01/17
Mg3Au COD 1510237 P6_3/mmc (194) ✔ 8 82 2 0.0 0.000 0.835 (0;000) ✗ 05/01/17
ZrSiSe COD 9008350 P4/nmm (129) ✔ 6 28 3 0.0 0.018 0.063 (0;001) ✗ 27/01/17
YCoC2 ICSD 617468 C2mm (38) ✗ 4 28 3 0.0 0.032 0.257 (0;000) ✔ 06/10/16
SnSe COD 9008725 Fm-3m (225) ✔ 2 20 3 0.0 0.223 0.011 (0;000) ✗ 27/01/17
Na2Au COD 1510247 I4/mcm (140) ✔ 6 58 1 0.0 0.003 0.723 (1;000) ✗ 05/01/17
Ta2Se ICSD 65739 P4/nmm (129) ✔ 6 64 2 0.0 0.026 0.233 (0;000) ✗ 27/01/17
TiSe COD 9008919 P6_3/mmc (194) ✔ 4 36 3 0.0 0.000 0.450 (0;000) ✗ 27/01/17
VSe COD 9008923 P6_3/mmc (194) ✔ 4 38 3 0.0 0.000 0.838 (0;000) ✗ 27/01/17
SrSi2 COD 1527358 I4_1/amd (141) ✔ 6 36 3 0.0 0.014 0.249 (1;111) ✗ 27/01/17
TiSi2 COD 1009012 Fmmm (69) ✔ 3 20 3 0.0 0.005 0.728 (1;000) ✗ 27/01/17
TiSi2 COD 1010453 Fddd (70) ✔ 6 40 3 0.0 0.012 0.449 (1;111) ✗ 27/01/17
Si2W COD 1010283 I4/mmm (139) ✔ 3 22 3 0.0 0.047 0.269 (0;000) ✗ 27/01/17
YSi2 ICSD 150662 I4_1/amd (141) ✔ 6 38 3 0.0 0.000 0.683 (1;111) ✗ 27/01/17
ZrSi2 COD 1010265 Cmcm (63) ✔ 6 24 3 0.0 0.009 0.697 (1;110) ✗ 27/01/17
ZrSi2 COD 1528853 Cmcm (63) ✔ 6 24 3 0.0 0.014 0.331 (1;110) ✗ 27/01/17
Si ICSD 163246 I4/mmm (139) ✔ 1 4 1 0.0 0.027 0.613 (0;000) ✗ 27/01/17
Si COD 4507226 Fd-3m (227) ✔ 4 16 3 0.0 0.001 0.383 (0;000) ✗ 27/01/17
GeS ICSD 155418 Cmcm (63) ✔ 4 20 3 0.0 0.012 0.256 (0;000) ✗ 06/10/16
Si COD 9011056 Ia3 (206) ✔ 8 32 3 0.0 0.000 0.092 (1;111) ✗ 27/01/17
Si COD 9011644 Cmce (64) ✔ 8 32 3 0.0 0.010 0.416 (1;000) ✗ 27/01/17
Si COD 9011656 Imma (74) ✔ 2 8 3 0.0 0.018 0.449 (1;000) ✗ 27/01/17
Si COD 9012724 Fm-3m (225) ✔ 1 4 3 0.0 0.000 0.610 (1;000) ✗ 27/01/17
Si COD 9012918 P6/mmm (191) ✔ 1 4 3 0.0 0.022 0.518 (0;001) ✗ 27/01/17
Si COD 9012919 P6_3/mmc (194) ✔ 2 8 3 0.0 0.008 0.744 (0;000) ✗ 27/01/17
NaTeAu COD 1510246 P6_3/mmc (194) ✔ 6 52 2 0.0 0.001 0.028 (1;000) ✗ 05/01/17
SrZnSi ICSD 86388 P6_3/mmc (194) ✔ 6 52 2 0.0 0.024 0.246 (0;000) ✗ 27/01/17
Ta2Si ICSD 652302 I4/mcm (140) ✔ 6 60 3 0.0 0.075 0.341 (1;000) ✗ 27/01/17
Ta2V3Si ICSD 652343 P6_3/mmc (194) ✔ 12 138 3 0.0 0.000 0.803 (1;000) ✗ 27/01/17
SiTe2 COD 9009119 P-3m1 (164) ✔ 3 16 2 0.0 0.001 0.463 (1;000) ✗ 27/01/17
YTiSi ICSD 88113 P4/nmm (129) ✔ 6 54 3 0.0 0.000 0.677 (0;001) ✗ 27/01/17
V3Si COD 1011299 Pm-3n (223) ✔ 8 86 3 0.0 0.000 0.901 (1;000) ✗ 27/01/17
ZrVSi COD 9008332 P4/nmm (129) ✔ 6 42 3 0.0 0.000 0.805 (0;000) ✗ 27/01/17
SiW3 ICSD 52476 Im-3m (229) ✔ 4 46 3 0.0 0.000 0.820 (0;000) ✗ 27/01/17
Zr2Si ICSD 652618 I4/mcm (140) ✔ 6 24 3 0.0 0.004 0.346 (1;000) ✗ 27/01/17
YSi ICSD 42949 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.699 (0;110) ✗ 27/01/17
ZrSi ICSD 31084 I4_1/amd (141) ✔ 4 16 3 0.0 0.000 0.536 (1;111) ✗ 27/01/17
ZrSi COD 1528852 Pnma (62) ✔ 8 32 3 0.0 0.018 0.214 (1;000) ✗ 27/01/17
YZnSn2 ICSD 183309 P4/nmm (129) ✔ 8 102 3 0.0 0.000 0.809 (0;001) ✗ 27/01/17
Sn ICSD 236751 Im-3m (229) ✔ 1 14 3 0.0 0.000 0.755 (1;111) ✗ 27/01/17
Sn COD 9008568 Fd-3m (227) ✔ 2 28 3 0.0 0.000 0.107 (0;000) ✗ 27/01/17
Sn COD 9008570 I4_1/amd (141) ✔ 2 28 3 0.0 0.083 0.441 (1;111) ✗ 27/01/17
Sn COD 9012005 Fm-3m (225) ✔ 1 14 1 0.0 0.262 0.540 (0;000) ✗ 27/01/17
SrSn COD 2310469 Cmcm (63) ✔ 4 48 1 0.0 0.058 0.207 (0;110) ✗ 27/01/17
SrZnSn ICSD 54356 P6_3/mmc (194) ✔ 6 72 2 0.0 0.013 0.185 (0;000) ✗ 27/01/17
Ta3Sn COD 4123983 Pm-3n (223) ✔ 8 106 3 0.0 0.000 0.838 (1;000) ✗ 27/01/17
Nb3Au COD 1510253 Pm-3n (223) ✔ 8 100 3 0.0 0.000 0.689 (1;111) ✗ 05/01/17
ZrSnTe ICSD 80190 P4/nmm (129) ✔ 6 48 3 0.0 0.016 0.042 (0;001) ✗ 27/01/17
Ti2Sn COD 1527932 P6_3/mmc (194) ✔ 6 76 3 0.0 0.016 0.013 (0;000) ✗ 27/01/17
Ti3Sn ICSD 106087 Pm-3m (221) ✔ 4 50 3 0.0 0.000 0.524 (1;000) ✗ 27/01/17
Ti3Sn ICSD 182427 P6_3/mmc (194) ✔ 8 100 3 0.0 0.000 0.727 (1;000) ✗ 27/01/17
V3Sn COD 1527071 Pm-3n (223) ✔ 8 106 3 0.0 0.000 0.923 (1;000) ✗ 27/01/17
V3Sn COD 1527123 P6_3/mmc (194) ✔ 8 106 3 0.0 0.000 0.724 (1;000) ✗ 27/01/17
Zr3Sn COD 1528001 Pm-3n (223) ✔ 8 52 3 0.0 0.002 0.932 (1;000) ✗ 27/01/17
S COD 7101265 Pm-3m (221) ✔ 1 6 1 0.0 0.000 0.698 (0;000) ✗ 27/01/17
Sr2AuN COD 1510242 Cmcm (63) ✔ 8 72 1 0.0 0.034 0.028 (0;000) ✗ 05/01/17
S COD 9011640 R-3m (166) ✔ 1 6 3 0.0 0.000 0.717 (1;000) ✗ 27/01/17
Sr ICSD 109026 I4/mcm (140) ✔ 4 40 1 0.0 0.005 0.557 (0;000) ✗ 27/01/17
Sr ICSD 182337 P6/mmm (191) ✔ 1 10 1 0.0 0.014 0.741 (0;000) ✗ 27/01/17
Sr ICSD 109027 P4/mmm (123) ✔ 1 10 1 0.0 0.001 0.587 (0;000) ✗ 27/01/17
Sr ICSD 79592 P6/mmm (191) ✔ 1 10 1 0.0 0.022 0.520 (0;000) ✗ 27/01/17
Sr COD 1512543 Fm-3m (225) ✔ 1 10 1 0.0 0.041 0.180 (0;000) ✗ 27/01/17
Sr ICSD 41236 P6/mmm (191) ✔ 1 10 1 0.0 0.018 0.306 (0;000) ✗ 27/01/17
Sr COD 9011726 I4_1/amd (141) ✔ 2 20 1 0.0 0.003 0.174 (1;111) ✗ 27/01/17
Sr COD 9012727 Im-3m (229) ✔ 1 10 1 0.0 0.000 0.347 (0;000) ✗ 27/01/17
Sr COD 9012728 P6_3/mmc (194) ✔ 2 20 1 0.0 0.009 0.365 (0;000) ✗ 27/01/17
SrTe ICSD 52491 Pm-3m (221) ✔ 2 16 1 0.0 0.039 0.061 (1;000) ✗ 27/01/17
RhN ICSD 167872 F-43m (216) ✗ 2 22 3 0.0 0.031 0.689 (1;000) ✔ 06/10/16
SrTl2 COD 1527561 P6_3/mmc (194) ✔ 6 72 3 0.0 0.007 0.086 (0;000) ✗ 27/01/17
SrZn2 COD 2310343 Imma (74) ✔ 6 68 3 0.0 0.011 0.504 (0;111) ✗ 27/01/17
SrZn5 ICSD 418615 P6/mmm (191) ✔ 6 70 3 0.0 0.000 0.653 (1;000) ✗ 27/01/17
ZrSiS COD 1527641 P4/nmm (129) ✔ 6 28 3 0.0 0.040 0.037 (0;001) ✗ 27/01/17
SnS ICSD 52106 Cmcm (63) ✔ 4 40 1 0.0 0.084 0.171 (0;000) ✗ 27/01/17
YCu ICSD 185943 Pmnb (62) ✔ 8 88 3 0.0 0.006 0.197 (1;000) ✗ 06/10/16
Ti5Al2C3 ICSD 187748 R3m (160) ✗ 10 78 3 0.0 0.002 0.953 ? ✗ 06/10/16
Al6C3N2 ICSD 14399 R3m (160) ✗ 11 40 3 0.0 0.001 0.475 (1;000) ✔ 06/10/16
TiCu2 ICSD 629379 Ccmm (63) ✔ 6 68 3 0.0 0.012 0.073 (1;000) ✗ 06/10/16
TiS COD 9008918 P6_3/mmc (194) ✔ 4 36 3 0.0 0.002 0.326 (0;000) ✗ 27/01/17
Tl2S COD 9012278 P-3m1 (164) ✔ 3 32 3 0.0 0.015 0.183 (0;000) ✗ 27/01/17
VS COD 9008922 P6_3/mmc (194) ✔ 4 38 3 0.0 0.000 0.834 (0;000) ✗ 27/01/17
ZrS COD 9008781 Fm-3m (225) ✔ 2 10 3 0.0 0.000 0.539 (0;000) ✗ 27/01/17
ZrS COD 9008959 P4/nmm (129) ✔ 4 20 2 0.0 0.023 0.200 (0;000) ✗ 27/01/17
TaTc COD 1527277 Pm-3m (221) ✔ 2 28 3 0.0 0.028 0.247 (0;111) ✗ 27/01/17
TaZn2 ICSD 652937 P6_3/mmc (194) ✔ 12 148 3 0.0 0.024 0.315 (1;000) ✗ 27/01/17
Tc ICSD 76953 P6_3/mmc (194) ✔ 2 30 3 0.0 0.000 0.631 (1;000) ✗ 27/01/17
VTc COD 1527275 Pm-3m (221) ✔ 2 28 3 0.0 0.020 0.250 (0;111) ✗ 27/01/17
TiTe2 COD 1008063 P-3m1 (164) ✔ 3 24 2 0.0 0.006 0.346 (0;000) ✗ 27/01/17
Al6C3N2 ICSD 654993 R3m (160) ✗ 11 40 3 0.0 0.000 0.475 (0;000) ✔ 06/10/16
YTe2 ICSD 653179 P4/nmm (129) ✔ 6 46 3 0.0 0.000 0.663 (0;000) ✗ 27/01/17
ZrTe2 ICSD 653213 P-3m1 (164) ✔ 3 16 2 0.0 0.002 0.303 (1;001) ✗ 27/01/17
Ti3Te4 ICSD 653076 C2/m (12) ✔ 7 60 3 0.0 0.021 0.318 (0;110) ✗ 27/01/17
Ti5Te4 COD 2310397 I4/m (87) ✔ 9 84 3 0.0 0.002 0.609 (1;111) ✗ 27/01/17
Ag3Hg4 COD 5910050 Im-3m (229) ✔ 14 162 3 0.0 0.000 0.571 (1;111) ✗ 30/01/17
Ti(VTe2)2 ICSD 653087 C2/m (12) ✔ 7 62 3 0.0 0.009 0.663 (1;000) ✗ 27/01/17
ZrTiTe4 ICSD 40496 P2/m (10) ✔ 6 40 2 0.0 0.018 0.262 (1;010) ✗ 27/01/17
Te ICSD 52499 R-3m (166) ✔ 2 12 3 0.0 0.136 0.557 (1;000) ✗ 27/01/17
Te ICSD 97742 C2/m (12) ✔ 3 18 3 0.0 0.040 0.497 (1;000) ✗ 27/01/17
TiTe COD 1522489 P6_3/mmc (194) ✔ 4 36 3 0.0 0.003 0.456 (1;000) ✗ 27/01/17
Te ICSD 52500 R-3m (166) ✔ 1 6 3 0.0 0.003 0.762 (0;000) ✗ 27/01/17
TiTe COD 9008920 P6_3/mmc (194) ✔ 4 36 3 0.0 0.003 0.503 (1;000) ✗ 27/01/17
VTe COD 9008924 P6_3/mmc (194) ✔ 4 38 3 0.0 0.000 0.802 (0;000) ✗ 27/01/17
ZnTe ICSD 184493 Cmcm (63) ✔ 4 36 3 0.0 0.064 0.275 (0;000) ✗ 27/01/17
ZnTe COD 1010535 Fm-3m (225) ✔ 2 18 3 0.0 0.000 0.283 (0;000) ✗ 27/01/17
Zr3Te ICSD 653216 R-3m (166) ✔ 12 54 3 0.0 0.047 0.356 (0;111) ✗ 27/01/17
ZrTe COD 4115497 Pnma (62) ✔ 8 40 3 0.0 0.022 0.139 (0;000) ✗ 27/01/17
ZrTe COD 9008925 P6_3/mmc (194) ✔ 4 20 3 0.0 0.003 0.505 (0;000) ✗ 27/01/17
Ti2Zn ICSD 653304 I4/mmm (139) ✔ 3 36 3 0.0 0.003 0.482 (0;111) ✗ 27/01/17
Ti COD 9008517 P6_3/mmc (194) ✔ 2 24 3 0.0 0.006 0.332 (1;000) ✗ 27/01/17
Ti COD 9011600 P6/mmm (191) ✔ 2 24 3 0.0 0.015 0.398 (1;001) ✗ 27/01/17
Ti COD 9012924 Im-3m (229) ✔ 1 12 3 0.0 0.000 0.546 (0;000) ✗ 27/01/17
Ti COD 9012925 P6/mmm (191) ✔ 3 36 3 0.0 0.027 0.122 (1;000) ✗ 27/01/17
TiZn2 COD 1527930 P6_3/mmc (194) ✔ 12 144 3 0.0 0.002 0.727 (0;000) ✗ 27/01/17
TiZn3 COD 1527931 Pm-3m (221) ✔ 4 48 3 0.0 0.000 0.713 (1;111) ✗ 27/01/17
YTl3 COD 1527196 Pm-3m (221) ✔ 4 50 3 0.0 0.032 0.441 (0;111) ✗ 27/01/17
Tl COD 9008518 P6_3/mmc (194) ✔ 2 26 3 0.0 0.000 0.516 (0;000) ✗ 27/01/17
YTl COD 1527195 Pm-3m (221) ✔ 2 24 3 0.0 0.000 0.388 (0;000) ✗ 27/01/17
ZrV2 COD 1527368 Fd-3m (227) ✔ 6 60 3 0.0 0.000 0.683 (0;000) ✗ 27/01/17
V4Zn5 COD 1528038 I4/mmm (139) ✔ 9 112 3 0.0 0.002 0.859 (0;000) ✗ 27/01/17
ZrW2 ICSD 653438 Fd-3m (227) ✔ 6 64 3 0.0 0.000 0.646 (0;000) ✗ 27/01/17
W COD 9006499 Im-3m (229) ✔ 1 14 3 0.0 0.000 0.473 (0;111) ✗ 27/01/17
Y ICSD 187638 C2/m (12) ✔ 2 22 3 0.0 0.054 0.460 (1;110) ✗ 27/01/17
Y COD 9010984 P6_3/mmc (194) ✔ 2 22 3 0.0 0.000 0.918 (0;000) ✗ 27/01/17
ZrZn2 ICSD 653508 Fd-3m (227) ✔ 6 56 3 0.0 0.000 0.890 (0;000) ✗ 27/01/17
Zn COD 9012435 P6_3/mmc (194) ✔ 2 24 3 0.0 0.012 0.366 (1;000) ✗ 27/01/17
Zr2Zn ICSD 653511 I4/mmm (139) ✔ 3 20 3 0.0 0.032 0.475 (0;111) ✗ 27/01/17
ZrZn ICSD 106235 Pm-3m (221) ✔ 2 16 3 0.0 0.022 0.090 (0;111) ✗ 27/01/17
ZrZn COD 1527718 Fm-3m (225) ✔ 2 16 3 0.0 0.085 0.440 (1;000) ✗ 27/01/17
Zr COD 9008523 P6_3/mmc (194) ✔ 2 8 3 0.0 0.002 0.303 (0;000) ✗ 27/01/17
Zr COD 9008559 Im-3m (229) ✔ 1 4 3 0.0 0.000 0.516 (0;000) ✗ 27/01/17
Rb3AuO COD 1510260 Pm-3m (221) ✔ 5 44 1 0.0 0.154 0.053 (0;000) ✗ 05/01/17
Ba3Ag2 ICSD 108847 R-3 (148) ✔ 15 156 2 0.0 0.002 0.564 (0;111) ✗ 30/01/17
Pb2Au COD 1510272 I4/mcm (140) ✔ 6 78 3 0.0 0.001 0.588 (0;111) ✗ 05/01/17
Zr2Al4C5 ICSD 173676 R3m (160) ✗ 11 40 3 0.0 0.014 0.496 (0;000) ✔ 06/10/16
NbAs ICSD 16585 I4_1md (109) ✗ 4 36 3 0.0 0.019 0.026 (0;101) ✔ 06/10/16
Li3Ag2Ge3 COD 1509812 P4_2/nnm (134) ✔ 16 86 3 0.0 0.000 0.732 (1;111) ✗ 30/01/17
TaN ICSD 644712 P-62m (189) ✗ 6 54 3 0.0 0.000 0.289 (0;100) ✔ 06/10/16
ZrCu2 ICSD 191405 Cmcm (63) ✔ 6 68 3 0.0 0.010 0.168 (1;000) ✗ 06/10/16
Zr3(Al2C3)2 ICSD 173677 R3m (160) ✗ 13 48 3 0.0 0.010 0.526 ? ✗ 06/10/16
RbTeAu COD 1510282 P6_3/mmc (194) ✔ 6 52 2 0.0 0.008 0.015 (0;000) ✗ 05/01/17
VAuS2 COD 1510284 P6_3/mmc (194) ✔ 8 72 3 0.0 0.553 0.073 (0;000) ✗ 05/01/17
KAg2 ICSD 150142 P6_3/mmc (194) ✔ 12 124 3 0.0 0.008 0.675 (0;000) ✗ 30/01/17
Li3Si3Ag2 COD 1509667 P4_2/nnm (134) ✔ 16 86 3 0.0 0.000 0.725 (0;111) ✗ 30/01/17
Sb3Au COD 1510290 Im-3m (229) ✔ 4 26 3 0.0 0.000 0.613 (1;000) ✗ 05/01/17
Cu3Ge ICSD 86003 Pnmm (59) ✔ 8 74 3 0.0 0.000 0.913 (1;000) ✗ 06/10/16
SrSbAu COD 1510286 P6_3/mmc (194) ✔ 6 52 3 0.0 0.000 0.446 (0;000) ✗ 05/01/17
AuSe COD 1510294 C2/m (12) ✔ 4 34 2 0.0 0.719 0.042 (0;000) ✗ 05/01/17
AuSe COD 1510296 P6_3/mmc (194) ✔ 4 34 3 0.0 0.000 0.857 (0;000) ✗ 05/01/17
SiAg2 ICSD 605838 Cmcm (63) ✔ 12 104 3 0.0 0.011 0.455 (1;000) ✗ 30/01/17
AuSe COD 1510297 C2/m (12) ✔ 8 68 2 0.0 0.580 0.173 (0;000) ✗ 05/01/17
Sr3Ag2 COD 1509721 R-3 (148) ✔ 15 156 1 0.0 0.000 0.679 (1;000) ✗ 30/01/17
Cu3Sb ICSD 44479 Pmmn (59) ✔ 8 76 3 0.0 0.003 0.193 (1;000) ✗ 27/01/17
CaCdSn ICSD 58878 P-62m (189) ✗ 9 108 3 0.0 0.039 0.239 (1;000) ✔ 05/12/16
Ag3As COD 9015121 Pm-3n (223) ✔ 8 76 3 0.0 0.018 0.286 (1;000) ✗ 30/01/17
SnAu COD 1510301 P6_3/mmc (194) ✔ 4 50 3 0.0 0.000 0.750 (1;000) ✗ 05/01/17
Ta3Au COD 1510309 Pm-3n (223) ✔ 8 100 3 0.0 0.000 0.563 (0;000) ✗ 05/01/17
Ca(GePt)2 ICSD 619327 P2_1 (4) ✗ 10 76 3 0.0 0.126 0.862 (0;000) ✔ 05/12/16
Y3Ga8Ag3 ICSD 602589 Immm (71) ✔ 14 170 3 0.0 0.006 0.395 (1;111) ✗ 30/01/17
Ti3Au COD 1510314 Pm-3n (223) ✔ 8 94 3 0.0 0.000 0.710 (1;000) ✗ 05/01/17
KAg3Se2 COD 8103421 C2/m (12) ✔ 12 108 1 0.0 0.023 0.017 (0;000) ✗ 30/01/17
TiAu ICSD 612415 P4/nmm (129) ✔ 4 46 3 0.0 0.000 0.844 (1;001) ✗ 05/01/17
KAg3Te2 COD 8103422 C2/m (12) ✔ 12 108 3 0.0 0.042 0.025 (1;000) ✗ 30/01/17
Ni2Ag3O4 COD 1510021 P6_3/mmc (194) ✔ 18 154 3 0.0 0.000 0.975 (1;000) ✗ 30/01/17
Ag3PO4 ICSD 31078 Pm-3n (223) ✔ 16 124 3 0.0 0.002 0.391 (0;000) ✗ 30/01/17
Cu3Sb ICSD 628990 Pmnm (59) ✔ 8 76 3 0.0 0.012 0.233 (1;000) ✗ 06/10/16
Ag3P COD 9015865 Pm-3n (223) ✔ 8 76 3 0.0 0.001 0.278 (0;000) ✗ 30/01/17
CaSnHg ICSD 602726 P6_3mc (186) ✗ 6 72 3 0.0 0.049 0.221 (0;000) ✔ 28/10/16
Tl2Au COD 1510315 I4/mcm (140) ✔ 6 74 3 0.0 0.002 0.689 (1;111) ✗ 05/01/17
V3Au ICSD 612459 Pm-3n (223) ✔ 8 100 3 0.0 0.000 0.652 (1;111) ✗ 05/01/17
CaIrO3 ICSD 159030 Cmc2_1 (36) ✗ 10 90 2 0.0 0.000 0.405 (1;001) ✔ 05/12/16
Zr3Al2 ICSD 58231 P4_2/mnm (136) ✔ 20 72 3 0.0 0.001 0.797 (0;000) ✗ 30/01/17
V3Au COD 2310079 Pm-3m (221) ✔ 4 50 3 0.0 0.000 0.560 (0;000) ✗ 05/01/17
K2Ag4Se3 COD 1509883 C2/m (12) ✔ 18 160 1 0.0 0.005 0.014 (1;000) ✗ 30/01/17
YAu COD 1510318 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.564 (0;111) ✗ 05/01/17
TaN ICSD 644729 Cm2m (38) ✗ 6 54 3 0.0 0.000 0.288 (1;100) ✔ 06/10/16
Cu3Sn ICSD 150503 Pmnm (59) ✔ 8 94 3 0.0 0.000 0.939 (0;000) ✗ 06/10/16
RbAg5Se3 COD 1509927 P4/nbm (125) ✔ 18 164 2 0.0 0.005 0.099 (1;000) ✗ 30/01/17
Ag7NO8 COD 1509963 Fm-3m (225) ✔ 16 130 3 0.0 0.008 0.534 (1;000) ✗ 30/01/17
CaIrO3 ICSD 159031 Cmc2_1 (36) ✗ 10 74 2 0.0 0.000 0.393 ? ✗ 06/10/16
Cs2AgAuCl6 COD 1010145 Fm-3m (225) ✔ 10 82 3 0.0 0.000 0.488 (0;000) ✗ 30/01/17
AgTe4Au COD 1509207 P2/c (13) ✔ 12 92 3 0.0 0.183 0.035 (0;000) ✗ 30/01/17
BaAg COD 2105337 Pnma (62) ✔ 8 84 2 0.0 0.002 0.417 (1;011) ✗ 30/01/17
Zr3Au COD 1510331 Pm-3n (223) ✔ 8 46 3 0.0 0.000 0.760 (0;000) ✗ 05/01/17
HfB12 ICSD 614421 Fm-3m (225) ✔ 13 48 3 0.0 0.000 0.835 (0;000) ✗ 05/01/17
CaIrO3 ICSD 159032 Cmc2_1 (36) ✗ 10 74 2 0.0 0.000 0.318 ? ✗ 06/10/16
NiB12 ICSD 614986 Fm-3m (225) ✔ 13 46 3 0.0 0.000 0.619 (0;000) ✗ 05/01/17
B12S ICSD 150626 R-3m (166) ✔ 13 42 3 0.0 0.009 0.230 (0;000) ✗ 05/01/17
TiCu3 ICSD 107712 Pmmn (59) ✔ 8 90 3 0.0 0.000 0.795 (1;000) ✗ 27/01/17
AgBiTe2 COD 9001316 P-3m1 (164) ✔ 12 114 3 0.0 0.022 0.179 (0;000) ✗ 30/01/17
CaMoO ICSD 187218 P1 (1) ✗ 12 120 1 0.0 0.008 0.783 (1;000) ✔ 05/12/16
ZrB12 COD 8100740 Fm-3m (225) ✔ 13 40 3 0.0 0.000 0.844 (1;000) ✗ 05/01/17
CaPdPb ICSD 106355 P-62m (189) ✗ 9 126 3 0.0 0.000 0.592 (1;100) ✔ 05/12/16
Ca2Si3Ag COD 1509769 Fmmm (69) ✔ 12 86 2 0.0 0.000 0.521 (0;110) ✗ 30/01/17
CaAgSb COD 1509165 Pnma (62) ✔ 12 104 3 0.0 0.155 0.115 (0;000) ✗ 30/01/17
CaSiPt ICSD 72640 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.533 (0;000) ✔ 05/12/16
CaZnSn ICSD 106358 P6_3mc (186) ✗ 6 72 3 0.0 0.030 0.241 (0;000) ✔ 06/10/16
Ba(BIr)2 COD 7209455 I4/mmm (139) ✔ 5 50 2 0.0 0.001 0.558 (1;001) ✗ 05/01/17
Ba(BRh)2 COD 7209430 I4/mmm (139) ✔ 5 50 2 0.0 0.016 0.233 (0;111) ✗ 05/01/17
CsN ICSD 29106 Pm-3m (221) ✔ 2 14 1 0.0 0.000 0.697 (0;000) ✗ 27/01/17
Ca3Ni7B2 COD 8103447 R-3m (166) ✔ 12 106 3 0.0 0.005 0.372 (0;000) ✗ 05/01/17
TlS ICSD 651241 R-3m (166) ✔ 4 38 3 0.0 0.240 0.173 (0;000) ✗ 27/01/17
Cr2AgTe4 COD 1509274 Fd-3m (227) ✔ 14 126 3 0.0 0.001 0.600 (0;000) ✗ 30/01/17
Cs2AgF4 ICSD 155817 Cmce (64) ✔ 14 114 2 0.0 0.000 0.926 (0;000) ✗ 30/01/17
Ca(BIr)2 COD 7209442 Fddd (70) ✔ 10 100 3 0.0 0.111 0.238 (1;111) ✗ 05/01/17
Ca(BRh)2 COD 7209444 Fddd (70) ✔ 10 100 3 0.0 0.021 0.206 (1;111) ✗ 05/01/17
CuAgF3 ICSD 174407 P-1 (2) ✔ 20 172 3 0.0 0.009 0.589 (1;011) ✗ 30/01/17
CuAgS ICSD 251149 P4/nmm (129) ✔ 18 168 3 0.0 0.003 0.242 (1;000) ✗ 30/01/17
Zr2AgPdF11 ICSD 65181 C2/m (12) ✔ 15 114 3 0.0 0.015 0.059 (0;000) ✗ 30/01/17
Nb3AgTe4 ICSD 605595 P6_3/m (176) ✔ 16 148 3 0.0 0.000 0.831 (1;000) ✗ 30/01/17
KAgF3 COD 7200990 Pnma (62) ✔ 20 164 3 0.0 0.001 0.443 (0;110) ✗ 30/01/17
K2AgF4 ICSD 421461 P2_1/c (14) ✔ 14 114 1 0.0 0.000 0.547 (0;010) ✗ 30/01/17
K2AgF4 COD 7200988 Cmce (64) ✔ 14 114 2 0.0 0.000 0.891 (0;000) ✗ 30/01/17
AgPdF6 COD 1509328 P-1 (2) ✔ 16 142 3 0.0 0.022 0.412 (1;100) ✗ 30/01/17
ZrCl ICSD 868 C2/m (12) ✔ 4 38 2 0.0 0.064 0.228 (0;111) ✔ 04/10/16
SiPt3 ICSD 246170 C2/m (12) ✔ 8 68 3 0.0 0.131 0.074 (0;000) ✔ 27/01/17
NiAs ICSD 655881 Ccm2_1 (36) ✗ 4 30 3 0.0 0.000 0.753 (0;110) ✔ 06/10/16
TlN ICSD 184575 F-43m (216) ✗ 2 18 3 0.0 0.012 0.003 (1;000) ✔ 06/10/16
Zr5In3Ag ICSD 190116 P6_3/mcm (193) ✔ 18 140 3 0.0 0.000 0.676 (1;000) ✗ 30/01/17
Ca3(GaNi)4 ICSD 58899 I-43m (217) ✗ 11 122 3 0.0 0.000 0.663 ? ✗ 06/10/16
Co2B2O5 COD 1511002 P-1 (2) ✔ 18 140 3 0.0 0.014 0.458 (1;111) ✗ 05/01/17
ScCo3B2 COD 1510622 P6/mmm (191) ✔ 6 68 3 0.0 0.004 0.449 (0;000) ✗ 05/01/17
YCo3B2 COD 1510628 P6/mmm (191) ✔ 6 68 3 0.0 0.001 0.504 (1;001) ✗ 05/01/17
NbCoB2 COD 1510988 Pnma (62) ✔ 16 144 3 0.0 0.007 0.245 (0;000) ✗ 05/01/17
Ca3(SiIr)4 ICSD 95788 I-43m (217) ✗ 11 82 3 0.0 0.000 0.576 ? ✗ 06/10/16
Co(BO2)2 ICSD 422063 C2/c (15) ✔ 14 94 3 0.0 0.000 0.808 (1;011) ✗ 05/01/17
K5Ag(NO)2 ICSD 73296 Pbam (55) ✔ 20 156 1 0.0 0.001 0.373 (0;000) ✗ 30/01/17
TaCoB2 ICSD 613324 Pnma (62) ✔ 16 144 3 0.0 0.028 0.238 (0;000) ✗ 05/01/17
Ag(MoSe)3 ICSD 603624 P6_3/m (176) ✔ 14 142 3 0.0 0.000 0.338 (0;000) ✗ 30/01/17
Cr3CdTe4 ICSD 181055 P-43m (215) ✗ 8 78 3 0.0 0.000 0.425 ? ✗ 06/10/16
Nb2CrB2 ICSD 613529 P4/mbm (127) ✔ 10 92 3 0.0 0.024 0.215 (1;000) ✗ 05/01/17
Ta2CrB2 ICSD 613557 P4/mbm (127) ✔ 10 92 3 0.0 0.001 0.247 (0;000) ✗ 05/01/17
NiF2 ICSD 34307 Pmnn (58) ✔ 6 48 3 0.0 0.017 0.293 (0;000) ✗ 06/10/16
Nb3AgS4 ICSD 605592 P6_3/m (176) ✔ 16 148 3 0.0 0.001 0.787 (0;000) ✗ 30/01/17
MgAl2 ICSD 608412 I4_1/amd (141) ✔ 12 64 3 0.0 0.016 0.882 (1;111) ✗ 30/01/17
Fe5B2P COD 1510698 I4/mcm (140) ✔ 16 102 3 0.0 0.001 0.760 (1;000) ✗ 05/01/17
Fe5SiB2 ICSD 614183 I4/mcm (140) ✔ 16 100 3 0.0 0.002 0.441 (1;111) ✗ 05/01/17
Fe(BMo)2 COD 1510683 P4/mbm (127) ✔ 10 84 3 0.0 0.003 0.774 (0;000) ✗ 05/01/17
AgN COD 8103398 Cmce (64) ✔ 8 64 1 0.0 0.001 0.419 (1;000) ✗ 30/01/17
AgSbO3 COD 1011279 Fd-3m (227) ✔ 20 136 3 0.0 0.000 0.357 (0;000) ✗ 30/01/17
Nb2FeB2 ICSD 614047 P4/mbm (127) ✔ 10 80 3 0.0 0.001 0.436 (1;000) ✗ 05/01/17
Ta2FeB2 ICSD 614207 P4/mbm (127) ✔ 10 80 3 0.0 0.001 0.401 (0;001) ✗ 05/01/17
Sr(BIr)2 COD 7209434 Fddd (70) ✔ 10 100 3 0.0 0.122 0.228 (1;111) ✗ 05/01/17
OsC ICSD 169403 P-6m2 (187) ✗ 2 20 3 0.0 0.000 0.436 (0;100) ✔ 06/10/16
VN ICSD 191061 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.163 (1;100) ✔ 06/10/16
NiF3 ICSD 87943 R-3 (148) ✔ 8 62 3 0.0 0.000 0.663 (0;000) ✗ 27/01/17
CrCd3Te4 ICSD 181053 P-43m (215) ✗ 8 74 3 0.0 0.032 0.067 (0;000) ✔ 06/10/16
SrSi ICSD 78997 Cmcm (63) ✔ 4 28 1 0.0 0.001 0.165 (0;110) ✗ 27/01/17
Y(BIr)2 COD 1510721 Fddd (70) ✔ 10 102 3 0.0 0.000 0.745 (1;111) ✗ 05/01/17
VAg(PS3)2 ICSD 202045 P2/c (13) ✔ 20 140 2 0.0 0.006 0.301 (0;000) ✗ 30/01/17
Zn(BIr)2 COD 1510722 I4/mmm (139) ✔ 5 52 3 0.0 0.063 0.027 (0;111) ✗ 05/01/17
Zr5AgPb3 ICSD 604206 P6_3/mcm (193) ✔ 18 146 3 0.0 0.000 0.980 (1;000) ✗ 30/01/17
ScB2Ir3 ICSD 614561 Cmmm (65) ✔ 6 68 3 0.0 0.011 0.364 (1;001) ✗ 05/01/17
YB2Ir3 COD 1510727 Cmmm (65) ✔ 6 68 3 0.0 0.015 0.380 (1;001) ✗ 05/01/17
Li2B2Rh3 ICSD 417442 Pbam (55) ✔ 14 126 3 0.0 0.000 0.971 (1;111) ✗ 05/01/17
Zr5AgSb3 ICSD 605789 P6_3/mcm (193) ✔ 18 92 3 0.0 0.003 0.643 (0;000) ✗ 30/01/17
VN ICSD 236783 F-43m (216) ✗ 2 18 3 0.0 0.000 0.388 (1;000) ✔ 06/10/16
FeO ICSD 82236 R-3m (166) ✔ 2 14 3 0.0 0.086 0.246 (0;000) ✗ 06/10/16
Mn(BMo)2 ICSD 614755 P4/mbm (127) ✔ 10 98 3 0.0 0.000 0.903 (0;001) ✗ 05/01/17
Al12Mo ICSD 608577 Im3 (204) ✔ 13 50 3 0.0 0.003 0.443 (0;000) ✗ 30/01/17
Al12W ICSD 58207 Im3 (204) ✔ 13 50 3 0.0 0.006 0.423 (0;000) ✗ 30/01/17
Mn(BW)2 COD 1510759 P4/mbm (127) ✔ 10 98 3 0.0 0.000 1.000 (1;110) ✗ 05/01/17
Nb(BMo)2 ICSD 614821 P4/mbm (127) ✔ 10 94 3 0.0 0.000 0.918 (0;110) ✗ 05/01/17
Ni(BMo)2 COD 1510766 Immm (71) ✔ 5 44 3 0.0 0.029 0.126 (1;000) ✗ 05/01/17
Sr(AlAu)2 ICSD 658124 P4/nmm (129) ✔ 10 76 3 0.0 0.053 0.933 (1;001) ✗ 30/01/17
Ba3(AlGe)2 ICSD 52612 Immm (71) ✔ 7 44 1 0.0 0.026 0.465 (1;000) ✗ 30/01/17
Ba3(AlSi)2 COD 7221269 Immm (71) ✔ 7 44 1 0.0 0.017 0.434 (1;000) ✗ 30/01/17
Ba3(AlSn)2 COD 7222229 Immm (71) ✔ 7 64 1 0.0 0.036 0.481 (1;111) ✗ 30/01/17
Ba(AlGe)2 COD 1532737 Pnma (62) ✔ 20 96 3 0.0 0.004 0.120 (0;000) ✗ 30/01/17
Ba(AlSi)2 ICSD 153384 Cmcm (63) ✔ 10 48 3 0.0 0.005 0.310 (1;110) ✗ 30/01/17
Ba(AlSi)2 COD 4308098 Pnma (62) ✔ 20 96 3 0.0 0.031 0.135 (0;000) ✗ 30/01/17
Ta(BMo)2 ICSD 614842 P4/mbm (127) ✔ 10 94 3 0.0 0.000 0.874 (1;111) ✗ 05/01/17
B2Mo3 ICSD 614800 P4/mbm (127) ✔ 10 96 3 0.0 0.006 0.688 (0;001) ✗ 05/01/17
B2Mo ICSD 167732 R-3m (166) ✔ 6 40 3 0.0 0.020 0.604 (0;111) ✗ 05/01/17
Nb3B2 ICSD 614907 P4/mbm (127) ✔ 10 90 3 0.0 0.000 0.784 (1;111) ✗ 05/01/17
TaAs ICSD 44068 I4_1md (109) ✗ 4 36 3 0.0 0.041 0.008 (1;001) ✔ 06/10/16
OsC ICSD 185996 F-43m (216) ✗ 2 20 3 0.0 0.341 0.015 (0;000) ✔ 06/10/16
BePd2 ICSD 107609 I4/mmm (139) ✔ 3 40 3 0.0 0.020 0.675 (0;000) ✗ 05/01/17
NbNiB2 ICSD 614910 Pnma (62) ✔ 16 116 3 0.0 0.001 0.470 (0;011) ✗ 05/01/17
Al2(FeSi)3 COD 2005761 P-1 (2) ✔ 16 84 3 0.0 0.087 0.028 (0;000) ✗ 30/01/17
Al2Fe3Si4 COD 2005762 Cmcm (63) ✔ 18 92 3 0.0 0.013 0.933 (0;000) ✗ 30/01/17
Sr3(AlGe2)2 ICSD 417968 C2/m (12) ✔ 9 52 2 0.0 0.044 0.050 (1;110) ✗ 30/01/17
Hf3Al2 ICSD 608103 P4_2/mnm (136) ✔ 20 168 3 0.0 0.007 0.698 (1;000) ✗ 30/01/17
HfAl2 ICSD 608088 P6_3/mmc (194) ✔ 12 72 3 0.0 0.008 0.316 (0;000) ✗ 30/01/17
Y(NiB)2 ICSD 615079 C2/c (15) ✔ 10 74 3 0.0 0.000 0.617 (1;011) ✗ 05/01/17
ZnNi3B2 COD 4325891 C2/m (12) ✔ 12 96 3 0.0 0.002 0.459 (0;111) ✗ 05/01/17
Ni(BO2)2 COD 1510786 C2/c (15) ✔ 14 80 3 0.0 0.007 0.476 (1;000) ✗ 05/01/17
TaNiB2 COD 1510787 Pnma (62) ✔ 16 116 3 0.0 0.000 0.480 (0;011) ✗ 05/01/17
Mn(AlS2)2 ICSD 608509 Fd-3m (227) ✔ 14 90 3 0.0 0.000 0.683 (0;000) ✗ 30/01/17
NaAl2Sb COD 9014095 P6_3/mmc (194) ✔ 8 40 1 0.0 0.004 0.321 (0;000) ✗ 30/01/17
B2Os COD 1510804 Pmmn (59) ✔ 6 44 3 0.0 0.175 0.368 (0;010) ✗ 05/01/17
YB2Os ICSD 615149 Pnma (62) ✔ 16 132 3 0.0 0.000 0.268 (1;011) ✗ 05/01/17
FeSe ICSD 182545 Cmme (67) ✔ 4 28 2 0.0 0.020 0.084 (0;000) ✗ 06/10/16
ReB2 COD 2310090 P6_3/mmc (194) ✔ 6 42 3 0.0 0.000 0.613 (1;000) ✗ 05/01/17
Ti2ReB2 COD 1510814 P4/mbm (127) ✔ 10 90 3 0.0 0.000 0.825 (0;000) ✗ 05/01/17
Sr(BRh)2 COD 7209441 Fddd (70) ✔ 10 100 3 0.0 0.043 0.203 (1;111) ✗ 05/01/17
YB2Rh3 ICSD 615340 Cmmm (65) ✔ 6 68 3 0.0 0.013 0.452 (0;000) ✗ 05/01/17
B2Ru COD 1510818 Pmmn (59) ✔ 6 44 3 0.0 0.059 0.376 (0;010) ✗ 05/01/17
YB2Ru ICSD 615399 Pnma (62) ✔ 16 132 3 0.0 0.000 0.441 (1;011) ✗ 05/01/17
Sr3(AlSn)2 COD 7222228 Immm (71) ✔ 7 64 1 0.0 0.003 0.603 (1;111) ✗ 30/01/17
Y3Al2 ICSD 247100 P4_2/mnm (136) ✔ 20 156 3 0.0 0.004 0.417 (1;000) ✗ 30/01/17
Al3(BRu2)2 ICSD 43844 P4/mmm (123) ✔ 18 158 3 0.0 0.002 0.844 (1;110) ✗ 30/01/17
Ba3Al3Ga2 ICSD 415931 P6_3/mmc (194) ✔ 16 130 2 0.0 0.000 0.590 (0;000) ✗ 30/01/17
ScB2 ICSD 106903 Fd-3m (227) ✔ 6 34 3 0.0 0.000 0.545 (0;000) ✗ 05/01/17
Ta3B2 ICSD 615504 P4/mbm (127) ✔ 10 90 3 0.0 0.000 0.888 (0;000) ✗ 05/01/17
PdC ICSD 183174 F-43m (216) ✗ 2 14 3 0.0 0.000 0.717 (1;000) ✔ 06/10/16
Hf5Al3 ICSD 57898 P6_3/mcm (193) ✔ 16 138 3 0.0 0.000 0.887 (0;000) ✗ 30/01/17
Hf5Al3N ICSD 603995 P6_3/mcm (193) ✔ 18 148 3 0.0 0.006 0.541 (1;000) ✗ 30/01/17
Sr2MgAl3 COD 4311324 P6_3/mmc (194) ✔ 12 78 1 0.0 0.000 0.981 (0;000) ✗ 30/01/17
Al3Ni ICSD 58040 Pnma (62) ✔ 16 76 3 0.0 0.000 0.540 (1;001) ✗ 30/01/17
YAl3Ni ICSD 160939 Pnma (62) ✔ 20 120 3 0.0 0.011 0.903 (0;000) ✗ 30/01/17
Al3Pt5 ICSD 656681 Pbam (55) ✔ 16 118 3 0.0 0.000 0.940 (1;100) ✗ 30/01/17
Sc2Al3Ru ICSD 58159 P6_3/mmc (194) ✔ 12 94 3 0.0 0.000 0.750 (1;000) ✗ 30/01/17
Ta5Al3 ICSD 609439 P6_3/mcm (193) ✔ 16 148 3 0.0 0.002 0.870 (0;000) ✗ 30/01/17
Y5Al3 ICSD 603810 P6_3/mcm (193) ✔ 16 128 3 0.0 0.001 0.354 (1;000) ✗ 30/01/17
YAl3 ICSD 609658 R-3m (166) ✔ 12 60 3 0.0 0.007 0.516 (1;000) ✗ 30/01/17
Zr5Al3 ICSD 58236 I4/mcm (140) ✔ 16 58 3 0.0 0.000 0.691 (1;000) ✗ 30/01/17
Zr5Al3 ICSD 609718 P6_3/mcm (193) ✔ 16 58 3 0.0 0.000 0.949 (1;000) ✗ 30/01/17
Mg2Al4Zn3 ICSD 180365 P6_3/mmc (194) ✔ 18 136 3 0.0 0.018 0.743 (1;000) ✗ 30/01/17
YAl4Ni ICSD 608951 Cmcm (63) ✔ 12 66 3 0.0 0.000 0.918 (1;000) ✗ 30/01/17
Zr5Al4 ICSD 191012 P6_3/mcm (193) ✔ 18 64 3 0.0 0.000 0.685 (1;000) ✗ 30/01/17
Ba3Al5 ICSD 65049 P6_3/mmc (194) ✔ 16 90 2 0.0 0.000 0.625 (0;000) ✗ 30/01/17
Ba4Al5 ICSD 420091 P6_3/mmc (194) ✔ 18 110 1 0.0 0.000 0.599 (0;000) ✗ 30/01/17
Al6Fe ICSD 607497 Cmcm (63) ✔ 14 52 3 0.0 0.003 0.288 (0;110) ✗ 30/01/17
MnAl6 ICSD 57972 Cmcm (63) ✔ 14 66 3 0.0 0.000 0.617 (1;000) ✗ 30/01/17
Al6Re ICSD 58149 Cmcm (63) ✔ 14 66 3 0.0 0.000 0.578 (1;000) ✗ 30/01/17
Al6Ru ICSD 58157 Cmcm (63) ✔ 14 68 3 0.0 0.027 0.280 (0;110) ✗ 30/01/17
Al6Tc ICSD 58177 Cmcm (63) ✔ 14 66 3 0.0 0.000 1.000 (1;000) ✗ 30/01/17
Ca(Al2Cu)4 ICSD 57539 I4/mmm (139) ✔ 13 78 3 0.0 0.003 0.521 (1;111) ✗ 30/01/17
Ca(MnAl2)4 ICSD 57545 I4/mmm (139) ✔ 13 94 3 0.0 0.004 0.728 (0;111) ✗ 30/01/17
NO ICSD 27871 P2_1/c (14) ✔ 8 44 1 0.0 0.002 0.048 (0;010) ✔ 27/01/17
TcB2 ICSD 615553 P6_3/mmc (194) ✔ 6 42 3 0.0 0.000 0.686 (1;000) ✗ 05/01/17
RhS2 COD 5910087 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.689 (1;111) ✗ 27/01/17
CaAlAu ICSD 370015 Pnma (62) ✔ 12 96 3 0.0 0.022 0.395 (1;000) ✗ 30/01/17
YAlAu ICSD 602610 Pnma (62) ✔ 12 100 3 0.0 0.002 0.848 (0;011) ✗ 30/01/17
Mg2AlB2Ir5 ICSD 606101 P4/mbm (127) ✔ 20 228 3 0.0 0.011 0.847 (0;001) ✗ 30/01/17
V3B2 COD 1510850 P4/mbm (127) ✔ 10 90 3 0.0 0.000 0.899 (0;000) ✗ 05/01/17
Co(BMo)3 ICSD 613173 Cmcm (63) ✔ 14 136 3 0.0 0.020 0.443 (0;110) ✗ 05/01/17
VCoB3 COD 1510897 Cmcm (63) ✔ 10 78 3 0.0 0.000 0.647 (0;110) ✗ 05/01/17
Ca2AlPd2 COD 4002146 C2/c (15) ✔ 10 118 3 0.0 0.000 0.504 (0;011) ✗ 30/01/17
Ca2AlPt2 COD 4002147 C2/c (15) ✔ 10 86 3 0.0 0.000 0.347 (0;101) ✗ 30/01/17
CaAl(OF2)2 COD 9002262 P-1 (2) ✔ 16 106 1 0.0 0.001 0.405 (1;110) ✗ 30/01/17
Cr2B3 COD 1510903 Cmcm (63) ✔ 10 74 3 0.0 0.000 0.854 (0;000) ✗ 05/01/17
Ni(BMo)3 ICSD 614824 Cmcm (63) ✔ 14 122 3 0.0 0.000 0.750 (0;110) ✗ 05/01/17
FeTe2 ICSD 86518 Pmnn (58) ✔ 6 40 3 0.0 0.691 0.013 (0;000) ✗ 06/10/16
CaAlPd ICSD 370036 Pbcm (57) ✔ 12 124 2 0.0 0.001 0.475 (1;010) ✗ 30/01/17
CaAlPt COD 2230981 Pnma (62) ✔ 12 92 3 0.0 0.006 0.883 (0;011) ✗ 30/01/17
Nb2B3 ICSD 656213 Cmcm (63) ✔ 10 70 3 0.0 0.000 0.900 (0;000) ✗ 05/01/17
Ni4B3 ICSD 150561 C2/c (15) ✔ 14 98 3 0.0 0.000 0.801 (0;100) ✗ 05/01/17
Ni4B3 COD 1510942 C2/c (15) ✔ 14 98 3 0.0 0.000 0.809 (1;101) ✗ 05/01/17
B3Os2 ICSD 424879 P6_3/mmc (194) ✔ 10 82 3 0.0 0.000 0.992 (1;000) ✗ 05/01/17
Zr3Fe ICSD 106700 Cmcm (63) ✔ 8 88 3 0.0 0.009 0.702 (1;000) ✗ 06/10/16
ReB3 ICSD 24361 P6_3/mmc (194) ✔ 8 48 3 0.0 0.012 0.698 (1;000) ✗ 05/01/17
B3Ru2 ICSD 108082 P6_3/mmc (194) ✔ 10 82 3 0.0 0.000 0.896 (0;000) ✗ 05/01/17
B3Ru2 COD 1510952 P6_3/mmc (194) ✔ 10 82 3 0.0 0.000 0.995 (1;000) ✗ 05/01/17
V2B3 COD 1510956 Cmcm (63) ✔ 10 70 3 0.0 0.000 0.911 (0;110) ✗ 05/01/17
TiS ICSD 52193 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.159 (1;100) ✔ 04/10/16
PtC ICSD 169405 P-6m2 (187) ✗ 2 14 3 0.0 0.012 0.443 (1;000) ✔ 06/10/16
OsN2 ICSD 290439 P-6m2 (187) ✗ 3 26 3 0.0 0.000 0.655 (0;100) ✔ 06/10/16
Fe2N ICSD 150889 Pcnb (60) ✔ 12 84 3 0.0 0.001 0.653 (0;101) ✗ 06/10/16
Co2B4Mo COD 1511696 Immm (71) ✔ 7 60 3 0.0 0.028 0.603 (1;111) ✗ 05/01/17
Y(CoB)4 ICSD 613410 P4_2/nmc (137) ✔ 18 182 3 0.0 0.000 0.885 (0;000) ✗ 05/01/17
CrB4 ICSD 186851 Pnnm (58) ✔ 10 52 3 0.0 0.006 0.081 (1;000) ✗ 05/01/17
Fe2B4Mo COD 1511736 Immm (71) ✔ 7 42 3 0.0 0.004 0.772 (1;000) ✗ 05/01/17
LaGa ICSD 423623 Cmcm (63) ✔ 4 32 3 0.0 0.008 0.299 (1;000) ✗ 06/10/16
MgAlSi ICSD 153548 Pnma (62) ✔ 12 68 3 0.0 0.000 0.549 (0;011) ✗ 30/01/17
HfB4Ir3 COD 2105436 P6_3/m (176) ✔ 16 150 3 0.0 0.000 0.587 (0;000) ✗ 05/01/17
ScB4Ir3 COD 1511750 P6_3/m (176) ✔ 16 148 3 0.0 0.001 0.211 (1;000) ✗ 05/01/17
ZrB4Ir3 ICSD 614583 P6_3/m (176) ✔ 16 134 3 0.0 0.000 0.667 (0;000) ✗ 05/01/17
Li2Ga ICSD 100051 Cmcm (63) ✔ 6 38 1 0.0 0.000 0.778 (1;110) ✗ 06/10/16
MgB4Os3 COD 1511478 Cmcm (63) ✔ 16 140 3 0.0 0.042 0.716 (0;110) ✗ 05/01/17
Zr5AlPb3 ICSD 604194 P6_3/mcm (193) ✔ 18 130 3 0.0 0.000 0.794 (1;000) ✗ 30/01/17
YAlPd ICSD 609063 Pnma (62) ✔ 12 128 3 0.0 0.020 0.404 (1;000) ✗ 30/01/17
AlPt3 ICSD 107439 P4/mbm (127) ✔ 8 66 3 0.0 0.000 0.715 (1;001) ✗ 30/01/17
AlPt3 ICSD 656679 I4/mcm (140) ✔ 8 66 3 0.0 0.001 0.579 (0;111) ✗ 30/01/17
YAlPt ICSD 609165 Pnma (62) ✔ 12 96 3 0.0 0.048 0.476 (1;000) ✗ 30/01/17
Mn2B4Mo ICSD 614748 Immm (71) ✔ 7 56 3 0.0 0.003 0.799 (1;000) ✗ 05/01/17
Zr5AlSb3 ICSD 609294 P6_3/mcm (193) ✔ 18 76 3 0.0 0.004 0.314 (1;000) ✗ 30/01/17
Mn2B4W ICSD 614782 Immm (71) ✔ 7 56 3 0.0 0.007 0.854 (1;000) ✗ 05/01/17
MnB4 ICSD 425100 P2_1/c (14) ✔ 10 54 3 0.0 0.000 0.914 (0;000) ✗ 05/01/17
Zr5AlSn3 COD 4002357 P6_3/mcm (193) ✔ 18 130 3 0.0 0.000 0.755 (1;000) ✗ 30/01/17
Y2Al ICSD 58211 Pnma (62) ✔ 12 100 3 0.0 0.000 0.573 (0;011) ✗ 30/01/17
ScGa ICSD 103954 Cmcm (63) ✔ 4 48 3 0.0 0.003 0.442 (1;000) ✗ 06/10/16
B4Mo ICSD 182095 P6_3/mmc (194) ✔ 20 104 3 0.0 0.002 0.542 (0;000) ✗ 05/01/17
B4Rh5 COD 1511510 P6_3/mmc (194) ✔ 18 194 3 0.0 0.000 0.866 (0;000) ✗ 05/01/17
BaB6 COD 1009052 Pm-3m (221) ✔ 7 28 3 0.0 0.006 0.010 (1;111) ✗ 05/01/17
PtC ICSD 181113 F-43m (216) ✗ 2 14 3 0.0 0.018 0.705 (1;000) ✔ 06/10/16
PtN2 ICSD 290445 P-6m2 (187) ✗ 3 20 3 0.0 0.007 0.161 (1;100) ✔ 06/10/16
YGa ICSD 104030 Cmcm (63) ✔ 4 48 3 0.0 0.001 0.461 (1;000) ✗ 06/10/16
Ca(Ni2B)6 COD 8103487 R-3m (166) ✔ 19 148 3 0.0 0.003 0.766 (1;111) ✗ 05/01/17
Y4(FeB2)3 ICSD 614271 R-3m (166) ✔ 13 86 3 0.0 0.010 0.699 (1;000) ✗ 05/01/17
Sr(Ni2B)6 COD 8103490 R-3m (166) ✔ 19 148 3 0.0 0.001 0.724 (0;000) ✗ 05/01/17
Y2(NiB2)3 ICSD 615078 Cmmm (65) ✔ 11 70 3 0.0 0.010 0.493 (0;111) ✗ 05/01/17
ReN2 ICSD 187441 C2/m (12) ✔ 6 50 3 0.0 0.405 0.171 (0;000) ✔ 06/10/16
B9N COD 1525095 I4/mmm (139) ✔ 10 32 1 0.0 0.001 0.538 (0;111) ✗ 05/01/17
Ba2BiIrO6 ICSD 174289 Fm-3m (225) ✔ 10 88 3 0.0 0.327 0.036 (0;000) ✗ 05/01/17
ScGa2 ICSD 103956 Cmmm (65) ✔ 6 74 3 0.0 0.017 0.510 (1;001) ✗ 06/10/16
CdSO4 ICSD 9723 P3m1 (156) ✗ 12 84 3 0.0 0.005 0.221 ? ✗ 06/10/16
CrAs2 ICSD 43898 C2/m (12) ✔ 6 48 3 0.0 0.022 0.319 (0;000) ✔ 05/01/17
ReN2 ICSD 187448 Pm (6) ✗ 6 50 3 0.0 0.009 0.644 (1;000) ✔ 06/10/16
ZrGa2 ICSD 104041 Cmmm (65) ✔ 6 76 3 0.0 0.016 0.470 (1;110) ✗ 06/10/16
Ge5(Te4As)2 ICSD 63174 P-3m1 (164) ✔ 15 78 2 0.0 0.027 0.089 (1;001) ✗ 30/01/17
Ba2CaCu2HgO6 ICSD 75729 P4/mmm (123) ✔ 12 100 2 0.0 0.003 0.988 (1;110) ✗ 05/01/17
HfAs2 ICSD 610636 Pnma (62) ✔ 12 88 3 0.0 0.011 0.111 (1;000) ✗ 30/01/17
Ba2CaOsO6 ICSD 171988 Fm-3m (225) ✔ 10 82 1 0.0 0.000 0.191 (0;000) ✗ 05/01/17
NiSbS ICSD 53936 P2_13 (198) ✗ 12 84 3 0.0 0.000 1.000 ? ✗ 06/10/16
Ba2Cd ICSD 30083 I4/mmm (139) ✔ 3 32 1 0.0 0.006 0.590 (0;111) ✗ 05/01/17
NbP ICSD 645167 I4_1md (109) ✗ 4 36 3 0.0 0.024 0.025 (1;100) ✔ 06/10/16
Ti2Ga3 ICSD 103995 P4/m (83) ✔ 10 126 3 0.0 0.000 0.704 (1;111) ✗ 06/10/16
Ba2CoReO6 ICSD 109254 Fm-3m (225) ✔ 10 88 3 0.0 0.000 0.418 (0;000) ✗ 05/01/17
Mg3Ge ICSD 70070 P-1 (2) ✔ 8 68 1 0.0 0.000 0.605 (0;000) ✗ 06/10/16
Ba2YTlCu2O7 ICSD 74163 P4/mmm (123) ✔ 13 108 2 0.0 0.009 0.963 (0;110) ✗ 05/01/17
Ba2Y(CuO2)3 COD 1001421 P4/mmm (123) ✔ 12 100 3 0.0 0.013 0.961 (1;000) ✗ 05/01/17
MnClO3 ICSD 416749 Ccm2_1 (36) ✗ 10 80 1 0.0 1.599 1.000 (0;000) ✔ 06/10/16
NbNiAs2 ICSD 38412 Pnma (62) ✔ 16 132 3 0.0 0.001 0.329 (0;011) ✗ 30/01/17
Ba2YCu3O7 COD 1008485 Pmmm (47) ✔ 13 106 3 0.0 0.004 0.965 (0;000) ✗ 05/01/17
Ba2YCu3O8 COD 2100804 P4/mmm (123) ✔ 14 112 3 0.0 0.006 0.979 (0;110) ✗ 05/01/17
RuC ICSD 43671 P-6m2 (187) ✗ 2 20 3 0.0 0.015 0.329 (0;000) ✔ 06/10/16
NbSe2 ICSD 16304 P6_3/mmc (194) ✔ 6 50 2 0.0 0.000 0.896 (0;100) ✔ 06/10/16
GeIr ICSD 52126 Pmnb (62) ✔ 8 52 3 0.0 0.001 0.568 (0;011) ✗ 06/10/16
As2Pd COD 9012346 Pa3 (205) ✔ 12 112 3 0.0 0.226 0.153 (0;000) ✗ 30/01/17
Sr(AsPt)2 ICSD 418156 P2_1/c (14) ✔ 20 160 3 0.0 0.001 0.827 (0;111) ✗ 30/01/17
Ba2TlCuO5 ICSD 66583 P4/mmm (123) ✔ 9 74 2 0.0 0.003 0.491 (1;110) ✗ 05/01/17
Ba2Fe2S2OF2 ICSD 249689 I4/mmm (139) ✔ 9 68 1 0.0 0.004 0.451 (0;000) ✗ 05/01/17
Ba2Fe2Se2OF2 ICSD 249687 I4/mmm (139) ✔ 9 68 1 0.0 0.004 0.487 (0;000) ✗ 05/01/17
Ba2Pd(OF)2 ICSD 98141 I4/mmm (139) ✔ 7 64 1 0.0 0.409 0.492 (0;000) ✗ 05/01/17
LaGe ICSD 413736 Ccmm (63) ✔ 8 28 3 0.0 0.028 0.459 (0;000) ✗ 06/10/16
Ba2NiF6 ICSD 21056 I4/mmm (139) ✔ 9 72 1 0.0 0.004 0.707 (0;000) ✗ 05/01/17
Ni2Ge ICSD 637346 P6_3/mmc (194) ✔ 6 48 3 0.0 0.005 0.733 (0;000) ✗ 06/10/16
Cr(ClO)2 ICSD 416750 P2_1 (4) ✗ 10 80 1 0.0 2.337 1.000 ? ✗ 06/10/16
Ba2Hg ICSD 30084 I4/mmm (139) ✔ 3 32 2 0.0 0.044 0.609 (0;111) ✗ 05/01/17
SiAs2 ICSD 24801 Pa3 (205) ✔ 12 56 3 0.0 0.371 0.357 (0;000) ✗ 30/01/17
Ba2YIrO6 ICSD 152679 Fm-3m (225) ✔ 10 84 3 0.0 0.346 0.323 (0;000) ✗ 05/01/17
Zr3As2 ICSD 611611 Pnma (62) ✔ 20 88 3 0.0 0.002 0.390 (1;000) ✗ 30/01/17
ZrAs2 ICSD 20292 Pnma (62) ✔ 12 56 3 0.0 0.028 0.054 (1;000) ✗ 30/01/17
Ba2Cd2As3 COD 7024287 C2/m (12) ✔ 14 118 1 0.0 0.032 0.018 (0;000) ✗ 30/01/17
Ba5As3 ICSD 43872 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.726 (0;000) ✗ 30/01/17
TlAs ICSD 184574 F-43m (216) ✗ 2 18 3 0.0 0.000 0.142 (1;000) ✔ 04/10/16
Ca5As3 ICSD 43877 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.557 (0;000) ✗ 30/01/17
CaFe5As3 COD 4338678 P2_1/m (11) ✔ 18 130 3 0.0 0.000 0.927 (1;000) ✗ 30/01/17
TaAs2 ICSD 107966 C2 (5) ✗ 6 46 3 0.0 0.011 0.322 (1;110) ✔ 04/10/16
P3Au2 ICSD 8058 C2/m (12) ✔ 10 74 3 0.0 0.089 0.119 (1;100) ✔ 04/10/16
CoAs3 COD 1011231 Im3 (204) ✔ 16 128 3 0.0 0.000 0.101 (1;000) ✗ 30/01/17
CrP4 ICSD 2790 C2/c (15) ✔ 10 68 2 0.0 0.022 0.114 (1;000) ✔ 27/01/17
TaSb2 ICSD 651600 C2/m (12) ✔ 6 46 3 0.0 0.098 0.168 (0;111) ✔ 27/01/17
Nb2O5 ICSD 51176 C2 (5) ✗ 7 56 3 0.0 0.431 0.107 (0;000) ✔ 06/10/16
SrNi5As3 ICSD 33915 Cmcm (63) ✔ 18 150 3 0.0 0.000 0.962 (0;110) ✗ 30/01/17
NiO ICSD 246910 R-3m (166) ✔ 2 16 3 0.0 0.000 0.631 (0;000) ✔ 06/10/16
As3Rh COD 9015095 Im3 (204) ✔ 16 128 3 0.0 0.000 0.038 (1;000) ✗ 30/01/17
GePd ICSD 659798 Pmnb (62) ✔ 8 56 3 0.0 0.023 0.396 (0;000) ✗ 06/10/16
Sr5As3 ICSD 44067 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.492 (0;000) ✗ 30/01/17
V4As3 COD 1527137 C2/m (12) ✔ 14 134 3 0.0 0.006 0.806 (0;000) ✗ 30/01/17
V5As3 ICSD 611571 I4/mcm (140) ✔ 16 160 3 0.0 0.001 0.532 (0;111) ✗ 30/01/17
Ba3(CdAs2)2 ICSD 424761 C2/m (12) ✔ 9 74 3 0.0 0.019 0.025 (0;110) ✗ 30/01/17
Ba2MnReO6 ICSD 109256 Fm-3m (225) ✔ 10 86 3 0.0 0.167 0.107 (0;000) ✗ 05/01/17
Ba3(ZnAs2)2 ICSD 424760 C2/m (12) ✔ 9 74 3 0.0 0.022 0.024 (0;110) ✗ 30/01/17
Ba(Cu2As)4 ICSD 66017 I4/m (87) ✔ 13 118 3 0.0 0.002 0.977 (1;111) ✗ 30/01/17
Ba2NiMoO6 ICSD 98192 Fm-3m (225) ✔ 10 80 3 0.0 0.000 0.784 (0;000) ✗ 05/01/17
Cu3As4 ICSD 41169 Immm (71) ✔ 14 106 2 0.0 0.006 0.964 (1;111) ✗ 30/01/17
GePt ICSD 2624 Pmnb (62) ✔ 8 56 3 0.0 0.038 0.320 (0;000) ✗ 06/10/16
GeTe7As4 ICSD 41107 P-3m1 (164) ✔ 12 66 2 0.0 0.012 0.072 (1;001) ✗ 30/01/17
CdPt ICSD 102052 P4/mmm (123) ✔ 2 22 3 0.0 0.008 0.525 (1;110) ✗ 27/01/17
HfGaCo ICSD 623085 P-62m (189) ✗ 9 102 3 0.0 0.000 0.782 ? ✗ 06/10/16
Re3As7 COD 1008117 Im-3m (229) ✔ 20 160 3 0.0 0.010 0.230 (1;000) ✗ 30/01/17
Ba2Ni3 ICSD 423734 P-3m1 (164) ✔ 5 50 2 0.0 0.000 0.618 (1;001) ✗ 05/01/17
GeRh ICSD 44861 Pmnb (62) ✔ 8 84 3 0.0 0.005 0.264 (0;011) ✗ 06/10/16
Mg2B2AsIr5 ICSD 609843 P4/mbm (127) ✔ 20 232 3 0.0 0.016 0.449 (1;001) ✗ 30/01/17
Ba2ScFeAsO3 ICSD 420654 P4/nmm (129) ✔ 16 124 1 0.0 0.012 0.409 (0;000) ✗ 30/01/17
Ba2As COD 9008352 I4/mmm (139) ✔ 6 50 1 0.0 0.017 0.368 (0;111) ✗ 30/01/17
ZrGaCo ICSD 623254 P-62m (189) ✗ 9 78 3 0.0 0.000 0.725 ? ✗ 06/10/16
Ba2NiWO6 ICSD 28342 Fm-3m (225) ✔ 10 80 3 0.0 0.000 0.684 (0;000) ✗ 05/01/17
MnBiAsO5 ICSD 59721 P-1 (2) ✔ 16 130 3 0.0 0.013 0.174 (1;101) ✗ 30/01/17
NiBiAsO5 COD 9005468 P-1 (2) ✔ 16 120 3 0.0 0.024 0.333 (0;011) ✗ 30/01/17
Ba2PdO3 COD 1000071 Immm (71) ✔ 6 56 1 0.0 0.488 0.043 (0;000) ✗ 05/01/17
CoSbS ICSD 40044 Pmn2_1 (31) ✗ 6 40 3 0.0 0.367 0.147 (0;000) ✔ 06/10/16
Mg(Co3P2)2 ICSD 94412 P-6m2 (187) ✗ 11 84 3 0.0 0.000 0.225 ? ✗ 06/10/16
Ba2YReO6 ICSD 168216 Fm-3m (225) ✔ 10 82 3 0.0 0.000 0.444 (0;000) ✗ 05/01/17
Zn3CrSe4 ICSD 186188 P-43m (215) ✗ 8 74 3 0.0 0.045 0.111 (0;000) ✔ 06/10/16
NaCdAs COD 7222182 Pnma (62) ✔ 12 104 3 0.0 0.018 0.009 (1;000) ✗ 30/01/17
AsPb2Cl2O3 COD 9007762 P2_1/m (11) ✔ 16 130 2 0.0 0.000 0.849 (0;001) ✗ 30/01/17
Ba2ScSbO6 ICSD 33623 Fm-3m (225) ✔ 10 72 3 0.0 0.011 0.553 (1;000) ✗ 05/01/17
ScGe ICSD 42947 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.729 (0;110) ✗ 06/10/16
Co2AsClO4 ICSD 902 P2_1/m (11) ✔ 16 140 3 0.0 0.014 0.656 (1;011) ✗ 30/01/17
Cu2AsClO4 ICSD 901 P2_1/m (11) ✔ 16 116 3 0.0 0.016 0.602 (0;000) ✗ 30/01/17
Zn3CrTe4 ICSD 186189 P-43m (215) ✗ 8 74 3 0.0 0.019 0.140 (0;000) ✔ 06/10/16
Nb2CrSe4 ICSD 23476 Cm (8) ✗ 7 64 3 0.0 0.009 0.331 (0;000) ✔ 06/10/16
Sr2CrFeAsO3 ICSD 180529 P4/nmm (129) ✔ 16 130 1 0.0 0.000 0.894 (1;001) ✗ 30/01/17
Ba2YSbO6 ICSD 33624 Fm-3m (225) ✔ 10 72 3 0.0 0.003 0.627 (1;000) ✗ 05/01/17
CuAsF7 ICSD 413972 Imma (74) ✔ 18 130 3 0.0 0.003 0.094 (1;110) ✗ 30/01/17
CrPS4 ICSD 937 C2 (5) ✗ 12 86 2 0.0 0.006 0.359 (0;100) ✔ 05/12/16
CrSiTe3 ICSD 62379 R3 (146) ✗ 10 72 2 0.0 0.017 0.103 (1;111) ✔ 06/10/16
CuAsS COD 2217766 Pnma (62) ✔ 12 88 3 0.0 0.137 0.077 (0;000) ✗ 30/01/17
Ba2Zn ICSD 616175 I4/mmm (139) ✔ 3 32 1 0.0 0.006 0.537 (0;111) ✗ 05/01/17
As(IF3)2 ICSD 63300 C2/m (12) ✔ 18 122 2 0.0 0.064 0.123 (0;001) ✗ 30/01/17
SrGe ICSD 43099 Cmcm (63) ✔ 4 28 1 0.0 0.034 0.168 (0;110) ✗ 06/10/16
Ba3PbO COD 1525464 Pm-3m (221) ✔ 5 50 1 0.0 0.013 0.080 (0;000) ✗ 05/01/17
Ba3SnO COD 1525465 Pm-3m (221) ✔ 5 50 1 0.0 0.005 0.098 (1;000) ✗ 05/01/17
Sr2ScFeAsO3 ICSD 180528 P4/nmm (129) ✔ 16 124 1 0.0 0.016 0.426 (0;000) ✗ 30/01/17
Ba(MgBi)2 COD 7221204 P-3m1 (164) ✔ 5 60 2 0.0 0.010 0.011 (0;000) ✗ 05/01/17
BaCuBi COD 1527798 P6_3/mmc (194) ✔ 6 72 2 0.0 0.003 0.179 (1;000) ✗ 05/01/17
MoAs2 ICSD 16820 C2 (5) ✗ 6 48 3 0.0 0.044 0.308 (0;000) ✔ 06/10/16
NiS ICSD 42493 P6_3mc (186) ✗ 4 32 0 0.0 0.001 0.296 (0;000) ✔ 06/10/16
KNiAsO4 ICSD 63544 R-3 (148) ✔ 14 96 1 0.0 0.007 0.061 (0;000) ✗ 30/01/17
GeTe ICSD 638005 Pnma (62) ✔ 8 40 2 0.0 0.104 0.027 (0;000) ✗ 02/02/17
CuGeO3 ICSD 16834 Pmcm (51) ✔ 10 66 3 0.0 0.000 0.683 (1;010) ✗ 06/10/16
HfCuSn ICSD 190121 P6_3mc (186) ✗ 6 74 3 0.0 0.000 0.548 (1;001) ✔ 05/12/16
BaCa(FeO2)4 COD 1008057 P-31m (162) ✔ 14 100 2 0.0 0.000 0.787 (0;001) ✗ 05/01/17
Ti3Ge ICSD 189707 Fm-3m (225) ✔ 4 40 3 0.0 0.000 0.753 (1;000) ✗ 06/10/16
Ba(CdGe)2 ICSD 174263 I4/mmm (139) ✔ 5 42 3 0.0 0.038 0.327 (1;111) ✗ 05/01/17
BaCd2 ICSD 58643 Imma (74) ✔ 6 68 3 0.0 0.042 0.486 (1;111) ✗ 05/01/17
Nb3Te3As ICSD 79934 P6_3/m (176) ✔ 14 124 3 0.0 0.009 0.369 (0;000) ✗ 30/01/17
NiSb2 ICSD 646409 P2nn (34) ✗ 6 40 3 0.0 0.012 0.493 (1;000) ✔ 06/10/16
Zn2AsO5 COD 9000767 P-1 (2) ✔ 16 118 3 0.0 0.004 0.285 (1;111) ✗ 30/01/17
YAsPt ICSD 44047 P6_3/mmc (194) ✔ 12 104 3 0.0 0.006 0.460 (0;000) ✗ 30/01/17
Rb3As ICSD 25551 P6_3/mmc (194) ✔ 8 64 1 0.0 0.029 0.050 (0;000) ✗ 30/01/17
YGe ICSD 42948 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.739 (0;110) ✗ 06/10/16
YMgCu ICSD 163695 P-62m (189) ✗ 9 96 3 0.0 0.000 0.899 ? ✗ 06/10/16
Zr5Sb3As ICSD 611352 P6_3/mcm (193) ✔ 18 80 3 0.0 0.005 0.819 (0;000) ✗ 30/01/17
YAsSe ICSD 611398 Pnma (62) ✔ 12 88 3 0.0 0.067 0.005 (0;000) ✗ 30/01/17
Zr5Sn3As ICSD 656301 P6_3/mcm (193) ✔ 18 134 3 0.0 0.000 0.638 (0;000) ✗ 30/01/17
BaCdGe COD 1527799 P6_3/mmc (194) ✔ 6 52 2 0.0 0.002 0.190 (1;000) ✗ 05/01/17
BaCd ICSD 615805 Pm-3m (221) ✔ 2 22 1 0.0 0.000 0.663 (1;000) ✗ 05/01/17
KAu2 COD 2018869 P6_3/mmc (194) ✔ 12 124 3 0.0 0.003 0.754 (0;000) ✗ 30/01/17
ZrGe ICSD 638153 Pmnb (62) ✔ 8 64 3 0.0 0.018 0.088 (1;000) ✗ 06/10/16
Ba3Au2 ICSD 611635 R-3 (148) ✔ 15 156 2 0.0 0.001 0.562 (0;111) ✗ 30/01/17
Ba(CoGe)2 ICSD 420975 I4/mmm (139) ✔ 5 52 2 0.0 0.001 0.560 (1;000) ✗ 05/01/17
BaCo2(PO4)2 ICSD 250709 P-3 (147) ✔ 13 102 2 0.0 0.025 0.281 (0;000) ✗ 05/01/17
Ba(SbAu)2 ICSD 416298 P2_1/m (11) ✔ 10 84 3 0.0 0.024 0.423 (1;000) ✗ 30/01/17
Ba(SnAu)2 COD 4338536 P4/nmm (129) ✔ 10 120 3 0.0 0.012 0.854 (0;000) ✗ 30/01/17
Ca2PbAu2 COD 8100914 P4/mbm (127) ✔ 10 112 3 0.0 0.021 0.638 (1;000) ✗ 30/01/17
Sr(GaAu)2 ICSD 370004 P4/nmm (129) ✔ 10 116 3 0.0 0.065 0.842 (0;000) ✗ 30/01/17
Hf2InAu2 ICSD 130042 P4/mbm (127) ✔ 10 118 3 0.0 0.000 0.997 (1;001) ✗ 30/01/17
Sc2InAu2 ICSD 130040 P4/mbm (127) ✔ 10 114 3 0.0 0.000 0.990 (1;001) ✗ 30/01/17
Y2InAu2 ICSD 658835 P4/mbm (127) ✔ 10 114 3 0.0 0.000 0.949 (0;001) ✗ 30/01/17
Zr2InAu2 ICSD 130041 P4/mbm (127) ✔ 10 86 3 0.0 0.000 0.983 (1;001) ✗ 30/01/17
NiSe ICSD 42596 R3m (160) ✗ 6 48 3 0.0 0.000 0.474 (1;000) ✔ 06/10/16
P2PbAu2 COD 1510454 Cmcm (63) ✔ 10 92 3 0.0 0.049 0.610 (0;000) ✗ 30/01/17
Sc2SnAu2 ICSD 130046 P4/mbm (127) ✔ 10 116 3 0.0 0.005 0.892 (0;001) ✗ 30/01/17
Sr(SnAu)2 ICSD 427711 P4/nmm (129) ✔ 10 120 3 0.0 0.020 0.869 (1;000) ✗ 30/01/17
Sr3Au2 COD 1510468 R-3 (148) ✔ 15 156 1 0.0 0.005 0.428 (0;000) ✗ 30/01/17
Y3Au2 COD 2018283 P4/mbm (127) ✔ 10 110 3 0.0 0.000 0.922 (0;001) ✗ 30/01/17
SrGeAu3 COD 4117647 P4/nmm (129) ✔ 10 94 3 0.0 0.000 0.813 (1;000) ✗ 30/01/17
Sr(InAu)3 ICSD 245679 Pmmn (59) ✔ 14 164 3 0.0 0.014 0.721 (1;000) ✗ 30/01/17
HfGe2 ICSD 16698 Cmcm (63) ✔ 6 40 3 0.0 0.016 0.222 (1;000) ✗ 06/10/16
Na2LiAu3 ICSD 152090 P6_3/mmc (194) ✔ 12 108 3 0.0 0.029 0.398 (1;000) ✗ 30/01/17
Rb2TlAu3 COD 4302645 Pmma (51) ✔ 12 128 3 0.0 0.089 0.281 (1;000) ✗ 30/01/17
YCuPb ICSD 107004 P6_3mc (186) ✗ 6 72 3 0.0 0.008 0.229 ? ✗ 06/10/16
Ca3Au4 ICSD 54547 R-3 (148) ✔ 14 148 3 0.0 0.001 0.290 (1;000) ✗ 30/01/17
K(InAu2)2 COD 4110908 I4/mcm (140) ✔ 14 158 3 0.0 0.000 0.562 (1;000) ✗ 30/01/17
Rb(InAu2)2 COD 4110909 I4/mcm (140) ✔ 14 158 3 0.0 0.000 0.463 (0;101) ✗ 30/01/17
Rb3Au7 COD 1510588 Cmmm (65) ✔ 10 104 3 0.0 0.047 0.290 (0;110) ✗ 30/01/17
Rb3Au7 COD 7209422 Cmmm (65) ✔ 10 104 3 0.0 0.045 0.348 (1;111) ✗ 30/01/17
BaCoS2 COD 1005029 P4/nmm (129) ✔ 8 78 2 0.0 0.000 0.774 (1;000) ✗ 05/01/17
BaAu COD 1510584 Pnma (62) ✔ 8 84 3 0.0 0.005 0.453 (1;011) ✗ 30/01/17
BaCrF6 COD 1525278 R-3m (166) ✔ 8 66 1 0.0 0.000 0.174 (0;000) ✗ 05/01/17
BaCrS2 COD 4321901 Pmmn (59) ✔ 8 72 2 0.0 0.013 0.275 (0;000) ✗ 05/01/17
Ge2Pt ICSD 43684 Pnnm (58) ✔ 6 36 3 0.0 0.028 0.179 (0;000) ✗ 27/01/17
ScSiCu ICSD 629022 P-62m (189) ✗ 9 78 3 0.0 0.007 0.234 ? ✗ 06/10/16
ScSiCu ICSD 86392 P-62m (189) ✗ 9 78 3 0.0 0.005 0.238 ? ✗ 06/10/16
TiNi ICSD 105414 P2_1/m (11) ✔ 4 44 3 0.0 0.025 0.763 (1;100) ✔ 06/10/16
ScGe2 ICSD 637830 Cmcm (63) ✔ 6 38 3 0.0 0.000 0.822 (0;000) ✗ 06/10/16
CaCdAu ICSD 420574 Pnma (62) ✔ 12 132 3 0.0 0.008 0.781 (0;011) ✗ 30/01/17
CaGaAu COD 1510615 Pnma (62) ✔ 12 136 3 0.0 0.039 0.506 (1;000) ✗ 30/01/17
CaInAu COD 1510059 Pnma (62) ✔ 12 136 3 0.0 0.047 0.535 (1;000) ✗ 30/01/17
ScCuSn ICSD 416543 P6_3mc (186) ✗ 6 72 0 0.0 0.010 0.225 (1;000) ✔ 28/10/16
SrCdAu ICSD 426612 Pnma (62) ✔ 12 132 3 0.0 0.008 0.779 (0;011) ✗ 30/01/17
BaCuP ICSD 52684 P6_3/mmc (194) ✔ 6 52 3 0.0 0.374 0.167 (0;000) ✗ 05/01/17
TiCuSn ICSD 54657 P6_3mc (186) ✗ 6 74 3 0.0 0.000 0.569 ? ✗ 06/10/16
BaCuSb ICSD 57020 P6_3/mmc (194) ✔ 6 52 2 0.0 0.123 0.162 (0;000) ✗ 05/01/17
TiGe2 ICSD 638050 Fddd (70) ✔ 6 40 3 0.0 0.011 0.439 (1;000) ✗ 06/10/16
YCuSn ICSD 416544 P2_1 (4) ✗ 6 72 0 0.0 0.004 0.222 (0;000) ✔ 06/10/16
Cu2GeS3 ICSD 627779 Im2m (44) ✗ 6 44 3 0.0 0.027 0.144 (0;101) ✔ 06/10/16
TiSe2 ICSD 108739 P-3m1 (164) ✔ 3 24 2 0.0 0.000 0.275 (1;000) ✔ 04/10/16
Te2AuCl COD 1510090 Cmcm (63) ✔ 8 60 2 0.0 0.013 0.259 (1;110) ✗ 30/01/17
VO2 ICSD 89471 P2/m (10) ✔ 6 50 3 0.0 0.011 0.940 (0;010) ✔ 06/10/16
ZnNi ICSD 105472 F-43m (216) ✗ 2 22 3 0.0 0.043 0.357 (0;000) ✔ 06/10/16
ZrGe2 ICSD 16696 Cmcm (63) ✔ 6 40 3 0.0 0.014 0.240 (1;110) ✗ 06/10/16
Cu2GeSe3 ICSD 160386 Im2m (44) ✗ 6 44 3 0.0 0.021 0.176 (1;010) ✔ 06/10/16
NiI2 COD 9009133 R-3m (166) ✔ 3 24 2 0.0 0.071 0.554 (0;000) ✗ 30/01/17
ZrGe2 ICSD 56054 Ccmm (63) ✔ 6 40 3 0.0 0.008 0.234 (1;000) ✗ 06/10/16
Cu2GeSe3 ICSD 192171 Cc (9) ✗ 12 88 3 0.0 0.089 0.019 (0;000) ✔ 06/10/16
ZnI2 ICSD 48016 P6/mmm (191) ✔ 3 26 3 0.0 0.089 0.339 (0;000) ✗ 30/01/17
BaFe2(PO4)2 ICSD 237763 P-1 (2) ✔ 13 84 2 0.0 0.011 0.134 (0;001) ✗ 05/01/17
Cu2GeSe3 ICSD 70056 Im2m (44) ✗ 6 44 3 0.0 0.017 0.159 (0;000) ✔ 06/10/16
Ba(FeP)2 COD 7221161 I4/mmm (139) ✔ 5 36 2 0.0 0.005 0.524 (1;111) ✗ 05/01/17
Ba(FeS2)2 ICSD 23081 I4/m (87) ✔ 7 50 1 0.0 0.002 0.245 (0;111) ✗ 05/01/17
YGe3 ICSD 88075 Cmcm (63) ✔ 8 46 3 0.0 0.000 0.736 (0;000) ✗ 27/01/17
Cu2GeTe3 ICSD 151872 Im2m (44) ✗ 6 44 3 0.0 0.008 0.217 (1;010) ✔ 06/10/16
BaFeO3 ICSD 262131 Pm-3m (221) ✔ 5 36 3 0.0 0.000 0.821 (1;000) ✗ 05/01/17
BaMnPF COD 7203816 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.850 (0;001) ✗ 05/01/17
NaIO2 COD 1010624 I4_1/amd (141) ✔ 8 56 3 0.0 0.021 0.110 (1;111) ✗ 30/01/17
NaIO3 COD 9016104 Cmmm (65) ✔ 5 34 3 0.0 0.018 0.496 (0;111) ✗ 30/01/17
NaIO4 COD 1010016 I4_1/a (88) ✔ 12 80 3 0.0 0.014 0.493 (1;111) ✗ 30/01/17
InCuSe2 ICSD 250247 P1 (1) ✗ 8 72 3 0.0 0.016 0.025 (1;000) ✔ 06/10/16
NaPb2IO6 ICSD 427115 Fm-3m (225) ✔ 10 80 3 0.0 0.000 0.155 (0;000) ✗ 30/01/17
BaMnSbF ICSD 248366 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.872 (0;000) ✗ 05/01/17
Ti2H ICSD 168323 Pn-3m (224) ✔ 6 50 3 0.0 0.000 0.818 (1;000) ✗ 06/10/16
IN COD 9014835 Fm-3m (225) ✔ 2 12 1 0.0 0.034 0.639 (0;000) ✗ 30/01/17
IN COD 9015547 Pm-3m (221) ✔ 2 12 1 0.0 0.005 0.477 (1;111) ✗ 30/01/17
InPd3 ICSD 247188 I4/mmm (139) ✔ 8 134 3 0.0 0.039 0.307 (1;000) ✗ 30/01/17
Sr2IN COD 1528373 R-3m (166) ✔ 4 32 2 0.0 0.003 0.437 (1;000) ✗ 30/01/17
SiCu2S3 ICSD 24132 Cm (8) ✗ 12 88 3 0.0 0.014 0.457 ? ✗ 06/10/16
BaZnSbF COD 7203813 P4/nmm (129) ✔ 8 68 1 0.0 0.028 0.046 (0;000) ✗ 05/01/17
BaGa2 ICSD 58649 P6/mmm (191) ✔ 3 36 2 0.0 0.013 0.482 (1;000) ✗ 05/01/17
RbIO3 COD 5910051 Pm-3m (221) ✔ 5 34 3 0.0 0.017 0.103 (1;111) ✗ 30/01/17
BaGa4 ICSD 615865 I4/mmm (139) ✔ 5 62 3 0.0 0.016 0.239 (1;000) ✗ 05/01/17
BaLi2(MgGe)2 COD 8101153 R-3m (166) ✔ 7 44 1 0.0 0.117 0.220 (0;000) ✗ 05/01/17
Ni3Se4 ICSD 42558 C2/m (12) ✔ 7 54 3 0.0 0.040 0.597 (0;000) ✔ 06/10/16
Y3H2 ICSD 152861 P6_3/mmc (194) ✔ 10 70 3 0.0 0.000 0.932 (0;000) ✗ 06/10/16
Ba(MgGe)2 ICSD 25312 I4/mmm (139) ✔ 5 38 3 0.0 0.014 0.260 (1;111) ✗ 05/01/17
Ba(MnGe)2 ICSD 404 I4/mmm (139) ✔ 5 48 3 0.0 0.001 0.733 (0;000) ✗ 05/01/17
BaGe2 COD 7221343 I4_1/amd (141) ✔ 6 36 3 0.0 0.005 0.182 (1;111) ✗ 05/01/17
Ba(GeRh)2 ICSD 77146 I4/mmm (139) ✔ 5 52 2 0.0 0.009 0.573 (1;000) ✗ 05/01/17
HBr ICSD 28842 Fmmm (69) ✔ 2 8 1 0.0 0.014 0.282 (0;000) ✗ 06/10/16
Cu2SnSe3 ICSD 247698 Cc (9) ✗ 12 108 3 0.0 0.006 0.171 (1;000) ✔ 05/12/16
BaMg4Ge3 COD 4322260 P4/mmm (123) ✔ 8 62 3 0.0 0.005 0.308 (0;001) ✗ 05/01/17
BaGe ICSD 659524 Cmcm (63) ✔ 4 28 1 0.0 0.013 0.141 (0;110) ✗ 05/01/17
CuAuSe4 COD 4331413 P2_1/m (11) ✔ 12 92 3 0.0 0.639 0.074 (0;000) ✗ 02/02/17
Cu2SnTe3 ICSD 160882 Im2m (44) ✗ 6 54 3 0.0 0.046 0.170 (1;000) ✔ 06/10/16
BaMgGe COD 9008328 P4/nmm (129) ✔ 6 48 1 0.0 0.001 0.176 (1;001) ✗ 05/01/17
BaMnGe ICSD 615891 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.816 (0;000) ✗ 05/01/17
HCl ICSD 28844 Fmmm (69) ✔ 2 8 1 0.0 0.033 0.154 (1;000) ✗ 06/10/16
NaCu3Te2 ICSD 60860 R3m (160) ✗ 6 54 1 0.0 0.052 0.021 (0;111) ✔ 06/10/16
BaMnGe COD 9008362 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.812 (0;001) ✗ 05/01/17
BaNi2Ge ICSD 421431 Pmmn (59) ✔ 8 68 3 0.0 0.035 0.272 (0;010) ✗ 05/01/17
BaZnGe COD 1527801 P6_3/mmc (194) ✔ 6 52 2 0.0 0.018 0.282 (0;000) ✗ 05/01/17
SrInAu ICSD 391422 Pnma (62) ✔ 12 136 3 0.0 0.069 0.359 (1;000) ✗ 02/02/17
TiH ICSD 168325 P4_2/mmc (131) ✔ 4 26 3 0.0 0.000 0.512 (0;011) ✗ 06/10/16
Te2AuI COD 1510184 Pmma (51) ✔ 8 60 3 0.0 0.059 0.239 (1;010) ✗ 02/02/17
BaLiH3 ICSD 23977 Pm-3m (221) ✔ 5 16 3 0.0 0.003 0.111 (0;111) ✗ 05/01/17
SnO ICSD 20624 P2_1mn (31) ✗ 4 40 3 0.0 0.237 0.107 (0;000) ✔ 06/10/16
ZrH ICSD 169451 P4_2/mmc (131) ✔ 4 26 3 0.0 0.000 0.564 (0;011) ✗ 06/10/16
HfH2 ICSD 24721 I4/mmm (139) ✔ 3 14 3 0.0 0.155 0.144 (0;000) ✗ 27/01/17
BaHg2 ICSD 58655 Imma (74) ✔ 6 68 3 0.0 0.037 0.399 (0;111) ✗ 05/01/17
BaHg ICSD 58654 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.616 (1;000) ✗ 05/01/17
K3Sn4Au ICSD 107444 Pmmn (59) ✔ 16 188 1 0.0 0.012 0.223 (1;000) ✗ 02/02/17
BaSnHg COD 1527795 P6_3/mmc (194) ✔ 6 72 2 0.0 0.015 0.153 (1;000) ✗ 05/01/17
Ba ICSD 109028 I4/mcm (140) ✔ 4 40 1 0.0 0.002 0.515 (0;000) ✗ 05/01/17
Ba ICSD 109031 P4/mmm (123) ✔ 1 10 1 0.0 0.004 0.524 (0;000) ✗ 05/01/17
Li2Sn2Au ICSD 192982 I4_1/amd (141) ✔ 10 90 3 0.0 0.000 0.914 (1;111) ✗ 02/02/17
Ba ICSD 52679 Fm-3m (225) ✔ 1 10 1 0.0 0.077 0.167 (0;000) ✗ 02/02/17
BaIn4 ICSD 414230 I4/mmm (139) ✔ 5 62 3 0.0 0.003 0.201 (1;000) ✗ 05/01/17
ZrH2 ICSD 24624 I4/mmm (139) ✔ 3 14 3 0.0 0.045 0.153 (0;000) ✗ 06/10/16
Ba(PIr)2 COD 1531850 I4/mmm (139) ✔ 5 54 2 0.0 0.022 0.646 (0;000) ✗ 05/01/17
Mg2Au COD 1510233 Pnma (62) ✔ 12 124 3 0.0 0.002 0.777 (0;011) ✗ 02/02/17
BaLi2(MgSi)2 COD 8101152 R-3m (166) ✔ 7 44 1 0.0 0.311 0.196 (0;000) ✗ 05/01/17
BaLi2Si COD 7221325 Pmmn (59) ✔ 8 40 1 0.0 0.011 0.141 (0;000) ✗ 05/01/17
YH3 ICSD 180317 Cmcm (63) ✔ 8 28 3 0.0 0.036 0.026 (1;000) ✗ 06/10/16
Na4TlAu ICSD 107428 Fmmm (69) ✔ 12 120 1 0.0 0.010 0.653 (0;000) ✗ 02/02/17
GeH4 ICSD 183081 Cmmm (65) ✔ 5 8 3 0.0 0.030 0.655 (1;110) ✗ 06/10/16
NaSnAu COD 1510245 Pnma (62) ✔ 12 136 3 0.0 0.005 0.359 (1;000) ✗ 02/02/17
RbAuO COD 8101135 I4/mmm (139) ✔ 12 104 0 0.0 0.004 0.611 (1;000) ✗ 02/02/17
Rb3Pb4Au ICSD 107447 Pmmn (59) ✔ 16 188 1 0.0 0.026 0.367 (1;000) ✗ 02/02/17
HfIr ICSD 185633 Pmmb (51) ✔ 4 42 3 0.0 0.000 0.688 (1;100) ✗ 06/10/16
Ba(MgSi)2 ICSD 25311 I4/mmm (139) ✔ 5 38 3 0.0 0.011 0.286 (0;000) ✗ 05/01/17
BaMg4Si3 COD 4322259 P4/mmm (123) ✔ 8 62 3 0.0 0.006 0.336 (1;000) ✗ 05/01/17
Rb3Sn4Au ICSD 107445 Pmmn (59) ✔ 16 188 1 0.0 0.027 0.226 (1;000) ✗ 02/02/17
BaMgPb ICSD 615958 P4/nmm (129) ✔ 6 68 2 0.0 0.050 0.433 (0;000) ✗ 05/01/17
Sb2Au COD 9016730 Pa3 (205) ✔ 12 84 3 0.0 0.000 0.781 (1;111) ✗ 02/02/17
Y2Au COD 2018284 Pnma (62) ✔ 12 132 3 0.0 0.002 0.595 (0;011) ✗ 02/02/17
Ba(NiB)2 ICSD 612536 Pnnm (58) ✔ 20 144 3 0.0 0.031 0.585 (0;000) ✗ 02/02/17
BaMgSi COD 9008329 P4/nmm (129) ✔ 6 48 1 0.0 0.008 0.169 (1;001) ✗ 05/01/17
Mg2BeB2Ir5 ICSD 612551 P4/mbm (127) ✔ 20 230 3 0.0 0.000 0.959 (0;001) ✗ 02/02/17
BaMgSn ICSD 615965 P4/nmm (129) ✔ 6 68 2 0.0 0.017 0.529 (0;000) ✗ 05/01/17
BaMn2O3 COD 2002227 Immm (71) ✔ 6 58 3 0.0 0.018 0.450 (0;000) ✗ 05/01/17
Y3Co13B2 ICSD 247994 P6/mmm (191) ✔ 18 260 3 0.0 0.000 0.854 (0;001) ✗ 02/02/17
Ta3Co5B2 ICSD 613327 P4/mbm (127) ✔ 20 260 3 0.0 0.000 0.983 (1;001) ✗ 02/02/17
Mg2CoB2Ir5 ICSD 613129 P4/mbm (127) ✔ 20 256 3 0.0 0.003 0.866 (1;001) ✗ 02/02/17
Mg2CrB2Ir5 ICSD 613516 P4/mbm (127) ✔ 20 250 3 0.0 0.000 0.927 (1;001) ✗ 02/02/17
Mg2CuB2Ir5 ICSD 613589 P4/mbm (127) ✔ 20 244 3 0.0 0.006 0.884 (1;000) ✗ 02/02/17
Mg2FeB2Ir5 ICSD 613990 P4/mbm (127) ✔ 20 238 3 0.0 0.000 0.958 (1;001) ✗ 02/02/17
Mg2GaB2Ir5 ICSD 614301 P4/mbm (127) ✔ 20 248 3 0.0 0.008 0.854 (1;000) ✗ 02/02/17
Sc2GaB2Rh5 ICSD 51438 P4/mbm (127) ✔ 20 252 3 0.0 0.001 0.399 (0;000) ✗ 02/02/17
Mg2GeB2Ir5 ICSD 614395 P4/mbm (127) ✔ 20 230 3 0.0 0.000 0.983 (0;001) ✗ 02/02/17
Mg2GeB2Rh5 ICSD 51432 P4/mbm (127) ✔ 20 230 3 0.0 0.000 0.993 (0;000) ✗ 02/02/17
Hf3B2Ir5 COD 1510712 P4/mbm (127) ✔ 20 254 3 0.0 0.000 0.996 (0;001) ✗ 02/02/17
Mg2MnB2Ir5 ICSD 614533 P4/mbm (127) ✔ 20 252 3 0.0 0.008 0.801 (1;000) ✗ 02/02/17
Mg2NiB2Ir5 ICSD 614534 P4/mbm (127) ✔ 20 242 3 0.0 0.000 0.958 (0;001) ✗ 02/02/17
Mg2SiB2Ir5 ICSD 69487 P4/mbm (127) ✔ 20 230 3 0.0 0.000 0.986 (0;111) ✗ 02/02/17
Mg2TiB2Ir5 ICSD 614537 P4/mbm (127) ✔ 20 246 3 0.0 0.000 0.955 (1;111) ✗ 02/02/17
Mg2VB2Ir5 ICSD 614538 P4/mbm (127) ✔ 20 248 3 0.0 0.011 0.610 (0;000) ✗ 02/02/17
Mg2ZnB2Ir5 ICSD 614539 P4/mbm (127) ✔ 20 246 3 0.0 0.000 0.983 (0;001) ✗ 02/02/17
Sc2SiB2Ir5 ICSD 85629 P4/mbm (127) ✔ 20 234 3 0.0 0.000 0.906 (1;000) ✗ 02/02/17
B2Mo2Ir COD 1510720 Pnnm (58) ✔ 20 204 3 0.0 0.003 0.624 (1;000) ✗ 02/02/17
V2B2Ir ICSD 601555 Pnnm (58) ✔ 20 196 3 0.0 0.005 0.489 (0;000) ✗ 02/02/17
HfNi ICSD 638689 Cmcm (63) ✔ 4 44 3 0.0 0.060 0.384 (1;000) ✗ 27/01/17
Ba(MnP)2 COD 7221162 I4/mmm (139) ✔ 5 50 2 0.0 0.007 0.827 (0;111) ✗ 05/01/17
B2Mo2Os ICSD 614829 Pnnm (58) ✔ 20 200 3 0.0 0.014 0.834 (0;000) ✗ 02/02/17
B2Mo2Ru ICSD 601573 Pnnm (58) ✔ 20 200 3 0.0 0.017 0.783 (0;000) ✗ 02/02/17
Nb2B2Os ICSD 425655 P4/mnc (128) ✔ 20 192 3 0.0 0.005 0.534 (0;000) ✗ 02/02/17
Nb3B2Ru5 ICSD 423469 P4/mbm (127) ✔ 20 250 3 0.0 0.000 0.993 (0;111) ✗ 02/02/17
Sr(NiB)2 ICSD 615019 Pnnm (58) ✔ 20 144 3 0.0 0.016 0.540 (0;000) ✗ 02/02/17
Ta2B2Os ICSD 429117 P4/mnc (128) ✔ 20 192 3 0.0 0.006 0.527 (0;000) ✗ 02/02/17
Ta3B2Ru5 ICSD 427424 P4/mbm (127) ✔ 20 250 3 0.0 0.000 0.989 (0;111) ✗ 02/02/17
Ba(MnSb)2 ICSD 32019 I4/mmm (139) ✔ 5 50 2 0.0 0.002 0.868 (0;111) ✗ 05/01/17
Ba(MnSn)2 ICSD 58661 I4/mmm (139) ✔ 5 68 3 0.0 0.003 0.733 (0;000) ✗ 05/01/17
BaMnO3 COD 1524992 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.345 (0;000) ✗ 05/01/17
HfPd ICSD 185631 Ccmm (63) ✔ 4 44 3 0.0 0.024 0.295 (1;000) ✗ 06/10/16
Y(BIr)4 ICSD 614580 P4_2/n (86) ✔ 18 182 3 0.0 0.000 0.842 (1;111) ✗ 02/02/17
BaMoO3 ICSD 43799 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.771 (0;000) ✗ 05/01/17
Y(ReB)4 ICSD 615286 P4_2/nmc (137) ✔ 18 166 3 0.0 0.000 0.907 (0;000) ✗ 02/02/17
Y(BRh)4 COD 1511508 P4_2/nmc (137) ✔ 18 182 3 0.0 0.000 0.889 (0;000) ✗ 02/02/17
Zn5(BRh2)4 ICSD 417990 Cmmm (65) ✔ 17 208 3 0.0 0.007 0.874 (1;000) ✗ 02/02/17
YB4 COD 8103481 P4/mbm (127) ✔ 20 92 3 0.0 0.002 0.218 (1;001) ✗ 02/02/17
Ba(Ni2B)6 COD 8103483 R-3m (166) ✔ 19 148 3 0.0 0.000 0.748 (1;111) ✗ 02/02/17
Ca3(B3Rh4)2 COD 1511571 Fmmm (69) ✔ 17 184 3 0.0 0.015 0.685 (1;000) ✗ 02/02/17
Sr3(B3Rh4)2 COD 1511642 Fmmm (69) ✔ 17 184 3 0.0 0.006 0.684 (0;000) ✗ 02/02/17
Ba2Mn2Bi2O ICSD 16361 P6_3/mmc (194) ✔ 14 172 2 0.0 0.002 0.876 (1;000) ✗ 02/02/17
BaMo(PO4)2 COD 1001653 C2/m (12) ✔ 12 82 2 0.0 0.057 0.693 (0;000) ✗ 05/01/17
Ba2ZnBi2 COD 4315627 Ibam (72) ✔ 10 124 1 0.0 0.008 0.301 (0;000) ✗ 02/02/17
BaN2 COD 4327589 C2/c (15) ✔ 6 40 1 0.0 0.022 0.618 (0;000) ✗ 05/01/17
CrS2 ICSD 75420 C2/m (12) ✔ 3 26 2 0.0 0.051 0.157 (0;100) ✔ 04/10/16
ZrTe ICSD 410867 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.093 (1;100) ✔ 04/10/16
Ba2Cd2Sb3 COD 7024288 C2/m (12) ✔ 14 118 1 0.0 0.020 0.063 (1;110) ✗ 02/02/17
IrC2 ICSD 181488 C2/m (12) ✔ 6 34 3 0.0 0.078 0.242 (0;000) ✔ 06/10/16
HfPd5 ICSD 168289 Cmmm (65) ✔ 6 62 2 0.0 0.001 0.683 (1;111) ✗ 06/10/16
CsBa2Cr2F11 ICSD 167093 I4/mmm (139) ✔ 16 134 1 0.0 0.001 0.756 (1;000) ✗ 02/02/17
HfPt ICSD 638781 Cmcm (63) ✔ 4 44 3 0.0 0.014 0.435 (0;000) ✗ 27/01/17
Ba2Cu3P4 ICSD 69494 Ibam (72) ✔ 18 146 2 0.0 0.000 0.818 (0;110) ✗ 02/02/17
Ba2CuF6 COD 7221242 Cmce (64) ✔ 18 146 1 0.0 0.000 0.956 (0;110) ✗ 02/02/17
Ba2CuTeO6 ICSD 6240 P-1 (2) ✔ 20 146 3 0.0 0.011 0.535 (0;100) ✗ 02/02/17
BaNb4O6 ICSD 42006 P4/mmm (123) ✔ 11 98 3 0.0 0.003 0.660 (1;111) ✗ 05/01/17
Ba2LiFe2N3 ICSD 71060 C2/c (15) ✔ 16 108 1 0.0 0.006 0.407 (1;000) ✗ 02/02/17
BaNi2(PO4)2 COD 2008469 R-3 (148) ✔ 13 88 2 0.0 0.007 0.116 (0;000) ✗ 05/01/17
Ba2GaGeN COD 1005040 P2_1/m (11) ✔ 10 84 1 0.0 0.214 0.062 (0;000) ✗ 02/02/17
Ba(NiP)2 ICSD 85408 I4/mmm (139) ✔ 5 40 2 0.0 0.013 0.833 (1;111) ✗ 05/01/17
Ba2Ni5Ge4 ICSD 423268 C2/m (12) ✔ 11 86 1 0.0 0.011 0.901 (0;111) ✗ 02/02/17
Ba2Ge ICSD 25351 Pnma (62) ✔ 12 96 1 0.0 0.008 0.019 (1;000) ✗ 02/02/17
Ba(NiP2)2 ICSD 79105 I4/mmm (139) ✔ 7 50 2 0.0 0.004 0.466 (0;000) ✗ 05/01/17
Ba(SiNi)2 COD 7221340 Cmcm (63) ✔ 10 76 3 0.0 0.019 0.577 (1;000) ✗ 05/01/17
Ba(NiO2)4 ICSD 20898 R-3m (166) ✔ 13 98 2 0.0 0.002 0.827 (1;111) ✗ 05/01/17
BaNiO2 COD 1527692 Cmcm (63) ✔ 8 64 2 0.0 0.025 0.027 (0;000) ✗ 05/01/17
Ba2In ICSD 261714 Pnma (62) ✔ 12 132 1 0.0 0.000 0.462 (1;011) ✗ 02/02/17
HfSi ICSD 53040 Pnma (62) ✔ 8 64 3 0.0 0.046 0.093 (1;000) ✗ 27/01/17
Ba2ScIrO6 ICSD 88153 C2/m (12) ✔ 10 84 3 0.0 0.291 0.410 (0;000) ✗ 02/02/17
BaY2NiO5 COD 2002505 Immm (71) ✔ 9 72 3 0.0 0.009 0.438 (0;000) ✗ 05/01/17
Ba2YIrO6 ICSD 88155 C2/m (12) ✔ 10 84 3 0.0 0.337 0.384 (0;000) ✗ 02/02/17
BaNiS2 COD 4123984 P4/nmm (129) ✔ 8 64 2 0.0 0.020 0.175 (0;001) ✗ 05/01/17
BaOsO3 ICSD 237730 Pm-3m (221) ✔ 5 44 3 0.0 0.264 0.690 (0;000) ✗ 05/01/17
BaPbO3 ICSD 245606 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.123 (1;000) ✗ 05/01/17
Ba2Mg17 ICSD 150735 R-3m (166) ✔ 19 190 1 0.0 0.012 0.675 (0;000) ✗ 02/02/17
Ba2Mg3Si4 ICSD 408938 C2/m (12) ✔ 18 132 3 0.0 0.011 0.303 (1;111) ✗ 02/02/17
Ba2Mn2Sb2O ICSD 16360 P6_3/mmc (194) ✔ 14 132 2 0.0 0.008 0.838 (1;000) ✗ 02/02/17
Ba2NaO ICSD 411905 Cmme (67) ✔ 8 70 1 0.0 0.000 0.537 (0;001) ✗ 02/02/17
Ba2NiTeO6 ICSD 25005 R-3m (166) ✔ 20 144 3 0.0 0.014 0.370 (0;111) ✗ 02/02/17
Ba2YReO6 ICSD 97089 P2_1/c (14) ✔ 20 164 3 0.0 0.029 0.393 (0;000) ✗ 02/02/17
BaPbO3 ICSD 51659 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.691 (0;000) ✗ 05/01/17
HfSi2 ICSD 16697 Cmcm (63) ✔ 6 40 3 0.0 0.025 0.327 (1;000) ✗ 06/10/16
Ba2Sb ICSD 41837 I4/mmm (139) ✔ 6 50 1 0.0 0.024 0.277 (0;111) ✗ 02/02/17
BaTiO3 ICSD 109327 P4/mmm (123) ✔ 5 40 3 0.0 0.004 0.613 (0;110) ✗ 05/01/17
Hf3Sc ICSD 168284 Ccmm (63) ✔ 8 94 3 0.0 0.000 0.590 (1;110) ✗ 06/10/16
Ba2Si ICSD 52698 Pnma (62) ✔ 12 96 1 0.0 0.011 0.022 (1;000) ✗ 02/02/17
Hf5Te4 ICSD 154358 I4/m (87) ✔ 9 84 3 0.0 0.001 0.544 (1;111) ✗ 02/02/17
Ba COD 1507757 Pm-3m (221) ✔ 1 10 3 0.0 0.000 0.092 (0;000) ✗ 05/01/17
Ba3CaIr2O9 ICSD 246280 P-3m1 (164) ✔ 15 128 3 0.0 0.002 0.470 (0;001) ✗ 02/02/17
Ba3CaRu2O9 ICSD 152482 P-3m1 (164) ✔ 15 126 1 0.0 0.010 0.267 (1;001) ✗ 02/02/17
Ba3(CdSb2)2 COD 4306710 C2/m (12) ✔ 9 74 3 0.0 0.034 0.033 (0;110) ✗ 02/02/17
Ba3CdHg10 ICSD 290306 Immm (71) ✔ 14 162 3 0.0 0.021 0.529 (0;111) ✗ 02/02/17
Ba COD 9008528 Im-3m (229) ✔ 1 10 1 0.0 0.000 0.399 (0;000) ✗ 05/01/17
KHg ICSD 104302 P-1 (2) ✔ 8 84 3 0.0 0.028 0.152 (0;010) ✗ 06/10/16
NaHg ICSD 104326 Ccmm (63) ✔ 8 84 3 0.0 0.014 0.562 (0;000) ✗ 06/10/16
Ba(POs)2 ICSD 602106 I4/mmm (139) ✔ 5 52 2 0.0 0.013 0.559 (1;111) ✗ 05/01/17
Ba3Cr2O8 COD 2216715 R-3m (166) ✔ 13 106 1 0.0 0.000 0.359 (0;000) ✗ 02/02/17
Ba3CrN3 ICSD 154802 P6_3/m (176) ✔ 14 118 1 0.0 0.000 0.336 (0;000) ✗ 02/02/17
Ba3CrO5 ICSD 73893 I4/mcm (140) ✔ 18 148 1 0.0 0.000 0.531 (1;000) ✗ 02/02/17
Ba3Y2Cu2PtO10 ICSD 65935 C2/m (12) ✔ 18 144 3 0.0 0.004 0.369 (0;111) ✗ 02/02/17
Ba3FeN3 ICSD 36502 P6_3/m (176) ✔ 14 106 1 0.0 0.000 0.973 (1;000) ✗ 02/02/17
Ba3(GeN)2 COD 1005031 P2_1/m (11) ✔ 14 96 1 0.0 0.017 0.965 (0;010) ✗ 02/02/17
Ba3Ge5 ICSD 167163 Cmcm (63) ✔ 16 100 1 0.0 0.004 0.405 (1;110) ✗ 02/02/17
Ba(PPd)2 ICSD 36375 P4/mmm (123) ✔ 5 56 2 0.0 0.007 0.588 (0;110) ✗ 05/01/17
Ba(PRh)2 ICSD 50188 I4/mmm (139) ✔ 5 54 2 0.0 0.018 0.654 (1;000) ✗ 05/01/17
Ba3(LiSb)4 ICSD 615946 Immm (71) ✔ 11 62 1 0.0 0.042 0.196 (0;111) ✗ 02/02/17
Ba3(LiSn2)4 ICSD 240016 C2/m (12) ✔ 15 154 1 0.0 0.021 0.313 (1;000) ✗ 02/02/17
Ba3LiN ICSD 245652 P6_3/mmc (194) ✔ 10 76 1 0.0 0.002 0.574 (1;000) ✗ 02/02/17
Ba(PRu)2 ICSD 602127 I4/mmm (139) ✔ 5 52 2 0.0 0.019 0.532 (1;111) ✗ 05/01/17
Ba3Mn2O8 COD 2008132 R-3m (166) ✔ 13 108 1 0.0 0.002 0.678 (0;111) ✗ 02/02/17
Ba3MnN3 ICSD 80771 P6_3/m (176) ✔ 14 120 1 0.0 0.001 0.960 (1;000) ✗ 02/02/17
Ba(ZnP)2 COD 7221353 I4/mmm (139) ✔ 5 44 2 0.0 0.286 0.109 (0;000) ✗ 05/01/17
Ba(P2Pd)2 ICSD 75020 I4/mmm (139) ✔ 7 66 2 0.0 0.025 0.332 (0;000) ✗ 05/01/17
Ba3N ICSD 77730 P6_3/mcm (193) ✔ 8 70 1 0.0 0.000 0.810 (0;000) ✗ 02/02/17
Ba3NiO4 ICSD 30662 R-3c (167) ✔ 16 128 2 0.0 0.002 0.082 (0;000) ✗ 02/02/17
Ba3Ta2NiO9 ICSD 240281 P-3m1 (164) ✔ 15 120 3 0.0 0.004 0.638 (0;000) ✗ 02/02/17
Ba3NaN ICSD 67497 P6_3/mmc (194) ✔ 10 88 1 0.0 0.008 0.556 (1;000) ✗ 02/02/17
HgTe ICSD 162604 Ccmm (63) ✔ 4 36 3 0.0 0.055 0.417 (0;110) ✗ 06/10/16
Hf3(Cu2Ge)2 ICSD 53269 P-62m (189) ✗ 9 88 3 0.0 0.022 0.300 (1;000) ✔ 05/12/16
BaPb ICSD 616019 Cmcm (63) ✔ 4 48 1 0.0 0.089 0.120 (0;110) ✗ 05/01/17
Ba3Pb5 ICSD 165184 Cmcm (63) ✔ 16 200 1 0.0 0.066 0.282 (0;110) ✗ 02/02/17
BaZnPb COD 1527802 P6_3/mmc (194) ✔ 6 72 2 0.0 0.007 0.168 (1;000) ✗ 05/01/17
Zr3(Cu2Ge)2 ICSD 53286 P-62m (189) ✗ 9 64 3 0.0 0.010 0.223 (0;000) ✔ 06/10/16
Ba3Sc4 ICSD 20621 R-3m (166) ✔ 7 74 1 0.0 0.017 0.749 (0;111) ✗ 02/02/17
Ba3Sn5 ICSD 167166 Cmcm (63) ✔ 16 200 1 0.0 0.007 0.366 (1;110) ✗ 02/02/17
BaPd2 ICSD 58671 Fd-3m (227) ✔ 6 92 3 0.0 0.000 0.169 (0;000) ✗ 05/01/17
Ba4Na(BiO4)3 ICSD 77640 Im-3m (229) ✔ 20 166 3 0.0 0.000 0.084 (0;000) ✗ 02/02/17
Ba(SbPd)2 ICSD 61197 I4/mmm (139) ✔ 5 56 3 0.0 0.029 0.777 (0;000) ✗ 05/01/17
NiHg4 ICSD 151197 Im-3m (229) ✔ 5 58 3 0.0 0.120 0.417 (0;000) ✗ 27/01/17
Hf3(SiCu2)2 ICSD 53288 P-62m (189) ✗ 9 88 3 0.0 0.019 0.311 (0;000) ✔ 05/12/16
BaPd5 ICSD 58672 P6/mmm (191) ✔ 6 100 3 0.0 0.002 0.552 (0;000) ✗ 05/01/17
BaPt2 ICSD 58675 Fd-3m (227) ✔ 6 60 3 0.0 0.023 0.386 (0;000) ✗ 05/01/17
MnInCu4 ICSD 424277 P6_3mc (186) ✗ 12 144 3 0.0 0.000 0.421 ? ✗ 06/10/16
Ba5Bi3 ICSD 41839 P6_3/mcm (193) ✔ 16 190 1 0.0 0.000 0.703 (1;000) ✗ 02/02/17
Ba5Cd2(Sb2O)2 ICSD 423458 C2/m (12) ✔ 13 106 3 0.0 0.057 0.125 (1;111) ✗ 02/02/17
Ba5Pb3 ICSD 58668 I4/mcm (140) ✔ 16 184 1 0.0 0.007 0.558 (0;111) ✗ 02/02/17
Ba5Sb3 ICSD 616108 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.631 (0;000) ✗ 02/02/17
BaPt5 ICSD 616041 P6/mmm (191) ✔ 6 60 3 0.0 0.006 0.454 (1;000) ✗ 05/01/17
Ba5Sn3 COD 7221208 I4/mcm (140) ✔ 16 184 1 0.0 0.021 0.569 (0;111) ✗ 02/02/17
Ba6Os2N6O ICSD 419467 R-3 (148) ✔ 15 128 1 0.0 0.007 0.163 (1;000) ✗ 02/02/17
Ba6Re2N6O ICSD 419636 R-3 (148) ✔ 15 126 1 0.0 0.046 0.473 (1;111) ✗ 02/02/17
Ba9In4 ICSD 421410 I4/m (87) ✔ 13 142 1 0.0 0.002 0.722 (1;000) ✗ 02/02/17
BaCdBi2 ICSD 58635 I4/mmm (139) ✔ 8 104 1 0.0 0.059 0.074 (0;111) ✗ 02/02/17
Ba(BiPd)2 ICSD 416299 P2_1/m (11) ✔ 10 152 3 0.0 0.059 0.739 (0;000) ✗ 02/02/17
BaZnBi2 ICSD 58638 I4/mmm (139) ✔ 8 104 1 0.0 0.043 0.147 (0;000) ✗ 02/02/17
BaPt COD 4113101 P6_3/mmc (194) ✔ 4 40 3 0.0 0.001 0.150 (0;000) ✗ 05/01/17
BaMnBiF ICSD 426033 P4/nmm (129) ✔ 8 94 1 0.0 0.000 0.869 (0;000) ✗ 02/02/17
Hg4Pt ICSD 639148 Im-3m (229) ✔ 5 58 3 0.0 0.659 0.309 (0;000) ✗ 27/01/17
BaBiO3 COD 2100569 P2_1/c (14) ✔ 20 172 3 0.0 1.096 0.032 (0;000) ✗ 02/02/17
Zr3(SiCu2)2 ICSD 26260 P-62m (189) ✗ 9 64 3 0.0 0.012 0.272 ? ✗ 06/10/16
BaRh2 ICSD 108149 Fd-3m (227) ✔ 6 88 3 0.0 0.007 0.591 (0;000) ✗ 05/01/17
BaSi2 COD 1527353 P-3m1 (164) ✔ 3 18 2 0.0 0.020 0.229 (0;001) ✗ 05/01/17
Ba(ZnSi)2 ICSD 174269 I4/mmm (139) ✔ 5 42 3 0.0 0.005 0.274 (1;000) ✗ 05/01/17
BaSi COD 1526652 Cmcm (63) ✔ 4 28 1 0.0 0.012 0.130 (0;110) ✗ 05/01/17
Hf6Ga2Fe ICSD 631770 P-62m (189) ✗ 9 106 3 0.0 0.000 0.901 ? ✗ 06/10/16
BaZnSi COD 1527803 P6_3/mmc (194) ✔ 6 52 2 0.0 0.001 0.295 (0;000) ✗ 05/01/17
BaSn5 ICSD 107305 P6/mmm (191) ✔ 6 80 2 0.0 0.010 0.705 (1;001) ✗ 05/01/17
BaZnSn COD 1527804 P6_3/mmc (194) ✔ 6 72 2 0.0 0.002 0.266 (1;000) ✗ 05/01/17
Ba(Cd2Pt)2 COD 4334058 P4_2/mnm (136) ✔ 14 156 3 0.0 0.009 0.947 (1;000) ✗ 02/02/17
Zr6Ga2Fe ICSD 631856 P-62m (189) ✗ 9 58 3 0.0 0.000 0.879 ? ✗ 06/10/16
BaTl2 ICSD 58681 P6_3/mmc (194) ✔ 6 72 3 0.0 0.027 0.062 (0;000) ✗ 05/01/17
BaZn2 ICSD 58683 Imma (74) ✔ 6 68 3 0.0 0.006 0.471 (0;111) ✗ 05/01/17
BaCdSb2 ICSD 52683 I4/mmm (139) ✔ 8 64 1 0.0 0.030 0.180 (0;000) ✗ 02/02/17
BeAu ICSD 58396 P2_13 (198) ✗ 8 60 3 0.0 0.000 0.475 (1;111) ✔ 06/10/16
CuN ICSD 161756 F-43m (216) ✗ 2 16 3 0.0 0.009 0.871 (0;000) ✔ 06/10/16
HfFeGe ICSD 23577 P-62m (189) ✗ 9 72 3 0.0 0.000 0.800 ? ✗ 06/10/16
BaCrO3 ICSD 35029 P6_3/mmc (194) ✔ 20 168 3 0.0 0.004 0.700 (1;000) ✗ 02/02/17
Ba(CuP2)2 ICSD 68802 Fddd (70) ✔ 14 104 2 0.0 0.100 0.128 (1;111) ✗ 02/02/17
HfFeGe ICSD 632036 P-62m (189) ✗ 9 72 3 0.0 0.000 0.800 ? ✗ 06/10/16
Ba(CuSb)2 ICSD 236308 P4/nmm (129) ✔ 10 84 3 0.0 0.010 0.517 (1;000) ✗ 02/02/17
BaZn ICSD 616171 Pm-3m (221) ✔ 2 22 1 0.0 0.000 0.663 (1;000) ✗ 05/01/17
Be4B COD 1511458 P4/nmm (129) ✔ 10 38 1 0.0 0.000 0.827 (0;001) ✗ 05/01/17
NaFeS2 ICSD 37026 I222 (23) ✗ 8 58 1 0.0 0.010 0.239 (0;000) ✔ 06/10/16
Ba(Cu2P)4 ICSD 66016 I4/m (87) ✔ 13 118 3 0.0 0.005 0.981 (1;111) ✗ 02/02/17
BaCu ICSD 58646 P6_3/mmc (194) ✔ 8 84 2 0.0 0.003 0.217 (0;000) ✗ 02/02/17
BaCuN COD 1005050 C2/c (15) ✔ 18 156 3 0.0 0.029 0.020 (1;110) ✗ 02/02/17
BaCu(SeO3)2 ICSD 202388 C2/c (15) ✔ 20 138 2 0.0 0.000 0.983 (1;101) ✗ 02/02/17
BaSi2CuO6 COD 2001087 I4/mmm (139) ✔ 20 130 2 0.0 0.003 0.025 (0;111) ✗ 02/02/17
NbFeO4 ICSD 429 C2 (5) ✗ 12 90 3 0.0 0.010 0.796 ? ✗ 06/10/16
CaNi4B COD 8103479 P6/mmm (191) ✔ 12 106 3 0.0 0.001 0.746 (1;000) ✗ 05/01/17
FeSiO4 ICSD 186518 P2_1nm (31) ✗ 12 72 2 0.0 0.025 0.586 (0;000) ✔ 06/10/16
BaCuSn2 ICSD 58648 Cmcm (63) ✔ 8 98 3 0.0 0.000 0.864 (1;000) ✗ 02/02/17
FeCo2B ICSD 603579 Pnma (62) ✔ 16 180 3 0.0 0.000 0.387 (0;110) ✗ 05/01/17
Co2B COD 1511063 I4/mcm (140) ✔ 6 74 3 0.0 0.000 0.445 (1;111) ✗ 05/01/17
YFeCo3B ICSD 613036 P6/mmm (191) ✔ 12 146 3 0.0 0.002 0.638 (1;001) ✗ 05/01/17
Ti3FeO7 ICSD 190042 Imm2 (44) ✗ 11 86 3 0.0 0.026 0.691 ? ✗ 06/10/16
YCo4B COD 1511072 P6/mmm (191) ✔ 12 164 3 0.0 0.005 0.493 (1;000) ✗ 05/01/17
BaFe2S3 COD 1527523 Cmcm (63) ✔ 12 88 1 0.0 0.025 0.346 (0;110) ✗ 02/02/17
BaFe2Se3 ICSD 290596 Cmcm (63) ✔ 12 88 1 0.0 0.001 0.469 (1;000) ✗ 02/02/17
BaSr(FeO2)4 ICSD 1838 P-31m (162) ✔ 14 100 2 0.0 0.017 0.796 (0;001) ✗ 02/02/17
Ba(FeSb3)4 ICSD 658735 Im3 (204) ✔ 17 102 3 0.0 0.012 0.521 (0;000) ✗ 02/02/17
CoBMo COD 1511054 Pnma (62) ✔ 12 136 3 0.0 0.006 0.231 (0;000) ✗ 05/01/17
CoB COD 9008945 Pnma (62) ✔ 8 80 3 0.0 0.039 0.086 (0;000) ✗ 05/01/17
Ba(GaPt)2 ICSD 50160 P2_1/c (14) ✔ 20 224 3 0.0 0.082 0.520 (1;001) ✗ 02/02/17
CoReB COD 1511055 Pnma (62) ✔ 12 140 3 0.0 0.001 0.512 (0;011) ✗ 05/01/17
BaGaGe ICSD 615870 P6_3/mmc (194) ✔ 12 108 1 0.0 0.006 0.891 (0;000) ✗ 02/02/17
Ba(Ge3Pt)4 ICSD 174551 Im3 (204) ✔ 17 98 3 0.0 0.028 0.522 (1;000) ✗ 02/02/17
BaLiGe2 ICSD 162583 Pnma (62) ✔ 16 84 1 0.0 0.000 0.601 (1;011) ✗ 02/02/17
Ba(GeRu)2 ICSD 77143 Fddd (70) ✔ 10 100 3 0.0 0.023 0.187 (1;111) ✗ 02/02/17
BaGe3 ICSD 261651 P6_3/mmc (194) ✔ 8 44 1 0.0 0.001 0.862 (0;000) ✗ 02/02/17
BaGe5 COD 4341884 Imma (74) ✔ 12 60 1 0.0 0.013 0.886 (0;111) ✗ 02/02/17
BaNiGe COD 4335167 Pnma (62) ✔ 12 96 2 0.0 0.009 0.223 (1;000) ✗ 02/02/17
C3N4 ICSD 248430 P-6 (174) ✗ 7 32 1 0.0 0.001 0.871 (0;000) ✔ 06/10/16
Fe(Si2O3)2 ICSD 34181 P1 (1) ✗ 11 60 1 0.0 0.022 0.092 (0;000) ✔ 06/10/16
BaV2Ni3(HO5)2 ICSD 424330 C2/m (12) ✔ 18 128 2 0.0 0.006 0.659 (0;000) ✗ 02/02/17
Cr2B COD 1009055 I4/mcm (140) ✔ 6 62 3 0.0 0.000 0.611 (1;000) ✗ 05/01/17
CrBO3 COD 2310093 R-3c (167) ✔ 10 70 3 0.0 0.000 0.476 (0;000) ✗ 05/01/17
Be12Cr ICSD 150599 I4/mmm (139) ✔ 13 62 1 0.0 0.010 0.513 (1;111) ✗ 05/01/17
Be12Fe ICSD 616264 I4/mmm (139) ✔ 13 56 1 0.0 0.002 0.723 (1;111) ✗ 05/01/17
BaIn2Ir ICSD 414434 Cmcm (63) ✔ 8 106 3 0.0 0.000 0.789 (0;000) ✗ 02/02/17
FeSbPt ICSD 103606 P2_13 (198) ✗ 12 92 3 0.0 0.000 0.320 ? ✗ 06/10/16
BaIn2Pt ICSD 411228 Cmcm (63) ✔ 8 92 3 0.0 0.036 0.481 (1;000) ✗ 02/02/17
BaIn2Rh ICSD 411232 Cmcm (63) ✔ 8 106 3 0.0 0.000 0.869 (0;110) ✗ 02/02/17
Be12Mo ICSD 616334 I4/mmm (139) ✔ 13 62 1 0.0 0.009 0.485 (1;000) ✗ 05/01/17
BaIn4Ir COD 4305632 Pmma (51) ✔ 12 158 3 0.0 0.000 0.878 (0;000) ✗ 02/02/17
Ba(SiIr)2 ICSD 50159 P2_1/c (14) ✔ 20 208 3 0.0 0.225 0.604 (0;000) ✗ 02/02/17
BaMg2 COD 4311321 P6_3/mmc (194) ✔ 12 120 1 0.0 0.001 0.718 (0;000) ✗ 02/02/17
Ba(MgPb)2 ICSD 25338 P4/nmm (129) ✔ 10 116 3 0.0 0.023 0.350 (0;001) ✗ 02/02/17
BaYMn2O6 ICSD 154011 C2/m (12) ✔ 20 174 3 0.0 0.004 0.750 (0;001) ✗ 02/02/17
BaMnO3 ICSD 23874 P6_3/mmc (194) ✔ 20 172 3 0.0 0.010 0.301 (0;000) ✗ 02/02/17
BaMnS2 ICSD 615969 Pnma (62) ✔ 16 148 2 0.0 0.000 0.707 (1;011) ✗ 02/02/17
BaMnSb2 COD 7221197 I4/mmm (139) ✔ 8 70 1 0.0 0.000 0.856 (0;000) ✗ 02/02/17
Ba(MoSe)3 ICSD 603615 P6_3/m (176) ✔ 14 140 1 0.0 0.001 0.675 (0;000) ✗ 02/02/17
Ba(MoSe)3 ICSD 615982 P6_3/m (176) ✔ 14 140 3 0.0 0.001 0.671 (0;000) ✗ 02/02/17
Ba(TeMo)3 ICSD 603674 P6_3/m (176) ✔ 14 140 3 0.0 0.001 0.674 (1;000) ✗ 02/02/17
Ba(Mo3S4)2 COD 9007736 R-3 (148) ✔ 15 142 3 0.0 0.036 0.438 (1;000) ✗ 02/02/17
Be12Pd ICSD 109314 I4/mmm (139) ✔ 13 66 1 0.0 0.002 0.476 (1;000) ✗ 05/01/17
Sc6FeSb2 ICSD 96247 P-62m (189) ✗ 9 84 3 0.0 0.000 0.655 ? ✗ 06/10/16
Be12Pt ICSD 109315 I4/mmm (139) ✔ 13 58 1 0.0 0.029 0.440 (1;000) ✗ 05/01/17
BaNa2 COD 7221378 P6_3/mmc (194) ✔ 12 112 1 0.0 0.002 0.455 (1;000) ✗ 02/02/17
TiBe12 ICSD 58745 P6/mmm (191) ✔ 13 60 1 0.0 0.000 0.624 (0;000) ✗ 05/01/17
NbI5 ICSD 10457 P-1 (2) ✔ 12 96 1 0.0 0.048 0.113 (0;111) ✗ 06/10/16
Y6FeSb2 ICSD 96248 P-62m (189) ✗ 9 84 3 0.0 0.000 0.526 ? ✗ 06/10/16
BaNbS3 ICSD 659538 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.531 (0;000) ✗ 02/02/17
TiBe12 ICSD 616454 I4/mmm (139) ✔ 13 60 1 0.0 0.002 0.588 (1;111) ✗ 05/01/17
BaWO2 COD 5910071 I4_1/a (88) ✔ 16 144 3 0.0 0.017 0.346 (1;111) ✗ 02/02/17
BaRhO3 COD 1527219 P6_3/mmc (194) ✔ 20 180 3 0.0 0.002 0.877 (1;000) ✗ 02/02/17
BaRuO3 ICSD 84652 P6_3/mmc (194) ✔ 20 176 3 0.0 0.006 0.695 (0;000) ✗ 02/02/17
BaRuO3 COD 1528493 R-3m (166) ✔ 15 132 3 0.0 0.014 0.310 (0;111) ✗ 02/02/17
Be12W ICSD 109316 I4/mmm (139) ✔ 13 62 1 0.0 0.036 0.476 (1;000) ✗ 05/01/17
Zr6FeSb2 ICSD 156949 P-62m (189) ✗ 9 42 3 0.0 0.000 0.919 ? ✗ 06/10/16
Hf2Be17 ICSD 616280 R-3m (166) ✔ 19 92 1 0.0 0.008 0.511 (1;000) ✗ 05/01/17
Ba(Sb3Os)4 ICSD 658736 Im3 (204) ✔ 17 134 3 0.0 0.015 0.642 (0;000) ✗ 02/02/17
Be17Nb2 ICSD 58724 R-3m (166) ✔ 19 94 1 0.0 0.033 0.637 (1;000) ✗ 05/01/17
BaPb3 ICSD 419973 R-3m (166) ✔ 12 156 3 0.0 0.011 0.473 (1;000) ✗ 02/02/17
Li2In ICSD 51961 Cmcm (63) ✔ 6 38 1 0.0 0.000 0.804 (1;110) ✗ 27/01/17
Ba(SbPd)2 ICSD 604350 P4/nmm (129) ✔ 10 112 3 0.0 0.005 0.787 (0;000) ✗ 02/02/17
BaPd COD 9016560 C2/c (15) ✔ 4 56 1 0.0 0.010 0.519 (1;000) ✗ 02/02/17
Sc6FeTe2 ICSD 90081 P-62m (189) ✗ 9 86 3 0.0 0.000 0.534 ? ✗ 06/10/16
BaSb2Pd ICSD 405111 Cmcm (63) ✔ 8 76 3 0.0 0.005 0.512 (1;000) ✗ 02/02/17
Ta2Be17 ICSD 616430 R-3m (166) ✔ 19 94 1 0.0 0.075 0.627 (1;000) ✗ 05/01/17
Ti2Be17 ICSD 109217 R-3m (166) ✔ 19 92 1 0.0 0.000 0.521 (1;000) ✗ 05/01/17
Ba(SiRh)2 ICSD 50158 P2_1/c (14) ✔ 20 208 3 0.0 0.014 0.425 (1;001) ✗ 02/02/17
Ba(Sb3Ru)4 ICSD 616049 Im3 (204) ✔ 17 134 3 0.0 0.022 0.455 (0;000) ✗ 02/02/17
Zr6FeTe2 ICSD 82530 P-62m (189) ✗ 9 44 3 0.0 0.000 0.846 (0;100) ✔ 06/10/16
Zr2Be17 ICSD 616514 R-3m (166) ✔ 19 76 1 0.0 0.001 0.511 (1;000) ✗ 05/01/17
BaTaS3 COD 4343774 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.573 (0;000) ✗ 02/02/17
Ca(BeGe)2 ICSD 25337 P4/nmm (129) ✔ 10 52 1 0.0 0.012 0.450 (1;000) ✗ 05/01/17
BaTiS3 COD 2310546 P6_3/mmc (194) ✔ 10 80 1 0.0 0.019 0.133 (0;000) ✗ 02/02/17
BaVS3 COD 1008062 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.424 (0;000) ✗ 02/02/17
BaVS3 COD 1008377 P6_3/mmc (194) ✔ 10 82 3 0.0 0.000 0.675 (1;000) ✗ 02/02/17
InSb ICSD 156995 Cmcm (63) ✔ 4 36 3 0.0 0.022 0.498 (0;000) ✗ 06/10/16
BaSb2 ICSD 413519 P2_1/m (11) ✔ 18 120 1 0.0 0.040 0.156 (0;010) ✗ 02/02/17
BaSb2 COD 8100903 P2_1/m (11) ✔ 6 40 1 0.0 0.056 0.102 (0;010) ✗ 02/02/17
Ba(ZnSb)2 ICSD 32020 Pnma (62) ✔ 20 176 3 0.0 0.015 0.060 (0;000) ✗ 02/02/17
BaTaSe3 ICSD 659547 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.422 (0;000) ✗ 02/02/17
BaTiSe3 ICSD 616131 P6_3/mmc (194) ✔ 10 80 1 0.0 0.002 0.267 (1;000) ✗ 02/02/17
BaVSe3 COD 1521756 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.358 (0;000) ✗ 02/02/17
BaZrSe3 ICSD 616136 P6_3/mmc (194) ✔ 10 64 1 0.0 0.005 0.254 (0;000) ✗ 02/02/17
BaSi6 COD 8103027 Cmcm (63) ✔ 14 68 3 0.0 0.004 0.931 (0;110) ✗ 02/02/17
Ba(ZnSn)2 ICSD 25339 P4/nmm (129) ✔ 10 124 3 0.0 0.019 0.428 (1;000) ✗ 02/02/17
BaSn3 COD 1508415 P6_3/mmc (194) ✔ 8 104 1 0.0 0.005 0.754 (0;000) ✗ 02/02/17
MoIr ICSD 104499 Pmmb (51) ✔ 4 46 3 0.0 0.000 0.815 (0;001) ✗ 06/10/16
Be2Cr ICSD 616224 P6_3/mmc (194) ✔ 12 88 3 0.0 0.005 0.232 (1;000) ✗ 05/01/17
BaZn5 ICSD 616174 Cmcm (63) ✔ 12 140 3 0.0 0.005 0.532 (1;110) ✗ 02/02/17
Be2Cu ICSD 616247 Fd-3m (227) ✔ 6 38 3 0.0 0.000 0.436 (0;000) ✗ 05/01/17
Be2Fe COD 7221338 P6_3/mmc (194) ✔ 12 64 3 0.0 0.002 0.583 (1;000) ✗ 05/01/17
IrN2 ICSD 160620 Pmnn (58) ✔ 6 38 3 0.0 0.000 0.965 (1;011) ✗ 06/10/16
LiGaGe ICSD 25310 P6_3mc (186) ✗ 6 40 3 0.0 0.017 0.080 (0;000) ✔ 06/10/16
MnBe2 ICSD 58714 P6_3/mmc (194) ✔ 12 92 3 0.0 0.003 0.497 (1;000) ✗ 05/01/17
Sc7BCl12 COD 1511042 R-3 (148) ✔ 20 164 3 0.0 0.000 0.743 (0;000) ✗ 02/02/17
Be2Mo ICSD 58716 P6_3/mmc (194) ✔ 12 88 3 0.0 0.025 0.233 (1;000) ✗ 05/01/17
HfGaRh ICSD 634326 P-62m (189) ✗ 9 126 3 0.0 0.000 0.758 ? ✗ 06/10/16
Be2Nb3 ICSD 58722 P4/mbm (127) ✔ 10 94 3 0.0 0.000 0.950 (1;110) ✗ 05/01/17
Cr5Si3B ICSD 613552 P6_3/mcm (193) ✔ 18 170 3 0.0 0.000 0.921 (0;000) ✗ 02/02/17
YMgGa ICSD 160909 P-62m (189) ✗ 9 102 3 0.0 0.019 0.169 (0;000) ✔ 28/10/16
Be2Nb ICSD 58721 Fd-3m (227) ✔ 6 42 3 0.0 0.000 0.463 (0;000) ✗ 05/01/17
Be2Re ICSD 58732 P6_3/mmc (194) ✔ 12 92 3 0.0 0.012 0.565 (1;000) ✗ 05/01/17
Ta3Be2 ICSD 616431 P4/mbm (127) ✔ 10 94 3 0.0 0.000 0.935 (0;001) ✗ 05/01/17
Be2Ru ICSD 616410 P6_3/mmc (194) ✔ 12 96 1 0.0 0.003 0.511 (0;000) ✗ 02/02/17
TaBe2 ICSD 58739 Fd-3m (227) ✔ 6 42 3 0.0 0.000 0.593 (0;000) ✗ 05/01/17
SiIr ICSD 15693 Pmnb (62) ✔ 8 52 3 0.0 0.001 0.343 (0;011) ✗ 06/10/16
VIr ICSD 104590 Cmmm (65) ✔ 4 44 3 0.0 0.012 0.614 (0;111) ✗ 06/10/16
MnGaNi2 ICSD 167566 I4/mmm (139) ✔ 4 48 3 0.0 0.003 0.606 (0;111) ✗ 06/10/16
TiBe2 ICSD 616463 Fd-3m (227) ✔ 6 40 3 0.0 0.000 0.692 (0;000) ✗ 05/01/17
Be2V ICSD 58752 P6_3/mmc (194) ✔ 12 84 3 0.0 0.004 0.370 (1;000) ✗ 05/01/17
BeSO8 COD 9014047 I4/mcm (140) ✔ 20 116 1 0.0 0.002 0.475 (1;000) ✗ 02/02/17
ZrBe2 ICSD 616515 P6/mmm (191) ✔ 3 12 1 0.0 0.004 0.679 (0;000) ✗ 05/01/17
Nb5Ge2B ICSD 614401 I4/mcm (140) ✔ 16 152 3 0.0 0.007 0.332 (1;111) ✗ 02/02/17
Nb5Ge3B ICSD 614400 P6_3/mcm (193) ✔ 18 160 3 0.0 0.013 0.619 (1;000) ✗ 02/02/17
Ta5Ge3B ICSD 614404 P6_3/mcm (193) ✔ 18 160 3 0.0 0.003 0.571 (1;000) ✗ 02/02/17
V5Ge3B ICSD 614407 P6_3/mcm (193) ✔ 18 160 3 0.0 0.012 0.420 (1;000) ✗ 02/02/17
HfBe5 ICSD 616291 P6/mmm (191) ✔ 6 32 1 0.0 0.022 0.447 (0;001) ✗ 05/01/17
ZrBe5 ICSD 58757 P6/mmm (191) ✔ 6 24 1 0.0 0.004 0.395 (0;001) ✗ 05/01/17
CaMnBi2 COD 7221108 P4/nmm (129) ✔ 8 110 1 0.0 0.000 0.864 (0;000) ✗ 02/02/17
IrW ICSD 104596 Pmmb (51) ✔ 4 46 3 0.0 0.000 0.746 (0;001) ✗ 06/10/16
ZrGaRh ICSD 635225 P-62m (189) ✗ 9 102 3 0.0 0.000 0.743 ? ✗ 06/10/16
Ti4CoBi2 ICSD 150147 I4/mcm (140) ✔ 14 190 3 0.0 0.000 0.920 (1;111) ✗ 02/02/17
HfBeSi ICSD 108103 P6_3/mmc (194) ✔ 6 40 3 0.0 0.001 0.140 (1;000) ✗ 05/01/17
ZrIr ICSD 163453 Cmcm (63) ✔ 8 84 3 0.0 0.017 0.492 (1;000) ✗ 27/01/17
BeMo3 ICSD 58715 Pm-3n (223) ✔ 8 92 3 0.0 0.008 0.403 (0;000) ✗ 05/01/17
Cs3Bi2 COD 4116198 C2/c (15) ✔ 10 114 1 0.0 0.000 0.262 (0;011) ✗ 02/02/17
CsBi2 ICSD 58771 Fd-3m (227) ✔ 6 78 3 0.0 0.000 0.599 (0;000) ✗ 02/02/17
Ge(BiTe2)2 ICSD 30394 R-3m (166) ✔ 7 58 3 0.0 0.174 0.007 (1;111) ✗ 02/02/17
Hf6Ga2Ni ICSD 634312 P-62m (189) ✗ 9 108 3 0.0 0.000 0.890 ? ✗ 06/10/16
Bi2Ir ICSD 616739 P2_1/c (14) ✔ 12 188 3 0.0 0.154 0.167 (0;000) ✗ 02/02/17
Mg(BiO3)2 ICSD 50005 P4_2/mnm (136) ✔ 18 152 3 0.0 0.008 0.035 (0;000) ✗ 02/02/17
MnNi(BiO3)2 ICSD 153857 P2_1/c (14) ✔ 20 182 3 0.0 0.000 0.877 (0;000) ✗ 02/02/17
Mn(BiSe2)2 ICSD 603311 C2/m (12) ✔ 14 138 3 0.0 0.000 0.138 (0;110) ✗ 02/02/17
Ti4MnBi2 ICSD 150145 I4/mcm (140) ✔ 14 186 3 0.0 0.000 0.573 (1;111) ✗ 02/02/17
Be COD 9012040 P6_3/mmc (194) ✔ 2 8 1 0.0 0.001 0.353 (1;000) ✗ 05/01/17
Ni3(BiSe)2 COD 1524228 C2/m (12) ✔ 14 144 3 0.0 0.013 0.816 (1;111) ✗ 02/02/17
Ti4NiBi2 ICSD 150148 I4/mcm (140) ✔ 14 176 3 0.0 0.001 0.464 (0;000) ✗ 02/02/17
Bi2O3 COD 1010004 P2_1/c (14) ✔ 20 192 3 0.0 0.077 0.116 (1;000) ✗ 02/02/17
BaSb2 ICSD 409517 P2_1/m (11) ✔ 6 40 1 0.0 0.056 0.102 (0;001) ✔ 04/10/16
CrTe ICSD 169766 F-43m (216) ✗ 2 20 3 0.0 0.024 0.243 (1;000) ✔ 04/10/16
CrBr2 ICSD 23903 C2/m (12) ✔ 3 28 2 0.0 0.045 0.565 (0;000) ✔ 27/01/17
LaNi ICSD 641489 Ccmm (63) ✔ 4 26 3 0.0 0.000 0.851 (1;110) ✗ 06/10/16
LaPd ICSD 641672 Ccmm (63) ✔ 4 26 3 0.0 0.000 0.854 (0;110) ✗ 06/10/16
Bi2Te5Pb2 ICSD 42708 P-3m1 (164) ✔ 9 88 3 0.0 0.002 0.115 (1;000) ✗ 02/02/17
ZrBeSi ICSD 76123 P6_3/mmc (194) ✔ 6 24 3 0.0 0.006 0.162 (1;000) ✗ 05/01/17
Sr(BiPd)2 ICSD 604338 P4/nmm (129) ✔ 10 152 3 0.0 0.010 0.832 (0;000) ✗ 02/02/17
Bi2Pd3S2 ICSD 616954 C2/m (12) ✔ 14 192 3 0.0 0.056 0.857 (1;111) ✗ 02/02/17
Bi2Pd3Se2 ICSD 261457 C2/m (12) ✔ 14 192 3 0.0 0.096 0.791 (0;110) ✗ 02/02/17
Bi2Pt COD 9012882 Pa3 (205) ✔ 12 160 3 0.0 0.009 0.123 (0;000) ✗ 02/02/17
Bi2Rh3S2 ICSD 420725 C2/m (12) ✔ 14 186 3 0.0 0.021 0.395 (0;001) ✗ 02/02/17
Si2Bi2Rh3 ICSD 617015 C2/m (12) ✔ 14 178 3 0.0 0.035 0.679 (0;001) ✗ 02/02/17
Bi2Rh COD 2101560 P-1 (2) ✔ 12 188 3 0.0 0.214 0.033 (0;001) ✗ 02/02/17
Ta2Be ICSD 58738 I4/mcm (140) ✔ 6 60 3 0.0 0.005 0.340 (1;000) ✗ 05/01/17
Fe2NiB ICSD 614129 Pnma (62) ✔ 16 116 3 0.0 0.000 0.593 (1;110) ✗ 05/01/17
SrZnBi2 ICSD 41924 I4/mmm (139) ✔ 8 104 1 0.0 0.031 0.134 (0;000) ✗ 02/02/17
Fe3B ICSD 260757 Pnma (62) ✔ 16 108 3 0.0 0.000 0.611 (0;110) ✗ 05/01/17
Fe3BO5 COD 1511157 P2/m (10) ✔ 18 114 3 0.0 0.005 0.752 (1;100) ✗ 05/01/17
Zr5CuBi3 COD 2238336 P6_3/mcm (193) ✔ 18 152 3 0.0 0.001 0.632 (0;000) ✗ 02/02/17
In4Bi3Pb ICSD 616725 I4/mcm (140) ✔ 16 222 3 0.0 0.000 0.557 (0;000) ✗ 02/02/17
In5Bi3 COD 1527696 I4/mcm (140) ✔ 16 220 3 0.0 0.024 0.683 (1;000) ✗ 02/02/17
Bi3Mo COD 2104406 P2_1/m (11) ✔ 16 236 1 0.0 0.008 0.509 (1;000) ✗ 02/02/17
Ni7Bi3 COD 1519106 Pmma (51) ✔ 20 230 1 0.0 0.000 0.438 (0;001) ✗ 02/02/17
NiBi3 ICSD 391336 Pnma (62) ✔ 16 220 3 0.0 0.002 0.716 (0;011) ✗ 02/02/17
Fe5Si2B ICSD 614184 I4/mcm (140) ✔ 16 102 3 0.0 0.000 0.783 (1;111) ✗ 05/01/17
Sr5Bi3 ICSD 617154 P6_3/mcm (193) ✔ 16 190 1 0.0 0.000 0.580 (1;000) ✗ 02/02/17
Bi3Te2S ICSD 107587 P-3m1 (164) ✔ 12 126 2 0.0 0.083 0.030 (0;001) ✗ 02/02/17
FeB ICSD 153475 P4_2/ncm (138) ✔ 16 88 3 0.0 0.005 0.424 (0;000) ✗ 05/01/17
FeB ICSD 33577 Pnma (62) ✔ 8 44 3 0.0 0.000 0.520 (0;011) ✗ 05/01/17
FeBO3 COD 1511131 R-3c (167) ✔ 10 58 3 0.0 0.001 0.646 (0;000) ✗ 05/01/17
Bi ICSD 187502 Cmce (64) ✔ 8 120 3 0.0 0.028 0.332 (0;000) ✗ 02/02/17
FeBi4S7 COD 4508261 C2/m (12) ✔ 12 110 3 0.0 0.045 0.019 (0;000) ✗ 02/02/17
GeBi4Te7 ICSD 42891 P-3m1 (164) ✔ 12 106 3 0.0 0.074 0.057 (1;001) ✗ 02/02/17
FeB COD 1010477 Pnma (62) ✔ 8 44 3 0.0 0.001 0.652 (0;011) ✗ 05/01/17
Bi4Te7Pb ICSD 42707 P-3m1 (164) ✔ 12 116 3 0.0 0.056 0.062 (1;001) ✗ 02/02/17
Bi4Se3 COD 9011943 R-3m (166) ✔ 7 78 2 0.0 0.084 0.168 (0;111) ✗ 02/02/17
LaPt ICSD 641688 Ccmm (63) ✔ 4 26 3 0.0 0.000 0.831 (0;110) ✗ 06/10/16
Bi4Te3 COD 9011203 R-3m (166) ✔ 7 78 3 0.0 0.012 0.112 (0;111) ✗ 02/02/17
LaRh ICSD 641721 Ccmm (63) ✔ 4 40 3 0.0 0.011 0.109 (0;000) ✗ 06/10/16
AlRe ICSD 58146 Pm-3m (221) ✔ 2 18 3 0.0 0.002 0.680 (1;111) ✗ 05/01/17
FeB COD 1011336 Pnma (62) ✔ 8 44 3 0.0 0.000 0.776 (0;011) ✗ 05/01/17
Ca(MnBi)2 ICSD 41791 P-3m1 (164) ✔ 5 70 2 0.0 0.008 0.603 (1;001) ✗ 05/01/17
LaS ICSD 77831 Ccme (64) ✔ 8 36 2 0.0 0.000 0.635 (1;000) ✗ 06/10/16
MnBiS2Br ICSD 415307 C2/m (12) ✔ 10 98 3 0.0 0.005 0.294 (1;111) ✗ 02/02/17
Li3YBi2 ICSD 616795 P-3m1 (164) ✔ 6 50 2 0.0 0.051 0.212 (1;000) ✗ 05/01/17
LaSi ICSD 408030 Ccmm (63) ✔ 8 28 3 0.0 0.019 0.484 (0;000) ✗ 06/10/16
LiCaBi ICSD 616539 Pnma (62) ✔ 12 112 1 0.0 0.016 0.004 (1;000) ✗ 02/02/17
Mg3Bi2 ICSD 659569 P-3m1 (164) ✔ 5 60 2 0.0 0.173 0.176 (1;000) ✗ 05/01/17
Bi2O3 COD 1010311 Pn-3m (224) ✔ 10 96 3 0.0 0.003 0.667 (1;000) ✗ 05/01/17
AuN ICSD 167882 F-43m (216) ✗ 2 16 3 0.0 0.000 0.871 (0;000) ✔ 06/10/16
Ca2Sb ICSD 154 I4mm (107) ✗ 6 50 1 0.0 0.091 0.055 (0;000) ✔ 06/10/16
LaSn ICSD 423421 Cmcm (63) ✔ 4 34 3 0.0 0.000 0.738 (0;000) ✗ 06/10/16
Zr6Ga2Ni ICSD 635001 P-62m (189) ✗ 9 60 3 0.0 0.000 0.836 ? ✗ 06/10/16
Bi2Pd COD 9012855 C2/m (12) ✔ 6 96 3 0.0 0.125 0.692 (1;000) ✗ 05/01/17
Bi2Pd COD 9012857 I4/mmm (139) ✔ 3 48 2 0.0 0.384 0.383 (1;000) ✗ 05/01/17
CoBiO3 ICSD 247467 Pnma (62) ✔ 20 200 3 0.0 0.098 0.149 (0;000) ✗ 02/02/17
CrBiO3 ICSD 174403 Pnma (62) ✔ 20 188 3 0.0 0.001 0.448 (0;110) ✗ 02/02/17
CrBiO3 ICSD 174404 C2/c (15) ✔ 20 188 3 0.0 0.003 0.244 (1;000) ✗ 02/02/17
LaSn2 ICSD 657383 Cmmm (65) ✔ 6 62 3 0.0 0.011 0.391 (1;000) ✗ 06/10/16
LaTe3 ICSD 642014 Ccmm (63) ✔ 8 42 2 0.0 0.000 0.968 (1;000) ✗ 06/10/16
Ca2Bi COD 9008354 I4/mmm (139) ✔ 6 70 1 0.0 0.064 0.059 (0;000) ✗ 05/01/17
CaCuBi ICSD 57018 P6_3/mmc (194) ✔ 6 72 2 0.0 0.013 0.213 (1;000) ✗ 05/01/17
CsMnBi ICSD 616575 P4/nmm (129) ✔ 6 78 1 0.0 0.000 0.808 (1;001) ✗ 02/02/17
Li2Tl ICSD 642401 Cmcm (63) ✔ 6 38 1 0.0 0.000 0.717 (1;110) ✗ 27/01/17
CuBiTeO ICSD 187824 P4/nmm (129) ✔ 8 76 3 0.0 0.011 0.156 (1;001) ✗ 05/01/17
SrCuBi ICSD 58777 P6_3/mmc (194) ✔ 6 72 2 0.0 0.001 0.153 (1;000) ✗ 05/01/17
Mg3Sn ICSD 70069 P-1 (2) ✔ 8 88 3 0.0 0.000 0.622 (1;001) ✗ 06/10/16
FeBiO3 ICSD 162895 Pnma (62) ✔ 20 164 3 0.0 0.000 0.630 (0;110) ✗ 02/02/17
MnO2 ICSD 20227 I4/m (87) ✔ 12 108 3 0.0 0.001 0.936 (1;000) ✗ 06/10/16
Bi ICSD 42679 P2_1/m (11) ✔ 4 60 3 0.0 0.015 0.308 (1;111) ✗ 05/01/17
Bi ICSD 51674 I4/mcm (140) ✔ 4 60 3 0.0 0.037 0.408 (1;100) ✗ 05/01/17
In2Bi COD 1527697 P6_3/mmc (194) ✔ 6 82 3 0.0 0.000 0.715 (0;000) ✗ 05/01/17
MnBiSe2I ICSD 415138 C2/m (12) ✔ 10 98 3 0.0 0.006 0.308 (1;001) ✗ 02/02/17
InBi COD 1527695 P4/nmm (129) ✔ 4 56 2 0.0 0.005 0.282 (0;000) ✗ 05/01/17
AgF2 ICSD 20453 P2_1/c (14) ✔ 6 50 3 0.0 0.000 0.514 (0;001) ✔ 06/10/16
AuSe ICSD 73669 C2/m (12) ✔ 4 34 2 0.0 0.719 0.042 (0;000) ✔ 06/10/16
MnP ICSD 30412 Pmnb (62) ✔ 8 80 3 0.0 0.004 0.259 (1;000) ✗ 06/10/16
LiYGa4 ICSD 98666 P-6m2 (187) ✗ 6 66 3 0.0 0.004 0.244 (0;000) ✔ 05/12/16
KMgBi ICSD 616748 P4/nmm (129) ✔ 6 68 1 0.0 0.015 0.028 (1;000) ✗ 05/01/17
K2SnBi ICSD 107616 Pbcm (57) ✔ 16 188 1 0.0 0.007 0.375 (0;000) ✗ 02/02/17
KMnBi ICSD 601586 P4/nmm (129) ✔ 6 78 1 0.0 0.000 0.834 (1;000) ✗ 05/01/17
K3Bi COD 1010295 P6_3/mmc (194) ✔ 8 84 1 0.0 0.006 0.037 (0;000) ✗ 02/02/17
HfGeOs ICSD 636578 P-62m (189) ✗ 9 96 3 0.0 0.000 0.788 (0;001) ✔ 20/12/16
NaMnBi ICSD 616814 P4/nmm (129) ✔ 6 78 1 0.0 0.000 0.871 (1;000) ✗ 05/01/17
MnBi COD 9008899 P6_3/mmc (194) ✔ 4 60 3 0.0 0.004 0.449 (0;000) ✗ 05/01/17
HfGeRu ICSD 636584 P-62m (189) ✗ 9 96 3 0.0 0.000 0.759 (0;000) ✔ 05/12/16
MnBiO3 COD 4340609 Pnma (62) ✔ 20 192 3 0.0 0.005 0.512 (0;000) ✗ 02/02/17
MnBiO3 COD 4340611 C2/c (15) ✔ 20 192 3 0.0 0.011 0.416 (0;000) ✗ 02/02/17
MnVBiO5 ICSD 59720 P-1 (2) ✔ 16 146 3 0.0 0.005 0.110 (0;010) ✗ 02/02/17
RbMnBi ICSD 616824 P4/nmm (129) ✔ 6 78 1 0.0 0.000 0.815 (1;000) ✗ 02/02/17
NaBi ICSD 616837 P4/mmm (123) ✔ 2 24 2 0.0 0.099 0.424 (1;000) ✗ 05/01/17
MnS2 ICSD 643441 Pnnm (58) ✔ 6 54 3 0.0 0.000 0.914 (0;101) ✗ 27/01/17
Na3Bi COD 1010291 P6_3/mmc (194) ✔ 8 84 1 0.0 0.026 0.008 (1;000) ✗ 02/02/17
Y5Ni2Bi ICSD 190147 I4/mcm (140) ✔ 16 180 3 0.0 0.007 0.472 (1;111) ✗ 02/02/17
NiBiO3 COD 7222310 P-1 (2) ✔ 20 172 3 0.0 0.013 0.141 (0;000) ✗ 02/02/17
NiBi ICSD 616868 P6_3/mmc (194) ✔ 4 50 3 0.0 0.000 0.814 (1;000) ✗ 05/01/17
InBO6 COD 5910089 R-3m (166) ✔ 8 52 3 0.0 0.007 0.415 (0;000) ✗ 05/01/17
MnTe ICSD 643799 Pnma (62) ✔ 8 84 3 0.0 0.001 0.702 (0;011) ✗ 27/01/17
SN ICSD 41967 P2_1/c (14) ✔ 8 44 1 0.0 0.008 0.092 (0;010) ✗ 27/01/17
SrBiO3 COD 2000656 Cmcm (63) ✔ 10 86 1 0.0 0.000 0.951 (1;110) ✗ 05/01/17
Ba ICSD 280680 P6/mmm (191) ✔ 2 20 1 0.0 0.000 0.916 (1;001) ✗ 02/02/17
Re2BiO6 ICSD 181425 C2/c (15) ✔ 18 162 3 0.0 0.000 0.476 (1;100) ✗ 02/02/17
Bi COD 9012437 P6_3/mmc (194) ✔ 2 30 1 0.0 0.000 0.839 (1;000) ✗ 02/02/17
Bi(PdO2)2 ICSD 263051 P-1 (2) ✔ 14 150 3 0.0 0.134 0.105 (0;000) ✗ 05/01/17
BiPPb2 COD 1531358 Pnma (62) ✔ 16 192 1 0.0 0.031 0.331 (0;000) ✗ 02/02/17
Rb3Bi ICSD 616997 P6_3/mmc (194) ✔ 8 84 1 0.0 0.005 0.053 (0;000) ✗ 02/02/17
RbBi ICSD 9787 Pmmn (59) ✔ 4 48 1 0.0 0.002 0.246 (0;000) ✗ 02/02/17
BiSe ICSD 617073 P-3m1 (164) ✔ 12 126 2 0.0 0.114 0.007 (0;001) ✗ 02/02/17
Sr2Bi COD 9008355 I4/mmm (139) ✔ 6 70 1 0.0 0.033 0.051 (0;111) ✗ 02/02/17
CdPo ICSD 102047 F-43m (216) ✗ 2 28 3 0.0 0.000 0.009 (1;000) ✔ 06/10/16
ZrBi COD 8100032 Cmcm (63) ✔ 12 114 3 0.0 0.000 0.692 (1;110) ✗ 02/02/17
ReO3 ICSD 202338 P6_322 (182) ✗ 8 66 3 0.0 0.001 0.569 (1;101) ✔ 06/10/16
MoN ICSD 76280 P6_3/mmc (194) ✔ 4 38 3 0.0 0.000 0.939 (0;000) ✗ 06/10/16
MnB COD 1511485 P4_2/ncm (138) ✔ 16 144 3 0.0 0.001 0.588 (0;000) ✗ 02/02/17
ReBiO4 COD 1522924 Cmcm (63) ✔ 12 108 3 0.0 0.030 0.756 (0;000) ✗ 05/01/17
Nb5Si3B ICSD 614916 P6_3/mcm (193) ✔ 18 160 3 0.0 0.007 0.610 (1;000) ✗ 02/02/17
NbBRu COD 4002175 Pmma (51) ✔ 18 192 3 0.0 0.003 0.685 (0;110) ✗ 02/02/17
LiYGe ICSD 32029 P-62m (189) ✗ 9 54 0 0.0 0.012 0.128 (1;000) ✔ 06/10/16
Ni4Mo ICSD 105047 I4/m (87) ✔ 5 54 3 0.0 0.001 0.721 (1;000) ✗ 06/10/16
Bi COD 8100521 C2/m (12) ✔ 2 30 3 0.0 0.042 0.657 (0;001) ✗ 05/01/17
MnNbGe ICSD 42911 P-62m (189) ✗ 9 96 3 0.0 0.000 0.690 ? ✗ 06/10/16
Bi COD 9012006 P6_3/mmc (194) ✔ 2 30 1 0.0 0.000 0.565 (1;000) ✗ 05/01/17
YBiPd2 ICSD 58842 Fm-3m (225) ✔ 4 62 3 0.0 0.000 0.234 (1;000) ✗ 05/01/17
MoPt ICSD 644148 Pmmb (51) ✔ 4 48 3 0.0 0.067 0.517 (0;101) ✗ 06/10/16
MnNbGe ICSD 637001 P-62m (189) ✗ 9 96 3 0.0 0.000 0.690 ? ✗ 06/10/16
BiPd COD 9004224 P6_3/mmc (194) ✔ 4 66 3 0.0 0.000 0.833 (1;000) ✗ 05/01/17
Rb2Cu(BrCl)2 ICSD 15147 Cmce (64) ✔ 14 114 2 0.0 0.000 0.824 (0;000) ✗ 02/02/17
BiPt COD 9008911 P6_3/mmc (194) ✔ 4 50 3 0.0 0.000 0.879 (1;000) ✗ 05/01/17
CoSb2Br2O3 ICSD 418858 P-1 (2) ✔ 16 118 2 0.0 0.018 1.000 (1;110) ✗ 02/02/17
ZnHg3Se3Br2 ICSD 186941 P-3 (147) ✔ 18 160 3 0.0 0.002 0.589 (0;000) ✗ 02/02/17
MnGeRh ICSD 637069 P-62m (189) ✗ 9 108 3 0.0 0.000 0.601 ? ✗ 06/10/16
MoRh ICSD 108608 Pmma (51) ✔ 4 62 3 0.0 0.000 0.802 (0;001) ✗ 27/01/17
Mg(BrO3)2 COD 9015252 C2/m (12) ✔ 9 60 1 0.0 0.007 0.663 (0;000) ✗ 02/02/17
MnBr2 ICSD 67517 Fd-3m (227) ✔ 12 116 3 0.0 0.002 0.320 (0;000) ✗ 02/02/17
Zn(BrN)2 COD 9016192 Imma (74) ✔ 10 72 1 0.0 0.001 0.725 (1;000) ✗ 02/02/17
ScMnGe ICSD 600156 P-62m (189) ✗ 9 90 3 0.0 0.000 0.648 ? ✗ 06/10/16
BiRh COD 9008914 P6_3/mmc (194) ✔ 4 64 3 0.0 0.008 0.572 (0;000) ✗ 05/01/17
LiBIr COD 1511190 Fddd (70) ✔ 12 92 3 0.0 0.038 0.253 (1;111) ✗ 05/01/17
Nb(SeBr)2 COD 4030177 P-1 (2) ✔ 10 78 2 0.0 0.066 0.211 (1;001) ✗ 02/02/17
ScMnGe ICSD 637079 P-62m (189) ✗ 9 90 3 0.0 0.000 0.648 ? ✗ 06/10/16
LiB11 ICSD 164842 R3m (160) ✗ 12 36 0 0.0 0.261 0.254 (0;000) ✔ 06/10/16
Ba ICSD 615773 P6_3/mmc (194) ✔ 2 20 1 0.0 0.019 0.268 (0;000) ✗ 05/01/17
TaMnGe ICSD 637098 P-62m (189) ✗ 9 96 3 0.0 0.000 0.657 ? ✗ 06/10/16
BaGe6 COD 4341768 Cmcm (63) ✔ 14 68 3 0.0 0.005 0.938 (0;110) ✗ 02/02/17
TlBiTe2 COD 2310403 R-3m (166) ✔ 4 40 3 0.0 0.197 0.022 (0;000) ✗ 05/01/17
ScB2Os ICSD 615126 Pnma (62) ✔ 16 132 3 0.0 0.002 0.259 (1;011) ✗ 27/01/17
B5W2 ICSD 615696 P6_3/mmc (194) ✔ 14 86 3 0.0 0.000 1.000 (1;011) ✗ 27/01/17
ZrBr2 ICSD 41540 R-3 (148) ✔ 18 108 3 0.0 0.043 0.050 (0;000) ✗ 02/02/17
Be2W ICSD 616501 P6_3/mmc (194) ✔ 12 88 3 0.0 0.153 1.000 (1;001) ✗ 27/01/17
Fe2B COD 1010474 I4/mcm (140) ✔ 6 38 3 0.0 0.000 0.524 (1;001) ✗ 27/01/17
MoS2 ICSD 26622 R-3m (166) ✔ 3 26 2 0.0 0.053 0.331 (1;111) ✗ 27/01/17
LiB ICSD 236960 P6_3/mmc (194) ✔ 4 12 1 0.0 0.002 0.218 (0;000) ✗ 27/01/17
Mg3BN3 COD 2100976 Pmmm (47) ✔ 7 48 3 0.0 0.006 0.131 (1;000) ✗ 27/01/17
Rb ICSD 109018 I4_1/amd (141) ✔ 2 18 3 0.0 0.000 0.554 (1;111) ✗ 27/01/17
Te2Mo ICSD 14349 P2_1/m (11) ✔ 12 104 2 0.0 0.034 0.170 (0;000) ✗ 06/10/16
CrInBr3 ICSD 54136 P2_1/c (14) ✔ 20 192 3 0.0 0.006 0.247 (1;000) ✗ 02/02/17
ZrGeOs ICSD 637491 P-62m (189) ✗ 9 72 3 0.0 0.000 0.761 ? ✗ 06/10/16
CsFeBr3 ICSD 174041 P6_3/mmc (194) ✔ 10 76 1 0.0 0.042 0.009 (0;000) ✗ 02/02/17
Mn2B COD 1511237 I4/mcm (140) ✔ 6 66 3 0.0 0.000 0.530 (1;111) ✗ 27/01/17
TiGePd ICSD 409925 P-62m (189) ✗ 9 78 3 0.0 0.000 0.203 ? ✗ 06/10/16
CsMnBr3 COD 1532232 P6_3/mmc (194) ✔ 10 90 1 0.0 0.000 0.764 (0;000) ✗ 02/02/17
CsNiBr3 ICSD 423829 P6_3/mmc (194) ✔ 10 80 1 0.0 0.004 0.320 (0;000) ✗ 02/02/17
MnB COD 1511236 Pnma (62) ✔ 8 72 3 0.0 0.010 0.591 (1;000) ✗ 27/01/17
BMo2 COD 1511240 I4/mcm (140) ✔ 6 62 3 0.0 0.000 0.653 (1;000) ✗ 27/01/17
CsTiBr3 ICSD 41320 P6_3/mmc (194) ✔ 10 84 1 0.0 0.013 0.537 (0;000) ✗ 02/02/17
CsVBr3 COD 1530067 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.745 (0;000) ✗ 02/02/17
CdS ICSD 600773 I2mm (44) ✗ 2 18 3 0.0 2.665 0.027 (0;000) ✔ 06/10/16
Pd2N ICSD 236605 P4/mmm (123) ✔ 6 50 3 0.0 0.020 0.753 (0;111) ✗ 06/10/16
BMo ICSD 614812 Cmcm (63) ✔ 4 34 3 0.0 0.000 0.780 (0;000) ✗ 27/01/17
BMo COD 9008953 I4_1/amd (141) ✔ 8 68 3 0.0 0.032 0.690 (1;111) ✗ 27/01/17
PbS ICSD 77865 Pm-3m (221) ✔ 2 20 3 0.0 0.271 0.306 (1;111) ✗ 27/01/17
NaBPt3 COD 1511249 P6/mmm (191) ✔ 10 84 3 0.0 0.039 0.685 (1;000) ✗ 27/01/17
Pd2N ICSD 96418 Pnnm (58) ✔ 6 82 3 0.0 0.000 0.775 (1;011) ✗ 27/01/17
SrGePt ICSD 57115 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.543 ? ✗ 06/10/16
O2 ICSD 164724 P6_3/mmc (194) ✔ 4 24 1 0.0 0.002 0.588 (1;000) ✗ 27/01/17
MnInBr3 ICSD 75470 Pnma (62) ✔ 20 196 3 0.0 0.000 0.208 (0;011) ✗ 02/02/17
NbNiB COD 1511255 Cmcm (63) ✔ 6 52 3 0.0 0.011 0.215 (1;110) ✗ 27/01/17
ScGeRh ICSD 637681 P-62m (189) ✗ 9 96 3 0.0 0.002 0.892 ? ✗ 06/10/16
KMnBr3 ICSD 42441 Pnma (62) ✔ 20 180 2 0.0 0.000 0.347 (0;101) ✗ 02/02/17
NbB COD 1511254 Cmcm (63) ✔ 4 32 3 0.0 0.024 0.365 (1;000) ✗ 27/01/17
RbMnBr3 COD 1532234 P6_3/mmc (194) ✔ 10 90 1 0.0 0.000 0.748 (0;000) ✗ 02/02/17
MoBr3 COD 1525597 Cmcm (63) ✔ 8 70 1 0.0 0.000 0.463 (0;110) ✗ 02/02/17
Ni2B COD 1511265 I4/mcm (140) ✔ 6 46 3 0.0 0.001 0.828 (0;111) ✗ 27/01/17
Si2Os ICSD 647776 C2/m (12) ✔ 6 48 3 0.0 0.447 0.105 (0;000) ✔ 27/01/17
ZrGeTe4 ICSD 240906 Cmc2_1 (36) ✗ 12 64 2 0.0 0.116 0.024 (0;000) ✔ 06/10/16
Ni3B ICSD 614985 Pnma (62) ✔ 16 132 3 0.0 0.000 0.646 (0;110) ✗ 27/01/17
RbNiBr3 COD 1527093 P6_3/mmc (194) ✔ 10 80 1 0.0 0.014 0.320 (0;000) ✗ 02/02/17
YNi4B COD 8000084 P6/mmm (191) ✔ 12 108 3 0.0 0.007 0.649 (0;000) ✗ 27/01/17
TaNiB ICSD 615023 Cmcm (63) ✔ 6 52 3 0.0 0.029 0.198 (1;110) ✗ 27/01/17
RbTiBr3 ICSD 154257 P6_3/mmc (194) ✔ 10 84 1 0.0 0.017 0.528 (0;000) ✗ 02/02/17
RbVBr3 COD 1530069 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.658 (0;000) ✗ 02/02/17
OsN2 ICSD 157283 Pmnn (58) ✔ 6 52 3 0.0 0.040 0.182 (0;000) ✗ 06/10/16
RuBr3 COD 4000457 P6_3/mcm (193) ✔ 8 74 1 0.0 0.000 0.768 (0;000) ✗ 02/02/17
TiBO3 COD 8103469 R-3c (167) ✔ 10 66 3 0.0 0.000 0.815 (0;000) ✗ 27/01/17
VBO3 COD 7209472 R-3c (167) ✔ 10 68 3 0.0 0.007 0.763 (0;000) ✗ 27/01/17
TcBr3 COD 4103825 P6_3/mcm (193) ✔ 8 72 1 0.0 0.000 0.577 (0;000) ✗ 02/02/17
ZrBr3 ICSD 23945 P6_3/mcm (193) ✔ 8 50 1 0.0 0.000 0.543 (0;000) ✗ 02/02/17
Cs2Pd(IBr2)2 ICSD 240481 I4/mmm (139) ✔ 9 78 1 0.0 0.409 0.097 (0;000) ✗ 02/02/17
Mn2Ge ICSD 184947 F-43m (216) ✗ 3 34 3 0.0 0.020 0.242 (1;000) ✔ 04/10/16
BiB ICSD 184569 F-43m (216) ✗ 2 8 3 0.0 0.000 0.008 (1;000) ✔ 06/10/16
TaP ICSD 648185 I4_1md (109) ✗ 4 36 3 0.0 0.050 0.015 (1;001) ✔ 06/10/16
PdN2 ICSD 191244 Pnnm (58) ✔ 6 40 2 0.0 0.013 0.578 (0;000) ✗ 06/10/16
Sc3BPb COD 1511293 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.106 (1;000) ✗ 27/01/17
BPd2 COD 1511294 Pnnm (58) ✔ 6 78 3 0.0 0.000 0.880 (1;010) ✗ 27/01/17
BPd3 COD 1511295 Pnma (62) ✔ 16 228 3 0.0 0.000 0.634 (1;110) ✗ 27/01/17
BPt2 ICSD 615207 P6_3/mmc (194) ✔ 6 46 3 0.0 0.000 0.880 (0;001) ✗ 27/01/17
Cs3CoBr5 COD 1529929 I4/mcm (140) ✔ 18 158 1 0.0 0.000 0.390 (0;111) ✗ 02/02/17
Cs3FeBr5 ICSD 4065 I4/mcm (140) ✔ 18 140 1 0.0 0.002 0.201 (1;111) ✗ 02/02/17
Cs3MnBr5 COD 1523976 I4/mcm (140) ✔ 18 154 1 0.0 0.000 0.184 (0;111) ✗ 02/02/17
Ca3SiBr2 COD 1521781 I4/mmm (139) ✔ 6 48 1 0.0 0.005 0.315 (0;111) ✗ 27/01/17
Ca3SiBr2 COD 1521782 Immm (71) ✔ 6 48 1 0.0 0.012 0.022 (1;000) ✗ 27/01/17
Ca3SiBr2 COD 1521783 P-3m1 (164) ✔ 6 48 1 0.0 0.005 0.399 (0;000) ✗ 27/01/17
ReN2 ICSD 187452 Cmmm (65) ✔ 6 50 3 0.0 0.024 0.517 (0;001) ✗ 06/10/16
Ca3SiBr2 COD 1521784 R-3m (166) ✔ 6 48 1 0.0 0.001 0.479 (0;000) ✗ 27/01/17
Pb2Br5N COD 9016685 I4/mcm (140) ✔ 16 136 2 0.0 0.002 0.384 (1;000) ✗ 02/02/17
RhN2 ICSD 160622 Pmnn (58) ✔ 6 54 3 0.0 0.000 0.983 (1;011) ✗ 06/10/16
HgBr2 COD 9009213 Cmcm (63) ✔ 12 104 3 0.0 0.025 0.460 (0;110) ✗ 27/01/17
TlP ICSD 184576 F-43m (216) ✗ 2 18 3 0.0 0.000 0.014 (1;000) ✔ 06/10/16
YMgAg ICSD 104477 P-62m (189) ✗ 9 96 3 0.0 0.002 0.929 ? ✗ 06/10/16
NiBr2 COD 9008013 R-3m (166) ✔ 3 24 2 0.0 0.031 0.538 (0;000) ✗ 27/01/17
TiBr2 ICSD 26078 P-3m1 (164) ✔ 3 26 2 0.0 0.005 0.539 (0;000) ✗ 27/01/17
RuN2 ICSD 240754 Pmnn (58) ✔ 6 52 3 0.0 0.037 0.341 (0;000) ✗ 06/10/16
Y(GePt)2 ICSD 637662 P2_1 (4) ✗ 10 78 3 0.0 0.000 0.977 ? ✗ 06/10/16
Cs2WBr6 ICSD 402441 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.286 (0;000) ✗ 02/02/17
CsGeBr3 ICSD 80320 Pm-3m (221) ✔ 5 34 3 0.0 0.090 0.026 (1;111) ✗ 27/01/17
K2OsBr6 COD 1011312 Fm-3m (225) ✔ 9 76 2 0.0 0.441 0.133 (0;000) ✗ 02/02/17
P2Pd ICSD 166275 C2/c (15) ✔ 6 56 3 0.0 0.287 0.015 (0;000) ✔ 27/01/17
NaO2 ICSD 180562 Pmnn (58) ✔ 6 42 1 0.0 0.000 0.985 (0;110) ✗ 06/10/16
CsHgBr3 COD 1010118 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.157 (1;000) ✗ 27/01/17
HfSiOs ICSD 638753 P-62m (189) ✗ 9 96 3 0.0 0.000 0.790 ? ✗ 06/10/16
NaTl ICSD 261793 Cmcm (63) ✔ 8 88 3 0.0 0.040 0.217 (0;000) ✗ 06/10/16
HfSiRu ICSD 638841 P-62m (189) ✗ 9 96 3 0.0 0.000 0.816 ? ✗ 06/10/16
Se(Br3N)2 COD 9015666 Fm-3m (225) ✔ 9 58 1 0.0 0.012 0.593 (0;000) ✗ 02/02/17
Hf6NiSb2 ICSD 85966 P-62m (189) ✗ 9 92 3 0.0 0.000 0.952 ? ✗ 06/10/16
Fe2B ICSD 16809 I-42m (121) ✗ 6 38 3 0.0 0.009 0.613 (0;000) ✔ 06/10/16
P2W ICSD 37224 C2/m (12) ✔ 6 48 3 0.0 0.081 0.199 (0;000) ✔ 06/10/16
NbPt ICSD 645211 Pmma (51) ✔ 4 46 3 0.0 0.000 0.803 (0;101) ✗ 27/01/17
AlRh ICSD 609214 Pm-3m (221) ✔ 2 20 3 0.0 0.047 0.337 (0;000) ✗ 05/01/17
CrSBr ICSD 69659 Pmmn (59) ✔ 6 54 2 0.0 0.000 0.938 (0;000) ✗ 27/01/17
NbPt3 ICSD 645212 Pmmn (59) ✔ 8 86 3 0.0 0.000 0.825 (0;000) ✗ 27/01/17
Rb2WBr6 ICSD 402439 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.350 (0;000) ✗ 02/02/17
Re3B COD 1511311 Cmcm (63) ✔ 8 96 3 0.0 0.008 0.656 (1;000) ✗ 27/01/17
TeBr6 ICSD 38347 P4/mnc (128) ✔ 14 96 1 0.0 0.004 0.263 (0;000) ✗ 02/02/17
NbRh ICSD 105212 Pmmb (51) ✔ 4 60 3 0.0 0.004 0.545 (0;001) ✗ 06/10/16
BRh2 COD 2310098 Pnma (62) ✔ 12 148 3 0.0 0.001 0.753 (1;011) ✗ 27/01/17
ZrBRh3 ICSD 615353 Pm-3m (221) ✔ 5 58 3 0.0 0.000 0.110 (0;111) ✗ 27/01/17
NbTe4 ICSD 645526 P4/mcc (124) ✔ 10 74 3 0.0 0.000 0.577 (1;110) ✗ 06/10/16
HBr COD 1010385 Fm-3m (225) ✔ 2 8 1 0.0 0.000 0.199 (0;000) ✗ 27/01/17
PbS ICSD 183245 P-6m2 (187) ✗ 2 20 3 0.0 0.584 0.111 (0;000) ✔ 06/10/16
NiS2 ICSD 169570 Pmnn (58) ✔ 6 44 3 0.0 0.038 0.596 (1;000) ✗ 06/10/16
NiS2 ICSD 169574 I4/mmm (139) ✔ 3 22 3 0.0 0.004 0.793 (0;000) ✗ 06/10/16
SrHgPb ICSD 602710 P6_3mc (186) ✗ 6 72 3 0.0 0.004 0.416 ? ✗ 06/10/16
NiSb2 ICSD 41728 Pmnn (58) ✔ 6 40 3 0.0 0.107 0.514 (1;000) ✗ 06/10/16
CdHgSBr ICSD 185392 Cmmm (65) ✔ 16 148 3 0.0 0.002 0.764 (0;000) ✗ 02/02/17
BrN COD 9015934 Fm-3m (225) ✔ 2 12 1 0.0 0.067 0.688 (0;000) ✗ 27/01/17
BrN COD 9016337 Pm-3m (221) ✔ 2 12 1 0.0 0.007 0.619 (0;000) ✗ 27/01/17
TiNi ICSD 157606 Pmmb (51) ✔ 4 44 3 0.0 0.011 0.650 (0;100) ✗ 06/10/16
Sn(HgSe2)2 ICSD 165096 I-4 (82) ✗ 7 62 3 0.0 0.026 0.011 (1;000) ✔ 06/10/16
Sn(HgSe2)2 ICSD 639205 I-4 (82) ✗ 7 62 3 0.0 0.045 0.179 (1;000) ✔ 06/10/16
CdTe ICSD 108237 Pm2m (25) ✗ 2 18 3 0.0 0.032 0.374 (0;110) ✔ 06/10/16
ScAu COD 1510291 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.714 (0;111) ✗ 05/01/17
ZrNi ICSD 105478 Ccmm (63) ✔ 4 44 3 0.0 0.007 0.409 (1;000) ✗ 06/10/16
KIO3 ICSD 28545 Pm-3m (221) ✔ 5 34 3 0.0 0.091 0.116 (1;111) ✗ 30/01/17
TiBrO COD 1523160 Pmmn (59) ✔ 6 50 2 0.0 0.000 0.900 (0;001) ✗ 27/01/17
VBrO ICSD 27010 Pmmn (59) ✔ 6 52 2 0.0 0.005 0.462 (0;001) ✗ 27/01/17
ReB COD 1511506 I4_1/amd (141) ✔ 16 144 3 0.0 0.003 0.609 (1;111) ✗ 02/02/17
RuBr3 COD 4000456 Pmmn (59) ✔ 16 148 1 0.0 0.128 0.380 (0;000) ✗ 02/02/17
SiNi2 ICSD 105342 P6_3/mmc (194) ✔ 6 48 3 0.0 0.004 0.711 (0;000) ✗ 06/10/16
ZrBr COD 4343762 R-3m (166) ✔ 4 22 2 0.0 0.043 0.167 (0;111) ✗ 27/01/17
KBrF4 COD 2310667 I4/mcm (140) ✔ 12 88 1 0.0 0.016 0.097 (0;000) ✗ 02/02/17
Sc3SnB COD 1511324 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.112 (1;000) ✗ 27/01/17
Ta2B COD 1511330 I4/mcm (140) ✔ 6 58 3 0.0 0.000 0.603 (0;111) ✗ 27/01/17
Sr2FeBrO3 ICSD 93509 P4/nmm (129) ✔ 14 106 1 0.0 0.000 0.782 (0;000) ✗ 02/02/17
Ni3Sn ICSD 646747 Pmmn (59) ✔ 8 88 3 0.0 0.014 0.443 (0;010) ✗ 27/01/17
TaB COD 2310099 Cmcm (63) ✔ 4 32 3 0.0 0.035 0.321 (1;000) ✗ 27/01/17
TiB COD 9008946 Pnma (62) ✔ 8 60 3 0.0 0.000 0.817 (0;011) ✗ 27/01/17
HgSBr COD 1531031 P2_1/m (11) ✔ 6 50 1 0.0 0.000 0.690 (0;011) ✗ 02/02/17
LiIO3 ICSD 20012 P6_322 (182) ✗ 10 56 3 0.0 0.562 0.201 (0;000) ✔ 06/10/16
Ni4W ICSD 105452 I4/m (87) ✔ 5 54 3 0.0 0.023 0.698 (1;000) ✗ 06/10/16
Ti4O5 ICSD 174033 I4/m (87) ✔ 9 78 3 0.0 0.003 0.821 (1;111) ✗ 06/10/16
Ta3AlC2 COD 4307745 P6_3/mmc (194) ✔ 12 100 3 0.0 0.051 0.053 (1;000) ✗ 27/01/17
Ti3AlC2 COD 7221324 P6_3/mmc (194) ✔ 12 94 3 0.0 0.000 0.995 (1;000) ✗ 27/01/17
Be(B6C)2 ICSD 612548 R-3m (166) ✔ 15 48 3 0.0 0.000 0.279 (1;000) ✗ 27/01/17
Be(BC)2 ICSD 418618 Pmmn (59) ✔ 20 72 1 0.0 0.566 0.014 (0;000) ✗ 27/01/17
MnSbS2Br ICSD 172782 C2/m (12) ✔ 10 78 3 0.0 0.002 0.364 (1;111) ✗ 02/02/17
MnSbSe2Br ICSD 172784 Pnma (62) ✔ 20 156 3 0.0 0.000 0.378 (1;011) ✗ 02/02/17
Mo3S3Br COD 1525071 R-3 (148) ✔ 14 134 3 0.0 0.002 0.636 (0;111) ✗ 02/02/17
Sc(BC)2 ICSD 23834 Pbam (55) ✔ 20 100 3 0.0 0.010 0.583 (1;000) ✗ 27/01/17
Y(BC)2 ICSD 427155 P4/mbm (127) ✔ 10 50 3 0.0 0.000 0.546 (0;000) ✗ 27/01/17
Y(BC)2 ICSD 612672 P4_2/mmc (131) ✔ 10 50 3 0.0 0.000 0.731 (0;101) ✗ 27/01/17
TiBrO ICSD 240499 Pmma (51) ✔ 6 50 2 0.0 0.000 0.548 (0;001) ✗ 02/02/17
TiPd ICSD 167649 P2_1/m (11) ✔ 4 44 3 0.0 0.000 0.849 (0;000) ✔ 06/10/16
Ta4O ICSD 76022 Pmmm (47) ✔ 5 58 3 0.0 0.040 0.441 (0;111) ✗ 27/01/17
TlIO3 ICSD 76967 Pm-3m (221) ✔ 5 38 3 0.0 0.292 0.119 (1;111) ✗ 30/01/17
MgCd(CO3)2 COD 9000106 R-3 (148) ✔ 10 66 3 0.0 0.013 0.276 (1;111) ✗ 27/01/17
TaBRu ICSD 429116 Pmma (51) ✔ 18 192 3 0.0 0.012 0.833 (1;010) ✗ 02/02/17
ScCoC2 ICSD 62598 P4/nmm (129) ✔ 8 72 3 0.0 0.019 0.394 (1;001) ✗ 27/01/17
Cr3C2 ICSD 57009 Cmcm (63) ✔ 10 100 3 0.0 0.007 0.781 (0;000) ✗ 27/01/17
RuO2 ICSD 290495 Pmnn (58) ✔ 6 56 3 0.0 0.041 0.284 (0;000) ✗ 06/10/16
Zr5Sn3B ICSD 656289 P6_3/mcm (193) ✔ 18 130 3 0.0 0.000 0.765 (1;000) ✗ 02/02/17
ScCrC2 ICSD 80373 P6_3/mmc (194) ✔ 8 66 3 0.0 0.000 0.951 (1;000) ✗ 27/01/17
Fe5C2 COD 1521831 C2/c (15) ✔ 14 96 3 0.0 0.011 0.275 (1;000) ✗ 27/01/17
ScFeC2 ICSD 617820 P4/nmm (129) ✔ 8 54 3 0.0 0.000 0.843 (0;000) ✗ 27/01/17
ZnPo ICSD 105771 F-43m (216) ✗ 2 28 3 0.0 0.000 0.009 (1;000) ✔ 06/10/16
SbRh ICSD 650244 Pmnb (62) ✔ 8 88 3 0.0 0.053 0.326 (0;000) ✗ 06/10/16
Ti3GeC2 ICSD 180428 P6_3/mmc (194) ✔ 12 96 3 0.0 0.015 0.413 (1;000) ✗ 27/01/17
CoH2(CN2)2 ICSD 236414 Pnnm (58) ✔ 18 94 3 0.0 0.000 0.782 (0;000) ✗ 27/01/17
CsNiC2BrN2 ICSD 380468 I4/mmm (139) ✔ 14 88 3 0.0 0.012 0.283 (0;000) ✗ 02/02/17
RbNiC2BrN2 ICSD 380470 I4/mmm (139) ✔ 14 88 3 0.0 0.009 0.315 (0;000) ✗ 02/02/17
TeO2 ICSD 166848 Ccmm (63) ✔ 6 36 3 0.0 0.511 0.006 (0;000) ✗ 06/10/16
NiH2(CN2)2 ICSD 172908 Pnnm (58) ✔ 18 80 3 0.0 0.007 0.305 (0;000) ✗ 27/01/17
CsNiC2N2Cl ICSD 380469 I4/mmm (139) ✔ 14 88 2 0.0 0.009 0.271 (0;000) ✗ 02/02/17
RbNiC2N2Cl ICSD 380471 I4/mmm (139) ✔ 14 88 3 0.0 0.006 0.273 (0;000) ✗ 02/02/17
MgH4(CO)2 COD 2102790 C2/m (12) ✔ 9 34 1 0.0 0.004 0.546 (0;000) ✗ 27/01/17
TePt ICSD 41383 C2/m (12) ✔ 4 32 2 0.0 0.077 0.748 (1;111) ✔ 06/10/16
VO2 ICSD 1501 P-1 (2) ✔ 12 100 2 0.0 0.011 0.534 (1;001) ✗ 06/10/16
LiScI3 ICSD 73339 P-6c2 (188) ✗ 10 70 1 0.0 0.000 0.689 ? ✗ 06/10/16
Li2TeC2 COD 7220792 P-3m1 (164) ✔ 5 20 1 0.0 0.036 0.234 (0;000) ✗ 27/01/17
TaAs2 ICSD 44069 C2/m (12) ✔ 6 46 3 0.0 0.122 0.088 (0;111) ✔ 05/01/17
BaSb3 ICSD 49000 C2/m (12) ✔ 8 50 1 0.0 0.104 0.361 (1;001) ✔ 02/02/17
HgO ICSD 16627 Im2m (44) ✗ 2 18 3 0.0 0.002 0.206 (1;000) ✔ 04/10/16
Te4Pt3 ICSD 77983 C2/m (12) ✔ 7 54 3 0.0 0.070 0.458 (1;001) ✔ 27/01/17
RbSb ICSD 191491 F-43m (216) ✗ 2 14 1 0.0 0.000 0.134 (0;000) ✔ 06/10/16
OsS2 ICSD 647750 Pa3 (205) ✔ 12 112 3 0.0 0.034 0.187 (1;000) ✗ 06/10/16
YMgIn ICSD 160910 P-62m (189) ✗ 9 102 3 0.0 0.035 0.237 ? ✗ 06/10/16
NbInS2 ICSD 640054 P-6m2 (187) ✗ 4 38 3 0.0 0.030 0.270 (0;000) ✔ 06/10/16
NiC2(SN)2 ICSD 31320 C2/m (12) ✔ 7 40 2 0.0 0.014 0.451 (0;000) ✗ 27/01/17
NbInS2 ICSD 74702 P-6m2 (187) ✗ 4 38 2 0.0 0.014 0.412 (0;000) ✔ 06/10/16
Na2PtC2 ICSD 411389 P-3m1 (164) ✔ 5 36 3 0.0 0.122 0.052 (0;000) ✗ 27/01/17
NbInSe2 ICSD 53102 P-6m2 (187) ✗ 4 38 3 0.0 0.048 0.383 (1;100) ✔ 06/10/16
Ni(CO2)2 ICSD 190774 P2_1/c (14) ✔ 14 84 3 0.0 0.030 0.252 (0;000) ✗ 27/01/17
YMoC2 ICSD 618370 Pnma (62) ✔ 16 132 3 0.0 0.000 0.492 (0;011) ✗ 02/02/17
ScNiC2 ICSD 618562 P4/nmm (129) ✔ 8 58 3 0.0 0.000 0.711 (0;000) ✗ 27/01/17
PRu ICSD 109139 Pnma (62) ✔ 8 84 3 0.0 0.000 0.331 (0;011) ✗ 27/01/17
NbInSe2 ICSD 640056 P-6m2 (187) ✗ 4 38 2 0.0 0.020 0.401 (0;000) ✔ 06/10/16
YInNi ICSD 59455 P-62m (189) ✗ 9 102 3 0.0 0.000 0.885 ? ✗ 06/10/16
C2SeN2 ICSD 173995 Cmce (64) ✔ 20 96 1 0.0 0.137 0.007 (0;000) ✗ 02/02/17
InPS4 ICSD 23612 I-4 (82) ✗ 6 42 1 0.0 0.012 0.255 (0;001) ✔ 06/10/16
Ti3SiC2 COD 1520829 P6_3/mmc (194) ✔ 12 96 3 0.0 0.013 0.484 (1;000) ✗ 27/01/17
PW ICSD 42056 Pmnb (62) ✔ 8 76 3 0.0 0.003 0.392 (1;011) ✗ 06/10/16
YInPd ICSD 640260 P-62m (189) ✗ 9 102 3 0.0 0.005 0.839 ? ✗ 06/10/16
Sc(AlC)3 ICSD 660402 P6_3/mmc (194) ✔ 14 64 3 0.0 1.377 0.021 (0;000) ✗ 27/01/17
Y2ReC2 ICSD 69098 Pnma (62) ✔ 20 180 3 0.0 0.001 0.456 (1;011) ✗ 02/02/17
Y3AlC3 COD 4341867 Pmma (51) ✔ 14 96 3 0.0 0.007 0.468 (0;101) ✗ 02/02/17
Y(AlC)3 ICSD 606289 P6_3/mmc (194) ✔ 14 64 3 0.0 1.042 0.030 (0;000) ✗ 27/01/17
Ta4AlC3 ICSD 157843 P6_3/mmc (194) ✔ 16 134 3 0.0 0.000 0.909 (1;000) ✗ 27/01/17
ScInPt ICSD 411459 P-62m (189) ✗ 9 102 3 0.0 0.000 0.673 ? ✗ 06/10/16
Y2Cr2C3 ICSD 617562 C2/m (12) ✔ 7 62 3 0.0 0.020 0.313 (0;111) ✗ 27/01/17
YInPt ICSD 415509 P-62m (189) ✗ 9 102 3 0.0 0.022 0.879 ? ✗ 06/10/16
CsMn(CN)3 COD 4314775 Fm-3m (225) ✔ 16 102 3 0.0 0.016 0.649 (0;000) ✗ 02/02/17
TaP2 ICSD 648187 C2/m (12) ✔ 6 46 3 0.0 0.128 0.155 (0;001) ✗ 06/10/16
PH2C3 COD 4323537 Cmcm (63) ✔ 12 38 1 0.0 0.000 0.807 (1;000) ✗ 02/02/17
H2C3S COD 4323536 Cmcm (63) ✔ 12 40 1 0.0 0.002 0.627 (1;110) ✗ 02/02/17
YInPt ICSD 59504 P-62m (189) ✗ 9 102 3 0.0 0.000 0.856 ? ✗ 06/10/16
TaInS2 ICSD 640378 P-6m2 (187) ✗ 4 38 3 0.0 0.012 0.418 (1;100) ✔ 06/10/16
TaInS2 ICSD 74703 P-6m2 (187) ✗ 4 38 3 0.0 0.042 0.397 (1;100) ✔ 06/10/16
Hf2Al3C4 ICSD 161588 P6_3/mmc (194) ✔ 18 98 3 0.0 0.000 0.988 (0;000) ✗ 02/02/17
Zr2Al3C4 ICSD 159411 P6_3/mmc (194) ✔ 18 66 3 0.0 0.000 0.988 (1;000) ✗ 02/02/17
Nb4C3 ICSD 42758 Pm-3m (221) ✔ 7 64 3 0.0 0.018 0.594 (1;111) ✗ 27/01/17
TlInS2 ICSD 640393 P-6m2 (187) ✗ 8 76 3 0.0 0.232 0.283 ? ✗ 06/10/16
Sc3CoC4 COD 2300492 Immm (71) ✔ 8 66 3 0.0 0.006 0.545 (1;111) ✗ 27/01/17
SiRh ICSD 653588 P2_1/c (14) ✔ 8 84 3 0.0 0.703 0.033 (0;000) ✔ 27/01/17
VS ICSD 52212 Pnma (62) ✔ 8 76 3 0.0 0.001 0.771 (0;011) ✗ 27/01/17
TaInSe2 ICSD 640520 P-6m2 (187) ✗ 4 38 3 0.0 0.006 0.346 (0;000) ✔ 06/10/16
Y2FeC4 ICSD 617900 Ibam (72) ✔ 14 92 3 0.0 0.045 0.299 (0;000) ✗ 27/01/17
Sc3IrC4 ICSD 415137 Immm (71) ✔ 8 66 3 0.0 0.024 0.504 (1;111) ✗ 27/01/17
Sc3IrC4 ICSD 657402 Immm (71) ✔ 8 66 3 0.0 0.020 0.462 (1;111) ✗ 27/01/17
Cu(CO)4 ICSD 415406 C2/c (15) ✔ 18 102 3 0.0 0.000 0.504 (1;011) ✗ 02/02/17
Zn(InS2)2 ICSD 15636 R3m (160) ✗ 7 62 2 0.0 0.019 0.068 (1;000) ✔ 06/10/16
Sc3RhC4 ICSD 657400 Immm (71) ✔ 8 66 3 0.0 0.009 0.520 (1;111) ✗ 27/01/17
Ca4Ni3C5 ICSD 71440 C2/m (12) ✔ 12 90 2 0.0 0.047 0.184 (0;000) ✗ 27/01/17
ScAl ICSD 609299 Pm-3m (221) ✔ 2 14 3 0.0 0.031 0.347 (1;111) ✗ 05/01/17
K3ReC4(N2O)2 ICSD 30430 P-1 (2) ✔ 14 90 3 0.0 0.098 0.453 (0;000) ✗ 02/02/17
Nb6C5 ICSD 167353 C2/m (12) ✔ 11 98 3 0.0 0.012 0.610 (0;110) ✗ 27/01/17
C5S3 COD 4109719 Immm (71) ✔ 8 38 1 0.0 0.005 0.705 (0;111) ✗ 27/01/17
SrPb ICSD 105623 Cmcm (63) ✔ 4 48 1 0.0 0.038 0.256 (0;110) ✗ 06/10/16
Zn(InS2)2 ICSD 16974 R3m (160) ✗ 7 62 2 0.0 0.019 0.068 (1;000) ✔ 06/10/16
Ti8C5 ICSD 20822 R-3m (166) ✔ 13 116 3 0.0 0.005 0.110 (1;000) ✗ 27/01/17
Ca2CdPd2 ICSD 425471 Immm (71) ✔ 5 68 3 0.0 0.029 0.632 (0;111) ✗ 27/01/17
Zn(InS2)2 ICSD 42667 R3m (160) ✗ 7 62 2 0.0 0.011 0.068 (1;000) ✔ 06/10/16
Ca2CdPt2 ICSD 424554 Immm (71) ✔ 5 52 3 0.0 0.034 0.602 (0;000) ✗ 27/01/17
Zn(InS2)2 ICSD 44637 P3m1 (156) ✗ 7 62 2 0.0 0.003 0.065 (1;000) ✔ 06/10/16
Hf2Al3C5 ICSD 601454 P6_3/mmc (194) ✔ 20 106 3 0.0 0.000 0.794 (0;000) ✗ 02/02/17
Zr2Al3C5 ICSD 87349 P6_3/mmc (194) ✔ 20 74 3 0.0 0.000 0.853 (1;000) ✗ 02/02/17
Ca2FeN2 ICSD 72389 C2/m (12) ✔ 10 76 1 0.0 0.006 0.480 (0;111) ✗ 27/01/17
Zn(InS2)2 ICSD 603024 R3m (160) ✗ 7 62 2 0.0 0.021 0.068 (1;000) ✔ 06/10/16
TePb ICSD 190438 Pnma (62) ✔ 8 80 3 0.0 0.040 0.112 (0;000) ✗ 02/02/17
YPb2 ICSD 105640 Cmcm (63) ✔ 6 78 3 0.0 0.000 0.685 (0;000) ✗ 06/10/16
Zn(InS2)2 ICSD 640407 R3m (160) ✗ 7 62 2 0.0 0.007 0.206 ? ✗ 06/10/16
Ca2InN COD 1531106 Cmcm (63) ✔ 8 76 1 0.0 0.119 0.326 (0;110) ✗ 27/01/17
SrPIr ICSD 155712 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.533 ? ✗ 06/10/16
SiPd ICSD 15016 Pmnb (62) ✔ 8 56 3 0.0 0.016 0.394 (0;000) ✗ 06/10/16
Ca2PdWO6 ICSD 83258 Fm-3m (225) ✔ 10 88 3 0.0 0.000 0.719 (0;000) ✗ 27/01/17
SnPd ICSD 105683 Pmcn (62) ✔ 8 96 3 0.0 0.007 0.382 (0;000) ✗ 06/10/16
Cs2FeNi(CN)6 ICSD 151706 Fm-3m (225) ✔ 16 90 3 0.0 0.000 0.652 (0;000) ✗ 02/02/17
Sr3(SnIr)4 ICSD 410992 I-43m (217) ✗ 11 122 3 0.0 0.000 0.624 ? ✗ 06/10/16
Cs2LiMn(CN)6 ICSD 68067 Fm-3m (225) ✔ 16 90 2 0.0 0.036 0.629 (0;000) ✗ 02/02/17
K2FeNi(CN)6 COD 1010372 Fm-3m (225) ✔ 16 90 3 0.0 0.000 0.507 (0;000) ✗ 02/02/17
Mn2Fe(CN)6 ICSD 417824 P-3 (147) ✔ 15 92 3 0.0 0.000 0.716 (0;000) ✗ 02/02/17
Ca3GeO ICSD 402087 Pm-3m (221) ✔ 5 40 1 0.0 0.015 0.008 (0;000) ✗ 27/01/17
AgN ICSD 167874 F-43m (216) ✗ 2 16 3 0.0 0.010 0.885 (1;111) ✔ 06/10/16
SnS ICSD 43409 F-43m (216) ✗ 2 20 3 0.0 0.025 0.304 (0;000) ✔ 06/10/16
SnPd ICSD 109415 Pmnb (62) ✔ 8 96 3 0.0 0.018 0.403 (0;000) ✗ 06/10/16
SrPd ICSD 648963 Cmcm (63) ✔ 4 56 3 0.0 0.052 0.090 (0;000) ✗ 27/01/17
RbC8 ICSD 200563 Fddd (70) ✔ 18 82 2 0.0 0.000 0.817 (1;111) ✗ 02/02/17
Y4C5 ICSD 84869 Pbam (55) ✔ 18 128 3 0.0 0.005 0.807 (0;100) ✗ 02/02/17
Ca2FeClO3 ICSD 56880 P4/nmm (129) ✔ 14 106 1 0.0 0.000 0.751 (0;000) ✗ 02/02/17
Ca2CoTeO6 ICSD 153001 P2_1/c (14) ✔ 20 158 3 0.0 0.000 0.864 (0;101) ✗ 02/02/17
Ca2CoWO6 ICSD 98732 P2_1/c (14) ✔ 20 174 3 0.0 0.000 0.983 (0;101) ✗ 02/02/17
KNO2 ICSD 36202 Cm (8) ✗ 4 26 1 0.0 0.017 0.075 (1;100) ✔ 06/10/16
Ca2FeCuSeO3 ICSD 169993 P4/nmm (129) ✔ 16 126 1 0.0 0.000 0.835 (1;001) ✗ 02/02/17
Ca2FeCuSO3 ICSD 169992 P4/nmm (129) ✔ 16 126 1 0.0 0.000 0.902 (1;001) ✗ 02/02/17
Ca2Cu ICSD 108865 Pnma (62) ✔ 12 124 1 0.0 0.000 0.526 (1;011) ✗ 02/02/17
Ca3SbN COD 1527234 Pm-3m (221) ✔ 5 40 3 0.0 0.000 0.154 (0;000) ✗ 27/01/17
Ca2Fe7O11 COD 1524841 C2/m (12) ✔ 20 142 3 0.0 0.003 0.652 (0;001) ✗ 02/02/17
Ca3TlN ICSD 411448 Pm-3m (221) ✔ 5 48 1 0.0 0.000 0.648 (1;000) ✗ 27/01/17
Ca2FeReO6 ICSD 150697 P2_1/c (14) ✔ 20 158 3 0.0 0.000 0.820 (0;101) ✗ 02/02/17
Ca2FeSbO6 ICSD 83473 P2_1/c (14) ✔ 20 138 3 0.0 0.000 0.686 (0;101) ✗ 02/02/17
Ca2Ni3Ge2 ICSD 421074 Pmma (51) ✔ 14 116 2 0.0 0.002 0.884 (1;100) ✗ 02/02/17
Ca3PbO COD 1525462 Pm-3m (221) ✔ 5 50 1 0.0 0.016 0.004 (0;000) ✗ 27/01/17
Ca2GePt2 COD 4002145 C2/c (15) ✔ 10 88 3 0.0 0.058 0.556 (0;000) ✗ 02/02/17
Ca2Hg ICSD 619362 Pnma (62) ✔ 12 128 1 0.0 0.034 0.604 (1;000) ✗ 02/02/17
Ca3SnO COD 1525461 Pm-3m (221) ✔ 5 50 1 0.0 0.019 0.016 (0;000) ✗ 27/01/17
Te2Pd ICSD 42554 P-3m1 (164) ✔ 3 22 3 0.0 0.211 0.316 (1;000) ✗ 06/10/16
Ca2In ICSD 413803 Pnma (62) ✔ 12 132 1 0.0 0.001 0.486 (0;011) ✗ 02/02/17
Ca2IN ICSD 65216 P6_3/mmc (194) ✔ 8 64 1 0.0 0.013 0.142 (1;000) ✗ 02/02/17
Ca2InOsO6 ICSD 190486 P2_1/c (14) ✔ 20 170 3 0.0 0.000 0.600 (0;010) ✗ 02/02/17
Ca2InPd2 ICSD 418202 C2/c (15) ✔ 10 138 3 0.0 0.000 0.480 (0;011) ✗ 02/02/17
Ca2InPt2 ICSD 418203 C2/c (15) ✔ 10 106 3 0.0 0.000 0.337 (0;011) ✗ 02/02/17
Ca2SiIr2 COD 1532211 C2/c (15) ✔ 10 116 3 0.0 0.096 0.412 (0;110) ✗ 02/02/17
Ca3Pb ICSD 58921 Pm-3m (221) ✔ 4 44 1 0.0 0.000 0.240 (1;111) ✗ 27/01/17
Ca2Mn2O5 ICSD 35219 Pbam (55) ✔ 18 160 3 0.0 0.002 0.942 (0;100) ✗ 02/02/17
CaCd2 ICSD 58875 Imma (74) ✔ 6 68 3 0.0 0.019 0.523 (1;111) ✗ 27/01/17
Ca2TaMnO6 ICSD 246091 P2_1/m (11) ✔ 20 168 3 0.0 0.006 0.468 (1;000) ✗ 02/02/17
Ca2MnWO6 ICSD 51615 P2_1/c (14) ✔ 20 170 3 0.0 0.000 0.904 (0;010) ✗ 02/02/17
TiPd ICSD 167648 Pmmb (51) ✔ 4 44 3 0.0 0.012 0.602 (0;100) ✗ 06/10/16
Ca(CdSb)2 COD 7221360 P-3m1 (164) ✔ 5 44 2 0.0 0.081 0.045 (0;000) ✗ 27/01/17
Ca2NiWO6 ICSD 155734 P2_1/c (14) ✔ 20 160 2 0.0 0.135 0.107 (0;000) ✗ 02/02/17
Ca2NiWO6 ICSD 160110 P2_1/c (14) ✔ 20 160 3 0.0 0.037 0.636 (0;000) ✗ 02/02/17
CaCd ICSD 619188 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.668 (0;111) ✗ 27/01/17
YPd ICSD 169021 Cmcm (63) ✔ 4 58 3 0.0 0.000 0.814 (0;110) ✗ 27/01/17
Ca2Pb ICSD 58920 Pnma (62) ✔ 12 136 1 0.0 0.069 0.004 (0;000) ✗ 02/02/17
ZrPd ICSD 186411 Ccmm (63) ✔ 4 44 3 0.0 0.030 0.330 (1;000) ✗ 06/10/16
MnNiP ICSD 600852 P-62m (189) ✗ 9 90 3 0.0 0.000 0.646 ? ✗ 06/10/16
Ca3CrN3 COD 1005045 Cmcm (63) ✔ 14 118 1 0.0 0.000 0.509 (0;000) ✗ 02/02/17
Ca3Zn2(CuP2)2 ICSD 89515 P-3m1 (164) ✔ 11 96 2 0.0 0.092 0.010 (0;000) ✗ 02/02/17
CaFeClO2 ICSD 96556 C2/m (12) ✔ 10 74 1 0.0 0.021 0.595 (0;000) ✗ 27/01/17
CaCl COD 9008985 P4/nmm (129) ✔ 4 34 1 0.0 0.000 0.749 (1;001) ✗ 27/01/17
Ca3Ga5 ICSD 58894 Cmcm (63) ✔ 16 190 3 0.0 0.000 0.935 (0;110) ✗ 02/02/17
Ca3GeO ICSD 413383 Imma (74) ✔ 10 80 1 0.0 0.015 0.010 (0;000) ✗ 02/02/17
Ca3H2Pb ICSD 165616 Cmcm (63) ✔ 12 92 1 0.0 0.005 0.020 (0;000) ✗ 02/02/17
Ca(CoGe)2 ICSD 406 I4/mmm (139) ✔ 5 52 3 0.0 0.024 0.628 (1;111) ✗ 27/01/17
Ca3Hg2 ICSD 58904 P4/mbm (127) ✔ 10 108 1 0.0 0.006 0.759 (0;000) ✗ 02/02/17
Ca3MnN3 ICSD 67888 Cmcm (63) ✔ 14 120 1 0.0 0.012 0.594 (0;000) ✗ 02/02/17
Ca(CoP)2 ICSD 10462 I4/mmm (139) ✔ 5 54 2 0.0 0.019 0.401 (0;111) ✗ 27/01/17
Ca(CoSi)2 ICSD 420974 I4/mmm (139) ✔ 5 52 3 0.0 0.022 0.623 (1;111) ✗ 27/01/17
Ca3ReO6 ICSD 84791 P2_1/c (14) ✔ 20 162 1 0.0 0.000 0.860 (0;101) ✗ 02/02/17
CaCoSi ICSD 428148 P4/nmm (129) ✔ 6 62 1 0.0 0.000 0.814 (0;001) ✗ 27/01/17
TiPt ICSD 184442 Pmma (51) ✔ 4 44 3 0.0 0.021 0.686 (1;001) ✗ 27/01/17
CaCuSb ICSD 42137 P6_3/mmc (194) ✔ 6 52 2 0.0 0.463 0.122 (0;000) ✗ 27/01/17
Ca3Pd2 ICSD 619502 R-3 (148) ✔ 15 198 2 0.0 0.025 0.742 (0;000) ✗ 02/02/17
Ca3Pt2 ICSD 619512 R-3 (148) ✔ 15 150 3 0.0 0.072 0.621 (0;000) ✗ 02/02/17
CaCrF5 COD 1525475 C2/c (15) ✔ 14 118 1 0.0 0.001 0.567 (1;011) ✗ 27/01/17
Ca5CdCu2 ICSD 423251 I4/mcm (140) ✔ 16 168 1 0.0 0.004 0.614 (0;001) ✗ 02/02/17
Ca5CuPb3 ICSD 240159 P-3c1 (165) ✔ 18 206 1 0.0 0.000 0.617 (1;000) ✗ 02/02/17
Ca5FePb3 ICSD 240158 P6_3/mcm (193) ✔ 18 200 1 0.0 0.005 0.383 (0;000) ✗ 02/02/17
Ca5Ga3 ICSD 619275 I4/mcm (140) ✔ 16 178 1 0.0 0.000 0.687 (1;111) ✗ 02/02/17
Ca5Ge3H COD 1525752 I4/mcm (140) ✔ 18 126 1 0.0 0.002 0.636 (0;000) ✗ 02/02/17
Ca5Ge3 COD 1525750 I4/mcm (140) ✔ 16 124 1 0.0 0.004 0.374 (0;000) ✗ 02/02/17
Ca5(GePd)6 COD 4344105 Im-3m (229) ✔ 17 182 3 0.0 0.000 0.892 (0;111) ✗ 02/02/17
Ca5Sn3H ICSD 165190 I4/mcm (140) ✔ 18 186 1 0.0 0.001 0.470 (0;000) ✗ 02/02/17
CaCrF6 COD 1525280 R-3 (148) ✔ 8 66 1 0.0 0.021 0.350 (0;000) ✗ 27/01/17
Ca5Pb3 ICSD 619480 P6_3/mcm (193) ✔ 16 184 1 0.0 0.001 0.500 (1;000) ✗ 02/02/17
Ca5Pd2 ICSD 619503 C2/c (15) ✔ 14 172 2 0.0 0.016 0.327 (0;000) ✗ 02/02/17
Ca5Pt2 ICSD 619513 C2/c (15) ✔ 14 140 2 0.0 0.007 0.336 (0;000) ✗ 02/02/17
Ca5Pt3 ICSD 619514 I4/mcm (140) ✔ 16 160 1 0.0 0.008 0.618 (1;111) ✗ 02/02/17
Ca5Sb3 COD 4002403 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.542 (1;000) ✗ 02/02/17
Ca5Si3 COD 1525743 I4/mcm (140) ✔ 16 124 1 0.0 0.004 0.411 (0;000) ✗ 02/02/17
Ca5Zn3 ICSD 619631 I4/mcm (140) ✔ 16 172 1 0.0 0.002 0.600 (0;111) ✗ 02/02/17
Ca7Ge ICSD 43321 Fm-3m (225) ✔ 8 74 1 0.0 0.001 0.776 (1;000) ✗ 02/02/17
CaCd2 ICSD 619190 P6_3/mmc (194) ✔ 12 136 3 0.0 0.001 0.544 (1;001) ✗ 02/02/17
CaCdPd ICSD 426611 Pnma (62) ✔ 12 160 3 0.0 0.030 0.494 (1;000) ✗ 02/02/17
CaCdPt ICSD 426610 Pnma (62) ✔ 12 128 3 0.0 0.049 0.562 (1;000) ✗ 02/02/17
Ca(CuGe)2 ICSD 619230 I4/mmm (139) ✔ 5 40 3 0.0 0.030 0.787 (0;000) ✗ 27/01/17
CaCu2O3 COD 2002243 Pmmn (59) ✔ 12 100 3 0.0 0.009 0.954 (0;000) ✗ 27/01/17
Ca(ClO)2 COD 9008001 Ccce (68) ✔ 20 144 1 0.0 0.021 0.172 (1;000) ✗ 02/02/17
Ca(CuP)2 ICSD 41756 I4/mmm (139) ✔ 5 42 2 0.0 0.004 0.354 (1;111) ✗ 27/01/17
CaGa3Co2 ICSD 619207 Cmcm (63) ✔ 12 166 3 0.0 0.000 0.776 (0;000) ✗ 02/02/17
MgCl2 ICSD 51246 C2cm (40) ✗ 6 48 2 0.0 0.022 0.250 (1;000) ✔ 06/10/16
CaCo(SiO3)2 COD 9003415 C2/c (15) ✔ 20 142 3 0.0 0.000 0.608 (1;101) ✗ 02/02/17
LiCaCrF6 ICSD 73985 P-31c (163) ✔ 18 138 2 0.0 0.000 0.574 (0;000) ✗ 02/02/17
CaCrO3 ICSD 245840 Pnma (62) ✔ 20 168 3 0.0 0.003 0.479 (0;000) ✗ 02/02/17
Ni2B ICSD 30448 I4/mcm (140) ✔ 6 46 3 0.0 0.001 0.838 (0;111) ✗ 06/10/16
YPt ICSD 649793 Pmnb (62) ✔ 8 84 3 0.0 0.000 0.599 (1;011) ✗ 06/10/16
Ca(Cu2P)2 ICSD 62553 P4_2/mnm (136) ✔ 14 128 3 0.0 0.021 0.267 (1;000) ✗ 02/02/17
CaCu(GeO3)2 COD 2100257 C2/c (15) ✔ 20 130 3 0.0 0.000 0.281 (0;010) ✗ 02/02/17
CaCu ICSD 619217 P2_1/m (11) ✔ 20 210 3 0.0 0.000 0.916 (1;000) ✗ 02/02/17
LiMnSe2 ICSD 50817 P3m1 (156) ✗ 4 30 1 0.0 0.002 0.677 (1;100) ✔ 06/10/16
CaTiF5 ICSD 49529 C2/c (15) ✔ 14 114 1 0.0 0.000 0.903 (1;101) ✗ 02/02/17
Ca(SiCu)2 ICSD 619238 I4/mmm (139) ✔ 5 40 3 0.0 0.025 0.779 (0;000) ✗ 27/01/17
LiCaNiF6 ICSD 32732 P-31c (163) ✔ 18 130 1 0.0 0.000 0.767 (0;000) ✗ 02/02/17
Ca(CuSn)2 ICSD 417717 C2/m (12) ✔ 5 60 3 0.0 0.067 0.632 (1;000) ✗ 27/01/17
CaCuF4 ICSD 9928 I4/mcm (140) ✔ 12 98 1 0.0 0.001 0.620 (0;000) ✗ 27/01/17
Ca(FeSb3)4 ICSD 248622 Im3 (204) ✔ 17 102 3 0.0 0.010 0.669 (0;000) ✗ 02/02/17
VPt ICSD 649822 Pmmb (51) ✔ 4 46 3 0.0 0.000 0.819 (0;101) ✗ 06/10/16
CaFeO3 COD 1526751 Pnma (62) ✔ 20 144 3 0.0 0.001 0.551 (0;000) ✗ 02/02/17
LiMnTe2 ICSD 110773 P3m1 (156) ✗ 4 30 1 0.0 0.002 0.716 (1;100) ✔ 06/10/16
CaIn2Cu COD 1528108 Cmcm (63) ✔ 8 94 3 0.0 0.000 0.762 (0;110) ✗ 27/01/17
CaCuP ICSD 49740 P6_3/mmc (194) ✔ 6 52 3 0.0 0.861 0.050 (0;000) ✗ 27/01/17
LiNiN ICSD 247028 P-6m2 (187) ✗ 3 18 3 0.0 0.000 0.971 (1;100) ✔ 06/10/16
CaGaGe ICSD 166384 P6_3/mmc (194) ✔ 12 108 1 0.0 0.046 0.444 (0;000) ✗ 02/02/17
YS ICSD 69042 Fmm2 (42) ✗ 4 34 2 0.0 0.003 0.567 (0;111) ✔ 06/10/16
CaGaPt COD 1527281 Pnma (62) ✔ 12 132 3 0.0 0.010 0.817 (0;011) ✗ 02/02/17
CaGaSn ICSD 619297 P6_3/mmc (194) ✔ 12 148 1 0.0 0.026 0.626 (1;000) ✗ 02/02/17
LiCaGe2 ICSD 25328 Pnma (62) ✔ 16 84 1 0.0 0.001 0.779 (0;011) ✗ 02/02/17
ZrPt ICSD 649884 Cmcm (63) ✔ 4 28 3 0.0 0.027 0.426 (0;000) ✗ 27/01/17
CaGe2Pt ICSD 600498 Immm (71) ✔ 16 112 3 0.0 0.022 0.840 (0;000) ✗ 02/02/17
CaGe3 ICSD 262736 I4/mmm (139) ✔ 16 88 1 0.0 0.007 0.607 (0;111) ✗ 02/02/17
CaMgGe ICSD 42456 Pnma (62) ✔ 12 96 1 0.0 0.026 0.051 (0;000) ✗ 02/02/17
LiNiN ICSD 411151 P-6m2 (187) ✗ 3 18 1 0.0 0.000 0.968 (1;100) ✔ 06/10/16
Na5LiN2 ICSD 92315 C2 (5) ✗ 8 58 1 0.0 0.017 0.003 (1;000) ✔ 06/10/16
CaGePt COD 1527356 Pnma (62) ✔ 12 96 3 0.0 0.054 0.521 (1;000) ✗ 02/02/17
TaPt2 ICSD 105802 Ccmm (63) ✔ 6 66 3 0.0 0.000 0.632 (1;110) ✗ 06/10/16
Na5LiN2 ICSD 92316 P1 (1) ✗ 8 58 3 0.0 0.039 0.116 (0;000) ✔ 06/10/16
Ca(FeP)2 COD 7221157 I4/mmm (139) ✔ 5 36 2 0.0 0.003 0.585 (1;000) ✗ 27/01/17
Rb ICSD 109019 Cmce (64) ✔ 8 72 3 0.0 0.019 0.537 (1;110) ✗ 27/01/17
Ca(FeSi)2 ICSD 425467 I4/mmm (139) ✔ 5 34 3 0.0 0.011 0.645 (1;000) ✗ 27/01/17
WO2 COD 5910153 Cmmm (65) ✔ 6 52 3 0.0 0.042 0.443 (0;110) ✗ 27/01/17
CaFeO2 COD 4124115 P4/mmm (123) ✔ 4 30 2 0.0 0.009 0.726 (0;000) ✗ 27/01/17
CaGa2 ICSD 58891 P6_3/mmc (194) ✔ 6 72 2 0.0 0.018 0.221 (0;000) ✗ 27/01/17
CaGa2 ICSD 619281 Cmmm (65) ✔ 9 108 1 0.0 0.000 0.584 (0;011) ✗ 27/01/17
CaIn4Ir ICSD 410892 Pmma (51) ✔ 12 158 3 0.0 0.000 0.848 (1;100) ✗ 02/02/17
CaIn4Ni COD 1528112 Cmcm (63) ✔ 12 144 3 0.0 0.004 0.793 (1;110) ✗ 02/02/17
CaIn4Pd ICSD 410890 Cmcm (63) ✔ 12 160 3 0.0 0.010 0.814 (1;110) ✗ 02/02/17
CaIn4Rh ICSD 410891 Pmma (51) ✔ 12 158 3 0.0 0.000 0.863 (0;100) ✗ 02/02/17
CaIn ICSD 414231 I4/mmm (139) ✔ 8 92 1 0.0 0.000 0.494 (0;111) ✗ 02/02/17
CaInPd ICSD 58689 Pnma (62) ✔ 12 164 3 0.0 0.001 0.889 (0;011) ✗ 02/02/17
CaInPt COD 1527282 Pnma (62) ✔ 12 132 3 0.0 0.000 0.828 (0;011) ✗ 02/02/17
CaInRh ICSD 410841 Pnma (62) ✔ 12 160 3 0.0 0.010 0.691 (1;000) ✗ 02/02/17
CaIrO3 ICSD 159433 Pnma (62) ✔ 20 180 3 0.0 0.001 0.166 (0;110) ✗ 02/02/17
Sr2CaIrO6 ICSD 79451 P2_1/c (14) ✔ 20 166 2 0.0 0.000 0.770 (0;010) ✗ 02/02/17
K2Ca(NO2)4 ICSD 85505 C2/m (12) ✔ 15 96 1 0.0 0.009 0.648 (1;001) ✗ 02/02/17
Zr5Al3C ICSD 606294 P6_3/mcm (193) ✔ 18 66 3 0.0 0.000 0.866 (1;000) ✗ 02/02/17
Li2Ca ICSD 619389 P6_3/mmc (194) ✔ 12 64 1 0.0 0.000 0.659 (1;000) ✗ 02/02/17
Li2Ca COD 1527864 P6_3/mmc (194) ✔ 12 64 1 0.0 0.001 0.548 (1;000) ✗ 02/02/17
CaGa2Ni COD 8103269 Cmcm (63) ✔ 8 92 3 0.0 0.006 0.691 (1;000) ✗ 27/01/17
LiCaSi2 ICSD 25327 Pnma (62) ✔ 16 84 1 0.0 0.000 0.766 (0;011) ✗ 02/02/17
CaMg2 COD 4313238 P6_3/mmc (194) ✔ 12 120 1 0.0 0.001 0.548 (1;000) ✗ 02/02/17
CaGa3Ni2 ICSD 58898 Cmcm (63) ✔ 12 138 3 0.0 0.000 0.886 (0;110) ✗ 27/01/17
CaGa4 ICSD 58892 I4/mmm (139) ✔ 5 62 3 0.0 0.002 0.293 (1;000) ✗ 27/01/17
CaGa ICSD 619272 Cmcm (63) ✔ 4 46 1 0.0 0.000 0.934 (0;110) ✗ 27/01/17
CaMgPb ICSD 619403 Pnma (62) ✔ 12 136 3 0.0 0.010 0.172 (0;000) ✗ 02/02/17
CaMgSi COD 4000954 Pnma (62) ✔ 12 96 3 0.0 0.012 0.072 (0;000) ✗ 02/02/17
CaMgSn ICSD 659600 Pnma (62) ✔ 12 136 3 0.0 0.007 0.147 (0;000) ✗ 02/02/17
CaMn(SiO3)2 COD 9000152 C2/c (15) ✔ 20 138 3 0.0 0.000 0.425 (1;101) ✗ 02/02/17
CaMnSb2 ICSD 52705 Pmmn (59) ✔ 8 70 1 0.0 0.000 0.954 (0;001) ✗ 02/02/17
Ca(Mo3S4)2 ICSD 62388 R-3 (148) ✔ 15 142 3 0.0 0.041 0.702 (1;000) ✗ 02/02/17
CaMoO3 COD 1528660 Pnma (62) ✔ 20 168 3 0.0 0.016 0.488 (0;000) ✗ 02/02/17
CaNbO3 ICSD 51202 Pnma (62) ✔ 20 164 3 0.0 0.002 0.622 (0;110) ✗ 02/02/17
CaZn3Ni2 ICSD 245512 P6/mmm (191) ✔ 18 198 3 0.0 0.001 0.950 (1;001) ✗ 02/02/17
Ca(Ni2Sn)2 ICSD 418133 I4/mcm (140) ✔ 14 156 3 0.0 0.000 0.435 (1;111) ✗ 02/02/17
CaSi2NiO6 COD 9001303 C2/c (15) ✔ 20 128 3 0.0 0.007 0.582 (1;000) ✗ 02/02/17
CaV4(PdO4)3 ICSD 237495 Im3 (204) ✔ 20 188 3 0.0 0.000 0.826 (0;111) ✗ 02/02/17
CaGaN COD 2106735 P4/nmm (129) ✔ 6 56 1 0.0 0.003 0.529 (1;000) ✗ 27/01/17
CaRhO3 ICSD 164775 Pnma (62) ✔ 20 180 3 0.0 0.005 0.554 (0;110) ✗ 02/02/17
CaGe2 ICSD 619304 R-3m (166) ✔ 6 36 1 0.0 0.027 0.180 (1;000) ✗ 27/01/17
CaGe2 ICSD 77316 R-3m (166) ✔ 3 18 1 0.0 0.016 0.347 (0;000) ✗ 27/01/17
CaTcO3 COD 4105648 Pnma (62) ✔ 20 172 0 0.0 0.000 0.313 (0;110) ✗ 02/02/17
TcB ICSD 168895 P-6m2 (187) ✗ 2 18 3 0.0 0.000 0.545 (1;100) ✔ 06/10/16
CaVO3 COD 4336390 Pnma (62) ✔ 20 164 3 0.0 0.001 0.649 (0;110) ✗ 02/02/17
TiS2 ICSD 79803 C2/m (12) ✔ 3 24 2 0.0 0.377 0.035 (0;000) ✔ 06/10/16
CaV2O5 ICSD 82689 Pmmn (59) ✔ 16 132 2 0.0 0.028 0.223 (0;000) ✗ 02/02/17
Sr2CaReO6 ICSD 182568 P2_1/c (14) ✔ 20 162 1 0.0 0.000 0.974 (0;010) ✗ 02/02/17
ReTe2 ICSD 650162 P-1 (2) ✔ 12 108 2 0.0 0.026 0.311 (0;000) ✗ 02/02/17
CaSO6 COD 9015350 C2/c (15) ✔ 16 104 1 0.0 0.006 0.453 (0;000) ✗ 02/02/17
SiRh ICSD 108722 Pmnb (62) ✔ 8 84 3 0.0 0.001 0.174 (0;011) ✗ 06/10/16
V5As3C ICSD 609885 P6_3/mcm (193) ✔ 18 168 3 0.0 0.001 0.842 (1;000) ✗ 02/02/17
Ca(GeIr)2 ICSD 52755 I4/mmm (139) ✔ 5 52 3 0.0 0.072 0.573 (1;111) ✗ 27/01/17
CaPdPb ICSD 602349 Pnma (62) ✔ 12 168 3 0.0 0.101 0.491 (1;000) ✗ 02/02/17
CaPtPb ICSD 602366 Pnma (62) ✔ 12 136 3 0.0 0.088 0.430 (1;000) ✗ 02/02/17
Ca(MnGe)2 ICSD 81743 I4/mmm (139) ✔ 5 48 3 0.0 0.001 0.817 (1;000) ✗ 27/01/17
CaSiPd ICSD 69790 P2_1/c (14) ✔ 12 128 3 0.0 0.014 0.135 (1;000) ✗ 02/02/17
CaSnPd ICSD 58690 Pnma (62) ✔ 12 168 3 0.0 0.015 0.409 (1;000) ✗ 02/02/17
Ca(NiGe)2 ICSD 408 I4/mmm (139) ✔ 5 38 3 0.0 0.011 0.725 (0;111) ✗ 27/01/17
CaNiGe2 ICSD 240342 Cmcm (63) ✔ 8 56 3 0.0 0.008 0.712 (0;110) ✗ 27/01/17
CaPt2 ICSD 619516 P6_3/mmc (194) ✔ 12 120 3 0.0 0.004 0.431 (1;000) ✗ 02/02/17
CaSbPt ICSD 60830 Pnma (62) ✔ 12 100 3 0.0 0.004 0.775 (0;011) ✗ 02/02/17
CaSiPt ICSD 72641 P2_1/c (14) ✔ 12 96 3 0.0 0.128 0.101 (1;000) ✗ 02/02/17
CaSiPt ICSD 72642 Pnma (62) ✔ 12 96 3 0.0 0.046 0.529 (1;000) ✗ 02/02/17
CaSnPt ICSD 602355 Pnma (62) ✔ 12 136 3 0.0 0.022 0.419 (1;000) ✗ 02/02/17
Ca(GePd)2 ICSD 52759 I4/mmm (139) ✔ 5 54 3 0.0 0.005 0.701 (0;000) ✗ 27/01/17
Ca(GeRh)2 ICSD 52760 I4/mmm (139) ✔ 5 52 3 0.0 0.013 0.621 (1;111) ✗ 27/01/17
CaSi3 ICSD 263004 I4/mmm (139) ✔ 16 88 1 0.0 0.003 0.736 (0;111) ✗ 02/02/17
Ca(GeRu)2 ICSD 52761 I4/mmm (139) ✔ 5 50 3 0.0 0.002 0.499 (1;000) ✗ 27/01/17
VRh ICSD 169386 Cmmm (65) ✔ 4 60 3 0.0 0.013 0.551 (0;111) ✗ 27/01/17
CaZn2 ICSD 418878 P6_3/mmc (194) ✔ 12 136 3 0.0 0.009 0.605 (0;000) ✗ 02/02/17
Ca(ZnGe)2 ICSD 25319 I4/mmm (139) ✔ 5 42 3 0.0 0.031 0.386 (1;111) ✗ 27/01/17
BaMnCO3F2 COD 1100121 P6_3/m (176) ✔ 16 122 2 0.0 0.000 0.877 (0;000) ✗ 02/02/17
CaNiGeH ICSD 263028 P4/nmm (129) ✔ 8 50 1 0.0 0.000 0.741 (1;000) ✗ 27/01/17
CaMnGe ICSD 66957 P4/nmm (129) ✔ 6 58 2 0.0 0.000 0.865 (1;000) ✗ 27/01/17
CaMnGe COD 9008361 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.847 (0;000) ✗ 27/01/17
ZrRh ICSD 105979 Pmnb (62) ✔ 8 116 3 0.0 0.000 0.481 (1;011) ✗ 06/10/16
CaNiGe ICSD 418852 P4/nmm (129) ✔ 6 48 2 0.0 0.002 0.796 (0;001) ✗ 27/01/17
CaZnGe ICSD 52772 P6_3/mmc (194) ✔ 6 52 2 0.0 0.183 0.172 (0;000) ✗ 27/01/17
ZrRh ICSD 163454 Cmcm (63) ✔ 8 84 3 0.0 0.013 0.482 (1;000) ✗ 27/01/17
SbRu ICSD 990 Pmnb (62) ✔ 8 84 3 0.0 0.001 0.549 (0;011) ✗ 06/10/16
CdSe ICSD 181026 Fm-3m (225) ✔ 2 18 3 0.0 1.749 0.105 (0;000) ✗ 27/01/17
AgCNO ICSD 27678 Cmmm (65) ✔ 4 26 1 0.0 0.106 0.264 (0;110) ✗ 27/01/17
LiReO3 ICSD 35012 R3c (161) ✗ 10 72 3 0.0 0.000 0.563 (0;000) ✔ 05/12/16
Ca(HO)4 COD 2101033 P6/mmm (191) ✔ 9 38 1 0.0 0.002 0.764 (0;000) ✗ 27/01/17
CaHg2 ICSD 58901 P6/mmm (191) ✔ 3 34 3 0.0 0.006 0.481 (1;001) ✗ 27/01/17
CaHg2 ICSD 619359 P-3m1 (164) ✔ 3 34 3 0.0 0.006 0.138 (0;000) ✗ 27/01/17
CaHg3 ICSD 619356 P6_3/mmc (194) ✔ 8 92 3 0.0 0.004 0.603 (0;000) ✗ 27/01/17
CaHg ICSD 58900 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.600 (1;000) ✗ 27/01/17
CaHgPb COD 1527796 P6_3/mmc (194) ✔ 6 72 3 0.0 0.007 0.301 (1;000) ✗ 27/01/17
CaSnHg ICSD 659596 P6_3/mmc (194) ✔ 6 72 2 0.0 0.006 0.346 (1;000) ✗ 27/01/17
TiS3 ICSD 42072 P2_1/m (11) ✔ 8 60 2 0.0 0.119 0.107 (0;000) ✔ 06/10/16
SnS ICSD 52107 Fm-3m (225) ✔ 2 20 3 0.0 0.104 0.037 (0;000) ✗ 27/01/17
CaIn2 ICSD 414232 P6_3/mmc (194) ✔ 6 72 3 0.0 0.051 0.245 (1;000) ✗ 27/01/17
Zr3Cd2 COD 2106134 Pmmm (47) ✔ 5 36 2 0.0 0.003 0.647 (1;001) ✗ 02/02/17
CaIn2 ICSD 58906 P6_3/mmc (194) ✔ 6 72 3 0.0 0.009 0.299 (0;000) ✗ 27/01/17
CaIn2Ni ICSD 619378 Cmcm (63) ✔ 8 92 3 0.0 0.016 0.719 (1;110) ✗ 27/01/17
CaIn2Pd ICSD 408881 Cmcm (63) ✔ 8 108 3 0.0 0.020 0.665 (0;110) ✗ 27/01/17
CaIn2Pt ICSD 408880 Cmcm (63) ✔ 8 92 3 0.0 0.019 0.734 (0;000) ✗ 27/01/17
Cd3P2 COD 1010127 Pn-3m (224) ✔ 10 92 3 0.0 0.005 0.246 (1;000) ✗ 02/02/17
Sr5Cd3 COD 1527309 I4/mcm (140) ✔ 16 172 1 0.0 0.006 0.538 (0;111) ✗ 02/02/17
Sr(Cd2Pt)2 COD 4334059 P4_2/mnm (136) ✔ 14 156 3 0.0 0.021 0.964 (1;000) ✗ 02/02/17
ScCd7 ICSD 55553 Cmcm (63) ✔ 16 190 3 0.0 0.000 0.934 (1;110) ✗ 02/02/17
CaIr2 ICSD 108146 Fd-3m (227) ✔ 6 88 3 0.0 0.004 0.436 (0;000) ✗ 27/01/17
CdNCl3 COD 9014544 Pnma (62) ✔ 20 152 2 0.0 0.005 0.361 (0;000) ✗ 02/02/17
CaIrO3 ICSD 159026 Cmcm (63) ✔ 10 90 3 0.0 0.000 0.731 (0;110) ✗ 27/01/17
NiSbS ICSD 44606 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.571 ? ✗ 06/10/16
CaIrO3 COD 9010366 Cmcm (63) ✔ 10 90 2 0.0 0.000 0.401 (0;000) ✗ 27/01/17
CaSn2Ir ICSD 410773 Cmcm (63) ✔ 8 110 3 0.0 0.000 0.845 (0;110) ✗ 27/01/17
AlCo3C ICSD 43847 Pm-3m (221) ✔ 5 58 3 0.0 0.000 0.236 (0;111) ✗ 27/01/17
AlCr2C ICSD 42918 P6_3/mmc (194) ✔ 8 70 3 0.0 0.000 0.937 (1;000) ✗ 27/01/17
LiYSi ICSD 262362 P-62m (189) ✗ 9 54 3 0.0 0.007 0.140 (1;000) ✔ 06/10/16
Li2Ca ICSD 413207 Fd-3m (227) ✔ 6 32 1 0.0 0.001 0.744 (0;000) ✗ 27/01/17
LiYSi ICSD 32028 P-62m (189) ✗ 9 54 0 0.0 0.005 0.147 (1;000) ✔ 06/10/16
Cr2CdS4 ICSD 657592 Fd-3m (227) ✔ 14 128 3 0.0 0.012 0.195 (0;000) ✗ 02/02/17
Cr2CdSe4 COD 9012053 Fd-3m (227) ✔ 14 128 3 0.0 0.007 0.094 (0;000) ✗ 02/02/17
Mn3AlC ICSD 606226 Pm-3m (221) ✔ 5 52 3 0.0 0.000 0.367 (1;000) ✗ 27/01/17
VS ICSD 24564 Pmcn (62) ✔ 8 76 3 0.0 0.001 0.657 (0;011) ✗ 06/10/16
TiS2 ICSD 181502 Pmnn (58) ✔ 6 48 3 0.0 0.036 0.100 (1;000) ✗ 06/10/16
Li2ReO3 ICSD 200999 R3c (161) ✗ 12 78 3 0.0 0.001 0.327 (0;111) ✔ 05/12/16
Nb2AlC ICSD 606236 P6_3/mmc (194) ✔ 8 66 3 0.0 0.000 0.888 (1;000) ✗ 27/01/17
CdInGaS4 ICSD 20785 P-3m1 (164) ✔ 14 124 1 0.0 0.001 0.124 (0;000) ✗ 02/02/17
Y2CdGe2 ICSD 424169 P4/mbm (127) ✔ 10 84 3 0.0 0.009 0.462 (1;000) ✗ 02/02/17
Sc3AlC ICSD 606250 Pm-3m (221) ✔ 5 40 3 0.0 0.000 0.131 (1;000) ✗ 27/01/17
Ta2AlC ICSD 606258 P6_3/mmc (194) ✔ 8 66 3 0.0 0.000 0.900 (1;000) ✗ 27/01/17
SrCdGe ICSD 619960 Pnma (62) ✔ 12 104 3 0.0 0.024 0.078 (1;000) ✗ 02/02/17
AlV2C ICSD 606283 P6_3/mmc (194) ✔ 8 66 3 0.0 0.000 0.902 (1;000) ✗ 27/01/17
Y3AlC ICSD 43869 Pm-3m (221) ✔ 5 40 3 0.0 0.001 0.130 (1;000) ✗ 27/01/17
Ca(MnP)2 ICSD 49017 P-3m1 (164) ✔ 5 50 2 0.0 0.013 0.494 (1;001) ✗ 27/01/17
VS2 ICSD 77832 Ccmm (63) ✔ 6 50 2 0.0 0.000 1.000 (1;000) ✗ 06/10/16
Ca(MnSb)2 ICSD 416093 P-3m1 (164) ✔ 5 50 2 0.0 0.008 0.559 (1;001) ✗ 27/01/17
CaMnSi ICSD 66949 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.851 (0;001) ✗ 27/01/17
CaMnSi ICSD 66955 P4/nmm (129) ✔ 6 58 2 0.0 0.000 0.863 (1;000) ✗ 27/01/17
CaMnSn ICSD 66950 P4/nmm (129) ✔ 6 78 1 0.0 0.000 0.845 (0;001) ✗ 27/01/17
YS2 ICSD 52216 Fd-3m (227) ✔ 6 46 3 0.0 0.000 0.796 (0;000) ✗ 27/01/17
CaMnSn ICSD 66959 P4/nmm (129) ✔ 6 78 2 0.0 0.000 0.924 (1;000) ✗ 27/01/17
RuCl3 ICSD 414041 Cmcm (63) ✔ 8 74 1 0.0 0.000 0.794 (0;110) ✔ 02/02/17
TlSb ICSD 184577 F-43m (216) ✗ 2 18 3 0.0 0.000 0.220 (0;000) ✔ 06/10/16
YS2 ICSD 651404 P4/nmm (129) ✔ 6 46 3 0.0 0.000 0.824 (0;000) ✗ 27/01/17
Sb2Te ICSD 69557 P-3m1 (164) ✔ 9 48 3 0.0 0.135 0.063 (1;000) ✗ 02/02/17
NaLi5N2 ICSD 92314 Pm (6) ✗ 8 34 1 0.0 0.133 0.003 (0;000) ✔ 06/10/16
Li5(NiN)3 ICSD 411152 P-62m (189) ✗ 11 60 1 0.0 0.000 0.970 ? ✗ 06/10/16
Cd(Mo3S4)2 ICSD 620169 R-3 (148) ✔ 15 144 3 0.0 0.011 0.845 (1;000) ✗ 02/02/17
Cd(Mo3Se4)2 ICSD 620172 R-3 (148) ✔ 15 144 3 0.0 0.003 0.599 (1;000) ✗ 02/02/17
Na2CdSn COD 7221227 P6_3/mmc (194) ✔ 8 88 1 0.0 0.037 0.109 (0;000) ✗ 02/02/17
CaNi2 ICSD 58915 Fd-3m (227) ✔ 6 60 3 0.0 0.000 0.485 (0;000) ✗ 27/01/17
NaCdSb ICSD 12159 Pnma (62) ✔ 12 104 3 0.0 0.017 0.020 (1;000) ✗ 02/02/17
Ca(SiNi)2 COD 1521052 I4/mmm (139) ✔ 5 38 3 0.0 0.011 0.695 (0;111) ✗ 27/01/17
NaLi5Sn4 ICSD 12142 R3m (160) ✗ 10 80 2 0.0 0.016 0.377 ? ✗ 06/10/16
CaSiNi2 ICSD 412411 P6_3/mmc (194) ✔ 8 68 3 0.0 0.006 0.599 (1;000) ✗ 27/01/17
Ca(NiO2)4 ICSD 40470 R-3m (166) ✔ 13 98 2 0.0 0.000 0.800 (1;111) ✗ 27/01/17
CdTcO3 ICSD 180009 Pnma (62) ✔ 20 180 3 0.0 0.001 0.355 (0;110) ✗ 02/02/17
VCdO3 COD 1528346 Pnma (62) ✔ 20 172 3 0.0 0.000 0.658 (0;110) ✗ 02/02/17
Mg(P2Rh3)2 ICSD 89610 P-6m2 (187) ✗ 11 132 3 0.0 0.002 0.304 ? ✗ 06/10/16
CaNi5 ICSD 619447 P6/mmm (191) ✔ 6 60 3 0.0 0.002 0.538 (1;001) ✗ 27/01/17
CaNiN COD 1005001 P4_2/mmc (131) ✔ 6 50 3 0.0 0.001 0.963 (0;101) ✗ 27/01/17
Zr5CdPb3 ICSD 604207 P6_3/mcm (193) ✔ 18 148 3 0.0 0.001 0.980 (0;000) ✗ 02/02/17
Sb8Te3 ICSD 152188 R-3m (166) ✔ 11 58 0 0.0 0.076 0.042 (1;111) ✗ 06/10/16
CaZn2(PO)2 ICSD 29256 P-3m1 (164) ✔ 7 56 1 0.0 0.019 0.172 (0;001) ✗ 27/01/17
SrCdPt COD 2240266 Pnma (62) ✔ 12 128 3 0.0 0.047 0.554 (1;000) ✗ 02/02/17
CaRhO3 ICSD 164774 Cmcm (63) ✔ 10 90 2 0.0 0.000 0.709 (0;000) ✗ 27/01/17
CaSnO3 ICSD 27777 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.845 (1;111) ✗ 27/01/17
MnWN2 ICSD 80029 P6_3mc (186) ✗ 8 78 3 0.0 0.000 0.864 ? ✗ 06/10/16
CdSb COD 9008881 Pbca (61) ✔ 16 136 3 0.0 0.315 0.011 (0;000) ✗ 02/02/17
TlCdSb COD 7222183 Pnma (62) ✔ 12 120 3 0.0 0.171 0.117 (0;000) ✗ 02/02/17
NaMnSe2 ICSD 50818 P3m1 (156) ✗ 4 36 1 0.0 0.015 0.720 (1;100) ✔ 06/10/16
ScSi ICSD 42946 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.706 (0;110) ✗ 06/10/16
NaMnTe2 ICSD 110774 P3m1 (156) ✗ 4 36 1 0.0 0.007 0.726 (1;100) ✔ 06/10/16
MnNbSi ICSD 24185 P-62m (189) ✗ 9 96 3 0.0 0.000 0.742 ? ✗ 06/10/16
CaPd3O4 COD 1008075 Pm-3n (223) ✔ 16 176 3 0.0 0.004 0.120 (0;000) ✗ 27/01/17
Ca(PtO2)2 ICSD 6159 P4_2/mmc (131) ✔ 14 108 3 0.0 0.008 0.364 (1;000) ✗ 27/01/17
MnNiP ICSD 643091 P-62m (189) ✗ 9 90 3 0.0 0.000 0.659 ? ✗ 06/10/16
TiMnO3 ICSD 184650 R3c (161) ✗ 10 90 3 0.0 0.000 0.795 ? ✗ 06/10/16
SnSe ICSD 108293 Pmmn (59) ✔ 8 80 3 0.0 0.023 0.636 (0;000) ✗ 27/01/17
TiMnO3 ICSD 190911 R3c (161) ✗ 10 90 3 0.0 0.000 0.867 ? ✗ 06/10/16
Ge3Mo5C ICSD 42922 P6_3/mcm (193) ✔ 18 172 3 0.0 0.002 0.844 (0;000) ✗ 02/02/17
Y5Ge3C ICSD 617982 P6_3/mcm (193) ✔ 18 142 3 0.0 0.000 0.603 (0;000) ✗ 02/02/17
TiMnO3 ICSD 65359 R3c (161) ✗ 10 90 3 0.0 0.000 0.700 ? ✗ 06/10/16
Ca COD 9008530 Im-3m (229) ✔ 1 10 1 0.0 0.000 0.444 (0;000) ✗ 27/01/17
Ca COD 9012730 P6_3/mmc (194) ✔ 2 20 1 0.0 0.004 0.399 (0;000) ✗ 27/01/17
ScMnSi ICSD 86369 P-62m (189) ✗ 9 90 3 0.0 0.000 0.732 ? ✗ 06/10/16
Ca COD 9012731 Fm-3m (225) ✔ 1 10 1 0.0 0.012 0.456 (0;000) ✗ 27/01/17
Ca(PPd)2 ICSD 36371 I4/mmm (139) ✔ 5 56 2 0.0 0.056 0.804 (1;000) ✗ 27/01/17
TaMnSi ICSD 643653 P-62m (189) ✗ 9 96 3 0.0 0.000 0.775 ? ✗ 06/10/16
Ca(PRh)2 ICSD 50185 I4/mmm (139) ✔ 5 54 2 0.0 0.053 0.174 (0;111) ✗ 27/01/17
Ca(PRu)2 ICSD 602125 I4/mmm (139) ✔ 5 52 2 0.0 0.042 0.567 (1;111) ✗ 27/01/17
CoGe ICSD 184254 C2/m (12) ✔ 8 52 3 0.0 0.012 0.761 (0;000) ✔ 06/10/16
Ti3Se4 ICSD 601347 C2/m (12) ✔ 7 60 3 0.0 0.007 0.436 (1;110) ✔ 06/10/16
HCO2 COD 5900034 P2_1/c (14) ✔ 16 68 1 0.0 0.011 0.058 (1;010) ✗ 02/02/17
V2MoO8 ICSD 25378 Cmm2 (35) ✗ 11 88 3 0.0 0.497 0.157 (0;000) ✔ 06/10/16
Si3MoPt2 ICSD 174199 Pm2_1b (26) ✗ 12 92 3 0.0 0.007 0.557 ? ✗ 06/10/16
CaPb3 COD 5910096 Pm-3m (221) ✔ 4 52 3 0.0 0.000 0.455 (0;111) ✗ 27/01/17
CaPb ICSD 58918 P4/mmm (123) ✔ 2 24 2 0.0 0.011 0.457 (1;000) ✗ 27/01/17
CaZnPb ICSD 659603 P6_3/mmc (194) ✔ 6 72 2 0.0 0.045 0.343 (1;000) ✗ 27/01/17
MoSeS ICSD 191307 P-6m2 (187) ✗ 6 52 2 0.0 0.046 0.697 (0;000) ✔ 06/10/16
CaPd2 ICSD 30835 I4/mmm (139) ✔ 3 46 2 0.0 0.017 0.582 (1;111) ✗ 27/01/17
CaPd2 ICSD 619495 Fd-3m (227) ✔ 6 92 3 0.0 0.000 0.586 (0;000) ✗ 27/01/17
Ca(SiPd)2 ICSD 619506 I4/mmm (139) ✔ 5 54 3 0.0 0.020 0.673 (0;000) ✗ 27/01/17
CaPd5 COD 1527060 P6/mmm (191) ✔ 6 100 3 0.0 0.007 0.630 (1;001) ✗ 27/01/17
CaPd ICSD 619496 Pm-3m (221) ✔ 2 28 3 0.0 0.072 0.403 (0;000) ✗ 27/01/17
K4Re2Cl10O ICSD 108904 I4/mmm (139) ✔ 17 142 1 0.0 0.168 0.479 (0;000) ✗ 02/02/17
CaSn2Pd ICSD 410774 Cmcm (63) ✔ 8 112 3 0.0 0.021 0.449 (0;110) ✗ 27/01/17
CaPt2 ICSD 108147 Fd-3m (227) ✔ 6 60 3 0.0 0.011 0.504 (0;000) ✗ 27/01/17
CaPt5 ICSD 58929 P6/mmm (191) ✔ 6 60 3 0.0 0.001 0.554 (1;000) ✗ 27/01/17
CaRh2 ICSD 108145 Fd-3m (227) ✔ 6 88 3 0.0 0.000 0.709 (0;000) ✗ 27/01/17
Ca(SiRh)2 ICSD 425469 I4/mmm (139) ✔ 5 52 3 0.0 0.036 0.611 (1;111) ✗ 27/01/17
Sc7NCl12 ICSD 201976 R-3 (148) ✔ 20 166 3 0.0 0.037 0.019 (1;111) ✗ 02/02/17
CaSn2Rh ICSD 410775 Cmcm (63) ✔ 8 110 3 0.0 0.000 0.887 (0;000) ✗ 27/01/17
Te2OsCl12 ICSD 74682 P-1 (2) ✔ 15 112 1 0.0 0.018 0.121 (1;001) ✗ 02/02/17
Co2TeCl2O3 ICSD 415798 P2_1/m (11) ✔ 16 144 3 0.0 0.005 0.622 (1;011) ✗ 02/02/17
Ca(ZnSb)2 COD 7221359 P-3m1 (164) ✔ 5 44 2 0.0 0.025 0.103 (0;000) ✗ 27/01/17
Si2W ICSD 652549 P6_222 (180) ✗ 9 66 3 0.0 0.481 0.083 (0;000) ✔ 06/10/16
TiSe ICSD 652036 Pnma (62) ✔ 8 72 3 0.0 0.009 0.197 (0;000) ✗ 27/01/17
CuH4(ClO)2 COD 1008760 Pmna (53) ✔ 18 82 1 0.0 0.000 0.821 (0;000) ✗ 02/02/17
Cu(ClO)2 COD 9014996 Pmna (53) ✔ 10 74 2 0.0 0.000 0.938 (0;000) ✗ 02/02/17
Cr3AsC ICSD 609880 Cmcm (63) ✔ 10 102 3 0.0 0.000 0.980 (0;001) ✗ 27/01/17
CaSi2 ICSD 154433 P6/mmm (191) ✔ 3 18 2 0.0 0.002 0.363 (1;001) ✗ 27/01/17
CaSi2 ICSD 15632 R-3m (166) ✔ 3 18 2 0.0 0.054 0.217 (1;111) ✗ 27/01/17
Hg3(ClO)2 ICSD 28399 P2_1/c (14) ✔ 14 124 3 0.0 0.082 0.044 (0;000) ✗ 02/02/17
Ti5Se4 ICSD 55075 I4/m (87) ✔ 9 84 3 0.0 0.004 0.585 (1;111) ✗ 06/10/16
CaSi2 ICSD 248532 I4_1/amd (141) ✔ 6 36 3 0.0 0.003 0.257 (1;111) ✗ 27/01/17
K2PdN2(ClO2)2 ICSD 39851 C2/m (12) ✔ 11 84 1 0.0 0.069 0.131 (0;000) ✗ 02/02/17
CaSi2 ICSD 52789 R-3m (166) ✔ 6 36 1 0.0 0.038 0.120 (1;000) ✗ 27/01/17
Mg(ClO3)2 COD 9014683 C2/m (12) ✔ 9 60 1 0.0 0.007 0.584 (0;000) ✗ 02/02/17
Pt(NCl)2 COD 9014307 P4/m (83) ✔ 10 68 3 0.0 0.009 0.422 (1;000) ✗ 02/02/17
Zn(NCl)2 COD 9015876 Imma (74) ✔ 10 72 1 0.0 0.000 0.771 (1;000) ✗ 02/02/17
Ca(ZnSi)2 ICSD 59649 I4/mmm (139) ✔ 5 42 3 0.0 0.007 0.413 (0;000) ✗ 27/01/17
CaSi ICSD 55209 Cmcm (63) ✔ 4 28 3 0.0 0.012 0.176 (1;000) ✗ 27/01/17
Ni(N3Cl)2 COD 9014070 Fm-3m (225) ✔ 9 54 1 0.0 0.001 0.367 (1;000) ✗ 02/02/17
Ru(N3Cl)2 COD 9014997 Fm-3m (225) ✔ 9 60 1 0.0 0.001 0.452 (0;000) ✗ 02/02/17
SrSi ICSD 160106 Cmcm (63) ✔ 4 28 1 0.0 0.012 0.165 (0;110) ✗ 06/10/16
CaZnSi ICSD 52791 P6_3/mmc (194) ✔ 6 52 2 0.0 0.382 0.187 (0;000) ✗ 27/01/17
Pb(ClO)2 COD 9007817 Ccce (68) ✔ 20 160 3 0.0 0.039 0.192 (0;000) ✗ 02/02/17
Sr(ClO)2 COD 9008002 Ccce (68) ✔ 20 144 1 0.0 0.010 0.435 (0;110) ✗ 02/02/17
CaSn3 COD 5910066 Pm-3m (221) ✔ 4 52 3 0.0 0.005 0.323 (0;111) ✗ 27/01/17
Nb2AsC ICSD 43011 P6_3/mmc (194) ✔ 8 70 3 0.0 0.000 0.779 (0;001) ✗ 27/01/17
SrSi ICSD 160107 Pmnb (62) ✔ 8 56 1 0.0 0.008 0.102 (1;000) ✗ 06/10/16
V2AsC ICSD 43874 P6_3/mmc (194) ✔ 8 70 3 0.0 0.000 0.646 (1;000) ✗ 27/01/17
V3AsC ICSD 609887 Cmcm (63) ✔ 10 96 3 0.0 0.003 0.713 (1;110) ✗ 27/01/17
Be5Pd ICSD 58729 F-43m (216) ✗ 6 30 1 0.0 0.315 0.184 (0;000) ✔ 04/10/16
MnP ICSD 191788 F-43m (216) ✗ 2 20 3 0.0 0.028 0.137 (0;000) ✔ 04/10/16
BaN2 ICSD 280681 C2/c (15) ✔ 6 40 1 0.0 0.007 0.652 (0;000) ✔ 06/10/16
CoN ICSD 161754 F-43m (216) ✗ 2 14 3 0.0 0.000 0.708 (1;000) ✔ 06/10/16
SnTe ICSD 53956 F-43m (216) ✗ 2 20 3 0.0 0.063 0.313 (0;000) ✔ 06/10/16
TiSi ICSD 168416 Pnma (62) ✔ 8 64 3 0.0 0.019 0.091 (1;000) ✗ 27/01/17
TiC COD 5910091 Fm-3m (225) ✔ 2 16 3 0.0 0.013 0.215 (0;000) ✗ 27/01/17
CaW ICSD 28952 I4_1/amd (141) ✔ 4 48 1 0.0 0.019 0.278 (1;111) ✗ 27/01/17
CaZn2 ICSD 418971 Imma (74) ✔ 6 68 3 0.0 0.009 0.557 (0;111) ✗ 27/01/17
CaZn5 ICSD 418614 P6/mmm (191) ✔ 6 70 3 0.0 0.000 0.680 (1;000) ✗ 27/01/17
CsCoCl3 ICSD 27511 P6_3/mmc (194) ✔ 10 94 1 0.0 0.000 0.591 (0;000) ✗ 02/02/17
RbCoCl3 ICSD 24305 P6_3/mmc (194) ✔ 10 94 1 0.0 0.000 0.491 (0;000) ✗ 02/02/17
TlCoCl3 ICSD 155189 P6_3/mmc (194) ✔ 10 102 1 0.0 0.000 0.592 (0;000) ✗ 02/02/17
Cr(ClO2)3 COD 9016332 R-3c (167) ✔ 20 142 3 0.0 0.021 1.000 (0;000) ✗ 02/02/17
RbCrCl3 ICSD 2225 C2/m (12) ✔ 10 88 1 0.0 0.008 0.538 (0;000) ✗ 02/02/17
RbCrCl3 ICSD 56837 C2/c (15) ✔ 20 176 1 0.0 0.002 0.533 (0;000) ✗ 02/02/17
YSi ICSD 262364 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.724 (0;110) ✗ 06/10/16
CaBiCO4F ICSD 87759 Pmmn (59) ✔ 16 120 1 0.0 0.006 0.260 (0;000) ✗ 27/01/17
YNiBC ICSD 85283 P4/nmm (129) ✔ 8 56 3 0.0 0.017 0.299 (1;001) ✗ 27/01/17
CsNiCl3 COD 2007344 P6_3/mmc (194) ✔ 10 80 1 0.0 0.002 0.203 (0;000) ✗ 02/02/17
CsScCl3 COD 4343633 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.596 (0;000) ✗ 02/02/17
ZrSi ICSD 16771 Pmnb (62) ✔ 8 64 3 0.0 0.016 0.194 (1;000) ✗ 06/10/16
CsTiCl3 ICSD 49748 P6_3/mmc (194) ✔ 10 84 1 0.0 0.001 0.511 (0;000) ✗ 02/02/17
CsVCl3 COD 1527869 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.717 (0;000) ✗ 02/02/17
YCBr ICSD 78871 C2/m (12) ✔ 6 44 2 0.0 0.017 0.505 (0;000) ✗ 27/01/17
KCuCl3 COD 1528208 P2_1/c (14) ✔ 20 164 1 0.0 0.004 0.065 (0;000) ✗ 02/02/17
RbCuCl3 ICSD 84212 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.655 (0;000) ✗ 02/02/17
RbCuCl3 COD 1527258 Pbcn (60) ✔ 20 164 1 0.0 0.000 0.386 (0;011) ✗ 02/02/17
YBC ICSD 42626 Cmmm (65) ✔ 6 36 3 0.0 0.006 0.641 (1;110) ✗ 27/01/17
CaCN2 COD 1010503 R-3m (166) ✔ 4 24 1 0.0 0.474 0.106 (0;000) ✗ 27/01/17
RuO2 ICSD 66939 Pa3 (205) ✔ 12 112 3 0.0 0.073 0.395 (0;000) ✗ 27/01/17
ZrSi ICSD 20284 Cmcm (63) ✔ 4 16 3 0.0 0.005 0.258 (1;000) ✗ 27/01/17
VINCl3 ICSD 10470 P-1 (2) ✔ 12 92 3 0.0 0.063 0.144 (0;000) ✗ 02/02/17
NbS ICSD 44992 P6_3/mmc (194) ✔ 4 38 3 0.0 0.000 0.878 (0;000) ✗ 27/01/17
CaPd3C ICSD 108128 Pm-3m (221) ✔ 5 68 3 0.0 0.000 0.602 (0;000) ✗ 27/01/17
TiSi2 ICSD 1089 Fddd (70) ✔ 6 40 3 0.0 0.012 0.452 (1;000) ✗ 06/10/16
TiSi2 ICSD 86810 Fmmm (69) ✔ 3 20 3 0.0 0.003 0.728 (1;000) ✗ 06/10/16
CdCO3 COD 1011341 R-3m (166) ✔ 5 34 3 0.0 0.008 0.815 (0;111) ✗ 27/01/17
KMnCl3 ICSD 173939 Pnma (62) ✔ 20 180 3 0.0 0.002 0.327 (0;110) ✗ 02/02/17
KMnCl3 ICSD 32711 Pnma (62) ✔ 20 180 1 0.0 0.000 0.373 (0;011) ✗ 02/02/17
Ti2CdC ICSD 42924 P6_3/mmc (194) ✔ 8 80 3 0.0 0.004 0.591 (0;000) ✗ 27/01/17
Mn2Co2C ICSD 44353 P4/mmm (123) ✔ 5 68 3 0.0 0.006 0.715 (1;000) ✗ 27/01/17
NaMnCl3 ICSD 2552 R-3 (148) ✔ 10 90 1 0.0 0.001 0.730 (1;000) ✗ 02/02/17
MnTlCl3 ICSD 23168 Pnma (62) ✔ 20 196 3 0.0 0.000 0.577 (0;110) ✗ 02/02/17
MoCl3 ICSD 26109 C2/c (15) ✔ 16 140 2 0.0 0.047 0.055 (0;000) ✗ 02/02/17
ZrSi2 ICSD 16772 Cmcm (63) ✔ 6 40 3 0.0 0.004 0.319 (1;110) ✗ 06/10/16
MoCl3O COD 1527307 P2_1/c (14) ✔ 20 164 1 0.0 0.005 0.067 (0;010) ✗ 02/02/17
MoSeCl3 COD 4002056 C2/c (15) ✔ 20 164 1 0.0 0.005 0.471 (1;110) ✗ 02/02/17
MoSCl3 COD 4002054 C2/c (15) ✔ 20 164 1 0.0 0.001 0.450 (1;110) ✗ 02/02/17
Co2C COD 1528415 Pnnm (58) ✔ 6 76 3 0.0 0.020 0.325 (0;000) ✗ 27/01/17
ScCo3C ICSD 76793 Pm-3m (221) ✔ 5 66 3 0.0 0.000 0.214 (0;111) ✗ 27/01/17
CoCN2 COD 4307548 P6_3/mmc (194) ✔ 8 62 3 0.0 0.000 0.753 (0;000) ✗ 27/01/17
RbNiCl3 COD 1527092 P6_3/mmc (194) ✔ 10 80 1 0.0 0.003 0.206 (0;000) ✗ 02/02/17
CoCO3 COD 9007713 R-3c (167) ✔ 10 78 3 0.0 0.000 0.698 (1;100) ✗ 27/01/17
Y(ClO2)3 COD 9007776 P2/c (13) ✔ 20 136 1 0.0 0.001 0.398 (1;110) ✗ 02/02/17
SrSn ICSD 106073 Cmcm (63) ✔ 4 48 1 0.0 0.058 0.207 (0;110) ✗ 06/10/16
YCoC ICSD 61684 P4_2/mmc (131) ✔ 6 64 3 0.0 0.000 0.622 (1;000) ✗ 27/01/17
RbTiCl3 ICSD 49747 P6_3/mmc (194) ✔ 10 84 1 0.0 0.016 0.517 (0;000) ✗ 02/02/17
RbVCl3 COD 1530068 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.711 (0;000) ✗ 02/02/17
Cr2GaC ICSD 76801 P6_3/mmc (194) ✔ 8 90 3 0.0 0.000 0.906 (0;001) ✗ 27/01/17
Cr3GeC ICSD 189871 Cmcm (63) ✔ 10 100 3 0.0 0.007 0.897 (1;110) ✗ 27/01/17
YCu ICSD 629426 Pm-3m (221) ✔ 2 22 3 0.0 0.000 0.661 (0;111) ✗ 27/01/17
ZrCl3 ICSD 23944 P6_3/mcm (193) ✔ 8 50 1 0.0 0.000 0.502 (0;000) ✗ 02/02/17
CrF2 ICSD 31827 P2_1/c (14) ✔ 6 56 3 0.0 0.025 0.421 (0;000) ✔ 06/10/16
ZrCl3 ICSD 43292 P-31m (162) ✔ 8 50 1 0.0 0.160 0.200 (0;000) ✗ 02/02/17
Cs2CrCl4 ICSD 41571 I4/mmm (139) ✔ 7 60 2 0.0 0.035 0.779 (0;000) ✗ 02/02/17
Li2CrCl4 COD 1530131 C2/c (15) ✔ 14 96 3 0.0 0.006 0.560 (0;000) ✗ 02/02/17
Na2CrCl4 ICSD 66201 P2_1/c (14) ✔ 14 120 1 0.0 0.020 0.493 (0;000) ✗ 02/02/17
Rb2CrCl4 ICSD 41570 I4/mmm (139) ✔ 7 60 2 0.0 0.033 0.773 (0;000) ✗ 02/02/17
Rb2CrCl4 ICSD 47129 I4/mmm (139) ✔ 7 60 2 0.0 0.012 0.220 (0;000) ✗ 02/02/17
Rb2CrCl4 COD 1533153 I4/mmm (139) ✔ 7 60 1 0.0 0.008 0.180 (1;111) ✗ 02/02/17
Cs2Pd(ICl2)2 ICSD 240484 I4/mmm (139) ✔ 9 78 1 0.0 0.031 0.268 (1;111) ✗ 02/02/17
SnTe ICSD 52488 Pm-3m (221) ✔ 2 20 3 0.0 0.308 0.567 (1;111) ✗ 27/01/17
CuCN2 ICSD 161460 Cmcm (63) ✔ 8 50 3 0.0 0.000 0.436 (0;000) ✗ 27/01/17
CuCO3 COD 9000104 R-3c (167) ✔ 10 66 3 0.0 0.000 0.632 (0;000) ✗ 27/01/17
CuN2(Cl2O)2 COD 9008016 P4_2/mnm (136) ✔ 18 122 1 0.0 0.000 0.859 (0;110) ✗ 02/02/17
Rb2CuCl4 COD 1528214 Cmce (64) ✔ 14 114 2 0.0 0.000 0.938 (0;000) ✗ 02/02/17
TiClO ICSD 155833 Pmmn (59) ✔ 6 50 2 0.0 0.000 0.885 (0;001) ✗ 27/01/17
KNiF3 COD 5910032 Pm-3m (221) ✔ 5 40 3 0.0 0.000 0.596 (0;000) ✗ 27/01/17
Sr(CdGa)2 ICSD 370021 I4/mmm (139) ✔ 5 60 3 0.0 0.013 0.813 (0;000) ✗ 27/01/17
MoF3 ICSD 26629 R-3c (167) ✔ 8 70 3 0.0 0.001 0.311 (0;000) ✗ 27/01/17
VF4 ICSD 65785 P2_1/c (14) ✔ 10 82 2 0.0 0.000 0.558 (0;000) ✗ 27/01/17
N2O5 ICSD 30639 P6_3/mmc (194) ✔ 14 80 1 0.0 0.003 0.404 (1;000) ✗ 27/01/17
Cd2Hg ICSD 58983 I4/mmm (139) ✔ 3 36 3 0.0 0.033 0.617 (1;000) ✗ 27/01/17
MoN ICSD 43559 P-31m (162) ✔ 16 152 3 0.0 0.003 0.650 (1;000) ✗ 27/01/17
Rb2MnF5 ICSD 82218 P4/mmm (123) ✔ 8 68 1 0.0 0.052 0.707 (0;000) ✗ 27/01/17
ZrTiF6 COD 1532187 Fm-3m (225) ✔ 8 58 3 0.0 0.000 0.676 (0;000) ✗ 27/01/17
Ti3Sn ICSD 189710 Fm-3m (225) ✔ 4 50 3 0.0 0.000 0.834 (1;000) ✗ 06/10/16
SrCd2Pd ICSD 425494 Cmcm (63) ✔ 8 104 3 0.0 0.013 0.642 (1;000) ✗ 27/01/17
LiGa2Ir COD 1527263 Fm-3m (225) ✔ 4 46 3 0.0 0.002 0.855 (1;000) ✗ 27/01/17
Na2MnCl4 COD 2106200 Pbam (55) ✔ 14 122 1 0.0 0.000 0.664 (0;000) ✗ 02/02/17
Ge COD 7101739 Fd-3m (227) ✔ 4 16 3 0.0 0.012 0.616 (0;000) ✗ 27/01/17
Pd(NCl2)2 COD 9015430 P4/mmm (123) ✔ 7 56 1 0.0 0.001 0.522 (0;000) ✗ 02/02/17
Mg ICSD 642652 Im-3m (229) ✔ 1 10 3 0.0 0.000 0.457 (0;111) ✗ 27/01/17
Ti(NCl)4 COD 9015114 I4/mmm (139) ✔ 9 60 1 0.0 0.001 0.840 (1;000) ✗ 02/02/17
Na2TiCl4 ICSD 400264 Pbam (55) ✔ 14 116 1 0.0 0.012 0.435 (0;000) ✗ 02/02/17
H2S ICSD 24582 Fm-3m (225) ✔ 3 8 1 0.0 0.000 0.304 (1;000) ✗ 27/01/17
Sr(CdSb)2 COD 7221362 P-3m1 (164) ✔ 5 44 2 0.0 0.015 0.080 (0;000) ✗ 27/01/17
HfP ICSD 42914 P6_3/mmc (194) ✔ 8 68 3 0.0 0.034 0.345 (1;000) ✗ 27/01/17
HgTe ICSD 56658 Cmcm (63) ✔ 4 36 3 0.0 0.062 0.439 (0;110) ✗ 27/01/17
MgCd3 COD 4123953 P6_3/mmc (194) ✔ 8 92 3 0.0 0.002 0.554 (1;000) ✗ 27/01/17
ScCd3 COD 1525206 P6_3/mmc (194) ✔ 8 94 3 0.0 0.000 0.813 (0;000) ✗ 27/01/17
Li ICSD 20928 P6_3/mmc (194) ✔ 2 6 1 0.0 0.000 0.670 (1;000) ✗ 27/01/17
YCd3 COD 1524117 Cmcm (63) ✔ 8 94 3 0.0 0.000 0.845 (1;110) ✗ 27/01/17
LiN ICSD 423831 Immm (71) ✔ 8 32 1 0.0 0.013 0.846 (0;000) ✗ 27/01/17
Li2O2 COD 1514085 P6_3/mmc (194) ✔ 8 36 3 0.0 0.017 0.358 (1;000) ✗ 27/01/17
CrI2 ICSD 23892 C2/m (12) ✔ 3 28 2 0.0 0.052 0.341 (0;000) ✔ 06/10/16
BaAg ICSD 260623 Pmnb (62) ✔ 8 84 3 0.0 0.001 0.353 (1;011) ✗ 06/10/16
Ti3Sn ICSD 189761 Cmcm (63) ✔ 8 100 3 0.0 0.004 0.419 (1;110) ✗ 06/10/16
ReCl4 COD 4123951 P2/c (13) ✔ 20 172 1 0.0 0.032 0.088 (0;000) ✗ 02/02/17
Cd(NCl)2 COD 9016251 Cmmm (65) ✔ 5 36 1 0.0 0.007 0.674 (0;111) ✗ 27/01/17
MoN ICSD 60168 P6/mmm (191) ✔ 4 38 3 0.0 0.017 0.830 (0;000) ✗ 27/01/17
YSn2 ICSD 416771 Cmcm (63) ✔ 6 78 3 0.0 0.000 0.768 (0;000) ✗ 27/01/17
CdCo3N ICSD 422858 Pm-3m (221) ✔ 5 68 3 0.0 0.000 0.592 (1;000) ✗ 27/01/17
TaO2 ICSD 603572 P4_2/mnm (136) ✔ 6 50 3 0.0 0.000 0.903 (0;000) ✗ 27/01/17
CaAg ICSD 57352 Ccmm (63) ✔ 4 42 1 0.0 0.000 0.621 (0;110) ✗ 06/10/16
Cs3CoCl5 COD 2011750 I4/mcm (140) ✔ 18 158 1 0.0 0.000 0.321 (0;111) ✗ 02/02/17
Tl3CoCl5 COD 1523977 I4/mcm (140) ✔ 18 182 1 0.0 0.000 0.321 (0;111) ✗ 02/02/17
Cs3MnCl5 ICSD 24 I4/mcm (140) ✔ 18 154 1 0.0 0.000 0.337 (1;111) ✗ 02/02/17
ZrSn2 ICSD 652857 Fddd (70) ✔ 6 64 3 0.0 0.023 0.439 (1;111) ✗ 27/01/17
Cs3NiCl5 COD 2007345 I4/mcm (140) ✔ 18 144 1 0.0 0.018 0.280 (0;000) ✗ 02/02/17
CsCd(NO2)3 COD 1010354 Pm3 (200) ✔ 11 72 3 0.0 0.000 0.870 (1;000) ✗ 27/01/17
ZrCdCu2 ICSD 58961 Fm-3m (225) ✔ 4 38 3 0.0 0.032 0.213 (0;000) ✗ 27/01/17
SrZn ICSD 54980 Pmnb (62) ✔ 8 88 1 0.0 0.008 0.518 (1;000) ✗ 06/10/16
Tl3FeCl5 COD 1523978 I4/mcm (140) ✔ 18 164 1 0.0 0.001 0.349 (1;001) ✗ 02/02/17
CdGeP2 ICSD 52804 Fm-3m (225) ✔ 4 26 3 0.0 0.019 0.517 (1;000) ✗ 27/01/17
MoCl5 COD 2101942 P-1 (2) ✔ 12 98 1 0.0 0.004 0.377 (1;111) ✗ 02/02/17
NaSi2Pd3 ICSD 41686 I2mm (44) ✗ 12 94 3 0.0 0.005 0.525 ? ✗ 06/10/16
Na3CrCl6 ICSD 62035 P-31c (163) ✔ 20 166 1 0.0 0.000 0.176 (1;000) ✗ 02/02/17
Ag3Sb ICSD 38820 Pmm2 (25) ✗ 4 38 3 0.0 0.008 0.385 (1;010) ✔ 06/10/16
CrP2 ICSD 2526 C2/m (12) ✔ 6 48 3 0.0 0.029 0.247 (0;000) ✔ 27/01/17
Cs2MoCl6 COD 8102884 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.190 (0;000) ✗ 02/02/17
ZnTe ICSD 184491 Ccmm (63) ✔ 4 36 3 0.0 0.075 0.278 (0;000) ✗ 06/10/16
ZrTe ICSD 280620 Pmnb (62) ✔ 8 72 3 0.0 0.014 0.144 (0;000) ✗ 06/10/16
NaVS2 ICSD 644994 R3m (160) ✗ 4 34 1 0.0 0.004 0.353 (1;000) ✔ 06/10/16
MnCdF5 ICSD 69633 C2/c (15) ✔ 14 124 3 0.0 0.005 0.275 (0;000) ✗ 27/01/17
O2 ICSD 37059 Fmmm (69) ✔ 2 12 1 0.0 0.030 0.606 (0;000) ✗ 27/01/17
Cd(FeO2)2 ICSD 619857 Fd-3m (227) ✔ 14 104 3 0.0 0.001 0.661 (0;000) ✗ 27/01/17
YTe3 ICSD 653175 Cmcm (63) ✔ 8 58 2 0.0 0.000 0.971 (1;000) ✗ 02/02/17
Cs2WCl6 COD 8100301 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.200 (0;000) ✗ 02/02/17
Li2CdGe ICSD 52803 Fm-3m (225) ✔ 4 22 3 0.0 0.000 0.515 (0;000) ✗ 27/01/17
CsWCl6 COD 1527332 C2/c (15) ✔ 16 130 1 0.0 0.002 0.475 (1;010) ✗ 02/02/17
Hf2Cd ICSD 619965 I4/mmm (139) ✔ 3 36 3 0.0 0.097 0.496 (0;111) ✗ 27/01/17
HfCd ICSD 619964 P4/nmm (129) ✔ 4 48 3 0.0 0.022 0.254 (0;000) ✗ 27/01/17
CdHg2 ICSD 58982 I4/mmm (139) ✔ 3 36 3 0.0 0.036 0.602 (1;000) ✗ 27/01/17
CrSe ICSD 24792 P6_3/mmc (194) ✔ 4 40 3 0.0 0.000 0.586 (1;000) ✔ 06/10/16
Ag2S ICSD 98452 P2_1/m (11) ✔ 6 56 1 0.0 0.020 0.267 (1;001) ✗ 06/10/16
Ti5Te4 ICSD 15451 I4/m (87) ✔ 9 84 3 0.0 0.002 0.609 (1;111) ✗ 06/10/16
KCd(NO2)3 COD 1010352 Pm3 (200) ✔ 11 72 3 0.0 0.000 0.819 (0;000) ✗ 27/01/17
KCdSb ICSD 620064 P4/nmm (129) ✔ 6 52 1 0.0 0.022 0.014 (0;000) ✗ 27/01/17
Zr5Te4 ICSD 409337 I4/m (87) ✔ 9 84 3 0.0 0.002 0.686 (1;111) ✗ 06/10/16
K2MoCl6 ICSD 26643 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.352 (0;000) ✗ 02/02/17
K2NbCl6 ICSD 245749 P4/mnc (128) ✔ 18 146 1 0.0 0.000 0.921 (0;000) ✗ 02/02/17
K2OsCl6 COD 1011311 Fm-3m (225) ✔ 9 76 2 0.0 0.439 0.108 (0;000) ✗ 02/02/17
Li2CdSn ICSD 108223 Fm-3m (225) ✔ 4 32 3 0.0 0.000 0.546 (0;000) ✗ 27/01/17
K2RuCl6 ICSD 8055 Fm-3m (225) ✔ 9 76 1 0.0 0.124 0.653 (0;000) ✗ 02/02/17
Mg3Cd COD 4123952 P6_3/mmc (194) ✔ 8 84 3 0.0 0.016 0.588 (1;000) ✗ 27/01/17
AlCu3 ICSD 151216 Pmmn (59) ✔ 8 72 3 0.0 0.010 0.783 (1;000) ✗ 05/01/17
ZrTe5 ICSD 85506 Cmcm (63) ✔ 12 68 2 0.0 0.041 0.021 (1;110) ✗ 02/02/17
NbReSi ICSD 645257 P-62m (189) ✗ 9 96 3 0.0 0.000 0.660 ? ✗ 06/10/16
K2WCl6 ICSD 409840 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.384 (0;000) ✗ 02/02/17
Na3MoCl6 COD 1508414 P-31c (163) ✔ 20 166 1 0.0 0.000 0.214 (1;000) ✗ 02/02/17
Tl2MoCl6 ICSD 408777 Fm-3m (225) ✔ 9 82 1 0.0 0.000 0.795 (0;000) ✗ 02/02/17
FeMoClO4 ICSD 202186 P4/nmm (129) ✔ 14 106 3 0.0 0.000 0.921 (1;000) ✗ 02/02/17
Pb(NCl3)2 COD 9016622 Fm-3m (225) ✔ 9 66 2 0.0 0.000 0.548 (1;000) ✗ 02/02/17
Pt(NCl3)2 COD 9016043 Fm-3m (225) ✔ 9 62 1 0.0 0.000 0.566 (1;000) ✗ 02/02/17
Se(NCl3)2 COD 9016312 Fm-3m (225) ✔ 9 58 1 0.0 0.000 0.420 (1;000) ✗ 02/02/17
Sn(NCl3)2 COD 9015542 Fm-3m (225) ✔ 9 66 2 0.0 0.000 0.534 (1;000) ✗ 02/02/17
Te(NCl3)2 COD 9016366 Fm-3m (225) ✔ 9 58 2 0.0 0.003 0.652 (0;000) ✗ 02/02/17
RbCd(NO2)3 COD 1010353 Pm3 (200) ✔ 11 72 3 0.0 0.000 0.896 (0;000) ✗ 27/01/17
Na3TiCl6 ICSD 411050 P2_1/c (14) ✔ 20 162 1 0.0 0.000 0.724 (0;000) ✗ 02/02/17
Ti(NbSe2)2 ICSD 645393 Cm (8) ✗ 7 62 3 0.0 0.002 0.721 (0;101) ✔ 06/10/16
TlCd(NO2)3 COD 1010355 Pm3 (200) ✔ 11 76 3 0.0 0.000 0.892 (0;111) ✗ 27/01/17
HfAl ICSD 107828 Ccmm (63) ✔ 4 30 3 0.0 0.000 0.904 (1;000) ✗ 06/10/16
CaAgAs ICSD 10017 P-62m (189) ✗ 9 78 3 0.0 0.091 0.008 (1;000) ✔ 06/10/16
CaAgAs ICSD 604730 P-62m (189) ✗ 9 78 3 0.0 0.089 0.008 (1;000) ✔ 06/10/16
ICl ICSD 26032 P2_1/c (14) ✔ 16 112 1 0.0 0.196 0.034 (0;000) ✗ 02/02/17
NiPbO3 ICSD 187684 R3c (161) ✗ 10 84 3 0.0 0.000 0.555 ? ✗ 06/10/16
NiPbO3 ICSD 187685 R3c (161) ✗ 10 84 3 0.0 0.000 0.368 ? ✗ 06/10/16
NiPbO3 ICSD 187686 R3c (161) ✗ 10 84 3 0.0 0.000 0.338 ? ✗ 06/10/16
CdSO4 ICSD 130014 P-3m1 (164) ✔ 12 84 3 0.0 0.017 0.574 (0;001) ✗ 27/01/17
NiPRh ICSD 646131 P-62m (189) ✗ 9 96 3 0.0 0.000 0.349 ? ✗ 06/10/16
NiPS ICSD 93898 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.591 ? ✗ 06/10/16
SiNiPd ICSD 646219 P-62m (189) ✗ 9 72 3 0.0 0.000 0.268 ? ✗ 06/10/16
Cd COD 9012436 P6_3/mmc (194) ✔ 2 24 3 0.0 0.008 0.392 (1;000) ✗ 27/01/17
NiSbS ICSD 38843 P2_13 (198) ✗ 12 84 3 0.0 0.000 1.000 ? ✗ 06/10/16
CdPd5Se ICSD 620273 P4/mmm (123) ✔ 7 108 3 0.0 0.007 0.509 (1;000) ✗ 27/01/17
Rb2WCl6 COD 8100738 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.352 (0;000) ✗ 02/02/17
FePd ICSD 633142 P4/mmm (123) ✔ 2 26 3 0.0 0.003 0.687 (1;111) ✗ 27/01/17
HfAl ICSD 608086 Cmcm (63) ✔ 4 30 3 0.0 0.000 0.884 (0;110) ✗ 05/01/17
CrB2 COD 1510641 P6/mmm (191) ✔ 3 20 3 0.0 0.008 0.696 (0;001) ✗ 05/01/17
NiSbS ICSD 93900 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.565 ? ✗ 06/10/16
Tl2WCl6 ICSD 409229 Fm-3m (225) ✔ 9 82 1 0.0 0.000 0.836 (0;000) ✗ 02/02/17
K3Mn2Cl7 ICSD 36127 I4/mmm (139) ✔ 12 106 2 0.0 0.004 0.851 (0;000) ✗ 02/02/17
MoSeCl7O ICSD 410101 P-1 (2) ✔ 20 150 3 0.0 0.006 0.133 (1;100) ✗ 02/02/17
CdS ICSD 60570 Pmmn (59) ✔ 4 36 1 0.0 0.040 0.074 (1;000) ✗ 27/01/17
NiSbSe ICSD 93902 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.621 ? ✗ 06/10/16
CaAgBi ICSD 416283 P6_3mc (186) ✗ 6 52 3 0.0 0.025 0.154 (0;000) ✔ 06/10/16
ScSi3Ni ICSD 41832 Cm2m (38) ✗ 10 66 3 0.0 0.006 0.787 ? ✗ 06/10/16
Sc5NCl8 ICSD 60856 C2/m (12) ✔ 14 116 3 0.0 0.006 0.132 (0;110) ✗ 02/02/17
ScSi3Ni ICSD 41833 Cm2m (38) ✗ 10 66 3 0.0 0.007 0.782 ? ✗ 06/10/16
Sr2CoClO3 ICSD 91750 P4/nmm (129) ✔ 14 124 1 0.0 0.018 0.197 (0;001) ✗ 02/02/17
LaAl ICSD 54470 Cmcm (63) ✔ 8 24 3 0.0 0.002 0.299 (1;110) ✗ 06/10/16
ScSi3Ni ICSD 646478 Cm2m (38) ✗ 10 66 3 0.0 0.003 0.782 ? ✗ 06/10/16
CuHClO ICSD 38384 P2_1/c (14) ✔ 16 100 2 0.0 0.014 0.317 (1;000) ✗ 02/02/17
CuHClO ICSD 91088 P2_1/c (14) ✔ 16 100 2 0.0 0.030 0.337 (0;001) ✗ 02/02/17
ZrCd ICSD 620612 P4/nmm (129) ✔ 4 32 3 0.0 0.007 0.244 (0;000) ✗ 27/01/17
Sc6NiTe2 ICSD 90082 P-62m (189) ✗ 9 88 3 0.0 0.000 0.854 ? ✗ 06/10/16
CaAgP ICSD 10016 P-62m (189) ✗ 9 78 3 0.0 0.016 0.038 (0;000) ✔ 05/12/16
YSi3Ni ICSD 9933 C2mm (38) ✗ 10 66 3 0.0 0.009 0.795 ? ✗ 06/10/16
Ni3TeO6 ICSD 240377 P1 (1) ✗ 10 72 0 0.0 0.001 0.376 ? ✗ 06/10/16
RuCl(OF3)2 ICSD 63686 P2/c (13) ✔ 20 154 1 0.0 0.000 0.978 (1;010) ✗ 02/02/17
MnSb ICSD 191175 F-43m (216) ✗ 2 20 3 0.0 0.000 0.062 (1;000) ✔ 04/10/16
LiFeMoClO4 ICSD 65346 P2_1/m (11) ✔ 16 112 3 0.0 0.033 0.657 (1;000) ✗ 02/02/17
Sr2FeClO3 ICSD 93508 P4/nmm (129) ✔ 14 106 1 0.0 0.000 0.744 (0;000) ✗ 02/02/17
CuF ICSD 52273 F-43m (216) ✗ 2 18 3 0.0 0.027 0.037 (1;000) ✔ 06/10/16
CuF2 ICSD 26576 P2_1/c (14) ✔ 6 50 3 0.0 0.000 0.405 (1;001) ✔ 06/10/16
Mn3Al ICSD 181801 Fm-3m (225) ✔ 4 48 3 0.0 0.000 0.372 (1;000) ✗ 06/10/16
Fe3SnC ICSD 76842 Pm-3m (221) ✔ 5 42 3 0.0 0.003 0.465 (1;000) ✗ 27/01/17
ZnFe3C ICSD 76763 Pm-3m (221) ✔ 5 40 3 0.0 0.000 0.444 (1;111) ✗ 27/01/17
FeCN2 COD 7054164 P6_3/mmc (194) ✔ 8 44 3 0.0 0.009 0.266 (0;000) ✗ 27/01/17
Mn3GaC COD 1008110 Pm-3m (221) ✔ 5 62 3 0.0 0.000 0.317 (1;000) ✗ 27/01/17
GaMo2C ICSD 617917 P6_3/mmc (194) ✔ 8 90 3 0.0 0.000 0.846 (1;000) ✗ 27/01/17
Sc3GaC ICSD 50162 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.113 (1;000) ✗ 27/01/17
HgSNCl ICSD 20269 Pnma (62) ✔ 16 120 1 0.0 0.005 0.387 (1;000) ✗ 02/02/17
Ti2GaC ICSD 617927 P6_3/mmc (194) ✔ 8 82 3 0.0 0.000 0.976 (1;000) ✗ 27/01/17
Y3GaC ICSD 56396 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.111 (1;000) ✗ 27/01/17
Mn3GeC ICSD 25775 I4/mcm (140) ✔ 10 106 3 0.0 0.000 0.840 (0;000) ✗ 27/01/17
Ti2GeC ICSD 42921 P6_3/mmc (194) ✔ 8 64 3 0.0 0.016 0.634 (1;000) ✗ 27/01/17
V2GeC ICSD 42919 P6_3/mmc (194) ✔ 8 68 3 0.0 0.012 0.505 (1;000) ✗ 27/01/17
V3GeC ICSD 617981 Cmcm (63) ✔ 10 94 3 0.0 0.000 0.669 (1;000) ✗ 27/01/17
ScAl ICSD 609303 Cmcm (63) ✔ 4 28 3 0.0 0.000 0.601 (1;110) ✗ 05/01/17
CuAgTe2 ICSD 42482 Pmm2 (25) ✗ 4 34 2 0.0 0.001 0.916 (1;000) ✔ 05/12/16
KMnCl ICSD 173938 Imma (74) ✔ 6 62 1 0.0 0.001 0.755 (1;101) ✗ 02/02/17
KMoPClO5 ICSD 50988 P4/nmm (129) ✔ 18 130 2 0.0 0.000 0.918 (0;000) ✗ 02/02/17
Hf2PbC ICSD 618050 P6_3/mmc (194) ✔ 8 84 3 0.0 0.109 0.567 (1;000) ✗ 27/01/17
Hf2TlC ICSD 618061 P6_3/mmc (194) ✔ 8 82 3 0.0 0.000 0.971 (0;000) ✗ 27/01/17
Sr2MnClO3 ICSD 94745 P4/nmm (129) ✔ 14 120 1 0.0 0.003 0.963 (0;001) ✗ 02/02/17
MnSbS2Cl ICSD 151925 Pnma (62) ✔ 20 156 3 0.0 0.001 0.373 (1;011) ✗ 02/02/17
YAl ICSD 247101 Cmcm (63) ✔ 4 28 3 0.0 0.003 0.547 (1;110) ✗ 05/01/17
Mn3InC ICSD 106306 Pm-3m (221) ✔ 5 62 3 0.0 0.003 0.681 (0;000) ✗ 27/01/17
RbMoPClO5 ICSD 50989 P4/nmm (129) ✔ 18 130 2 0.0 0.000 0.927 (0;000) ✗ 02/02/17
Mn3InC ICSD 657357 Pm-3m (221) ✔ 5 62 3 0.0 0.000 0.358 (1;000) ✗ 27/01/17
Sr2NiClO3 ICSD 237581 P4/nmm (129) ✔ 14 110 1 0.0 0.000 0.901 (0;000) ✗ 02/02/17
Sc3InC ICSD 50163 Pm-3m (221) ✔ 5 50 3 0.0 0.000 0.108 (1;000) ✗ 27/01/17
NCl COD 9014419 Pa3 (205) ✔ 16 96 1 0.0 0.005 0.742 (1;000) ✗ 02/02/17
ScIr3C ICSD 77044 Pm-3m (221) ✔ 5 66 3 0.0 0.012 0.378 (1;000) ✗ 27/01/17
ZrAl ICSD 191011 Ccmm (63) ✔ 4 30 3 0.0 0.000 0.909 (1;000) ✗ 06/10/16
Sb3ClO4 ICSD 410039 P2/c (13) ✔ 16 92 3 0.0 2.942 1.000 (0;000) ✗ 02/02/17
Al2Cu ICSD 107544 Fmmm (69) ✔ 6 34 3 0.0 0.013 0.904 (1;000) ✗ 06/10/16
PbClO COD 9015232 Pnma (62) ✔ 12 108 1 0.0 0.001 0.436 (1;011) ✗ 02/02/17
PbClO COD 9015322 Pnma (62) ✔ 12 108 2 0.0 0.001 0.655 (1;011) ✗ 02/02/17
Sc6Te2Os ICSD 98972 P-62m (189) ✗ 9 94 3 0.0 0.000 0.519 ? ✗ 06/10/16
YPPt ICSD 77779 P-6m2 (187) ✗ 3 26 3 0.0 0.000 0.598 (1;000) ✔ 06/10/16
ScPRu ICSD 77790 P-62m (189) ✗ 9 96 3 0.0 0.000 0.650 ? ✗ 06/10/16
TiAl2 ICSD 106252 Cmmm (65) ✔ 6 36 3 0.0 0.010 0.449 (1;110) ✗ 06/10/16
Ge ICSD 636530 I4_1/amd (141) ✔ 2 8 3 0.0 0.027 0.455 (1;111) ✗ 27/01/17
SnPbS2 ICSD 156131 Pmc2_1 (26) ✗ 8 80 3 0.0 0.010 0.589 ? ✗ 06/10/16
SbPdSe ICSD 171030 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.604 ? ✗ 06/10/16
Co2CuS4 COD 1010946 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.789 (0;000) ✗ 02/02/17
Co2CuS4 COD 9009688 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.886 (0;000) ✗ 02/02/17
Sc3Co2Ge3 COD 1527681 Cmcm (63) ✔ 16 158 3 0.0 0.000 0.899 (1;000) ✗ 02/02/17
NaCo2Mo2H3O10 ICSD 422475 C2/m (12) ✔ 18 134 3 0.0 0.004 0.622 (0;001) ✗ 02/02/17
Hf3Co2Si3 ICSD 623796 Cmcm (63) ✔ 16 164 3 0.0 0.007 0.913 (0;000) ✗ 02/02/17
KIn9Co2 COD 4301694 P6/mmm (191) ✔ 12 160 3 0.0 0.003 0.823 (0;001) ✗ 02/02/17
RbNa7(CoO3)2 ICSD 66006 C2/m (12) ✔ 16 142 1 0.0 0.013 0.132 (0;001) ✗ 02/02/17
NbCo2Sn ICSD 190616 Pmma (51) ✔ 16 244 3 0.0 0.002 0.708 (0;100) ✗ 02/02/17
Co2NiS4 ICSD 624468 Fd-3m (227) ✔ 14 136 3 0.0 0.030 0.439 (0;000) ✗ 02/02/17
CrAs ICSD 23589 Pmnb (62) ✔ 8 76 3 0.0 0.000 0.426 (1;011) ✗ 06/10/16
Sc3Co2Si3 ICSD 41745 Cmcm (63) ✔ 16 158 3 0.0 0.000 0.898 (1;000) ✗ 02/02/17
Zr3Co2Si3 ICSD 625141 Cmcm (63) ✔ 16 116 3 0.0 0.010 0.916 (0;000) ✗ 02/02/17
TaAgS3 ICSD 74442 Cmc2_1 (36) ✗ 10 84 3 0.0 0.017 0.102 (1;000) ✔ 06/10/16
YGa2Co3 COD 1524384 P6/mmm (191) ✔ 18 264 3 0.0 0.000 0.925 (0;000) ✗ 02/02/17
Y3GaCo3 COD 1525482 Cmcm (63) ✔ 14 194 3 0.0 0.000 0.884 (0;000) ✗ 02/02/17
Y2Co3Ge5 ICSD 623668 C2/c (15) ✔ 20 186 3 0.0 0.000 0.574 (0;101) ✗ 02/02/17
SbPdSe ICSD 648784 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.599 ? ✗ 06/10/16
Rb2Co3S4 ICSD 624797 Ibam (72) ✔ 18 186 2 0.0 0.000 0.976 (1;111) ✗ 02/02/17
Co3S4 COD 1011056 Fd-3m (227) ✔ 14 150 3 0.0 0.000 0.360 (0;000) ✗ 02/02/17
Co3Se4 ICSD 42538 Fd-3m (227) ✔ 14 150 3 0.0 0.000 0.329 (0;000) ✗ 02/02/17
Y2Co3Si5 ICSD 60757 Ibam (72) ✔ 20 186 3 0.0 0.001 0.662 (0;000) ✗ 02/02/17
Co3Sn2 ICSD 625259 Pnma (62) ✔ 20 316 3 0.0 0.000 0.520 (1;011) ✗ 02/02/17
SbPdSe ICSD 93905 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.599 ? ✗ 06/10/16
Co4SnSb12 ICSD 87886 Im3 (204) ✔ 17 142 3 0.0 0.000 0.669 (1;000) ✗ 02/02/17
Fe(CoS)8 ICSD 622969 Fm-3m (225) ✔ 17 192 3 0.0 0.000 0.689 (1;000) ✗ 02/02/17
Co8NiS8 ICSD 624466 Fm-3m (225) ✔ 17 194 3 0.0 0.000 0.982 (1;000) ✗ 02/02/17
Co8PdS8 ICSD 624682 Fm-3m (225) ✔ 17 202 3 0.0 0.000 0.982 (1;000) ✗ 02/02/17
Co8RuS8 ICSD 624822 Fm-3m (225) ✔ 17 200 3 0.0 0.017 0.699 (1;000) ✗ 02/02/17
Cr2CoS4 COD 9012046 Fd-3m (227) ✔ 14 138 3 0.0 0.001 0.420 (0;000) ✗ 02/02/17
YSiAg ICSD 605850 P-62m (189) ✗ 9 78 3 0.0 0.009 0.204 ? ✗ 06/10/16
Cs2CoS2 ICSD 67389 Ibam (72) ✔ 10 94 1 0.0 0.000 0.195 (0;000) ✗ 02/02/17
Cs2CoSe2 ICSD 67392 Ibam (72) ✔ 10 94 1 0.0 0.000 0.185 (0;000) ✗ 02/02/17
CsCoO2 ICSD 424937 Cmce (64) ✔ 16 152 3 0.0 0.008 0.657 (0;110) ✗ 02/02/17
NaCoF3 ICSD 4404 Pnma (62) ✔ 20 188 3 0.0 0.000 0.497 (0;110) ✗ 02/02/17
Ga3Co COD 1525237 P4_2/mnm (136) ✔ 16 224 3 0.0 0.005 0.289 (1;000) ✗ 02/02/17
YGaCo ICSD 623231 Pnma (62) ✔ 12 164 3 0.0 0.000 0.715 (1;011) ✗ 02/02/17
CoGeO3 ICSD 26814 C2/c (15) ✔ 20 156 3 0.0 0.005 0.333 (1;000) ✗ 02/02/17
YCoGe ICSD 601866 Pnma (62) ✔ 12 128 3 0.0 0.005 0.570 (1;000) ✗ 02/02/17
Hf4CoP ICSD 623784 P4/mcc (124) ✔ 12 140 3 0.0 0.004 0.353 (0;110) ✗ 02/02/17
ZnCoPHO5 ICSD 416823 P-1 (2) ✔ 18 130 3 0.0 0.018 0.624 (0;001) ✗ 02/02/17
Co(IN2)3 COD 9015112 Fm-3m (225) ✔ 10 68 1 0.0 0.033 0.289 (1;000) ✗ 02/02/17
Rb2CoI4 COD 1525243 P2_1/m (11) ✔ 14 126 1 0.0 0.000 0.615 (0;011) ✗ 02/02/17
In2Co COD 2106591 Fddd (70) ✔ 12 172 3 0.0 0.003 0.526 (1;111) ✗ 02/02/17
In2CoS4 ICSD 623937 Fd-3m (227) ✔ 14 134 3 0.0 0.000 0.883 (0;000) ✗ 02/02/17
In2CoSe4 ICSD 658918 Fd-3m (227) ✔ 14 134 3 0.0 0.000 0.762 (0;000) ✗ 02/02/17
In3Co COD 1524662 P4_2/mnm (136) ✔ 16 224 3 0.0 0.011 0.342 (0;000) ✗ 02/02/17
SbTePd ICSD 93906 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.702 ? ✗ 06/10/16
K2CoS2 ICSD 67387 Ibam (72) ✔ 10 94 1 0.0 0.002 0.162 (0;000) ✗ 02/02/17
K2CoSe2 ICSD 67390 Ibam (72) ✔ 10 94 1 0.0 0.001 0.278 (0;000) ✗ 02/02/17
Sr2LiCoN2 ICSD 72387 P4_2/mnm (136) ✔ 12 100 1 0.0 0.008 0.377 (1;000) ✗ 02/02/17
Y2MnCoO6 ICSD 188982 P2_1/c (14) ✔ 20 180 3 0.0 0.028 0.093 (0;000) ✗ 02/02/17
CoTeMo COD 1521136 Pmmn (59) ✔ 6 74 1 0.0 0.000 0.828 (0;000) ✗ 02/02/17
Na2CoS2 ICSD 67386 Ibam (72) ✔ 10 94 1 0.0 0.001 0.349 (0;000) ✗ 02/02/17
Na2CoSe2 ICSD 624264 Ibam (72) ✔ 10 94 1 0.0 0.003 0.333 (0;000) ✗ 02/02/17
NbCoTe2 COD 1005003 Cmce (64) ✔ 16 168 2 0.0 0.004 0.563 (0;000) ✗ 02/02/17
CoSeO3 ICSD 155489 Pnma (62) ✔ 20 164 3 0.0 0.000 0.663 (0;110) ✗ 02/02/17
SrCoO3 ICSD 108896 P2_1/m (11) ✔ 20 180 1 0.0 0.002 0.405 (1;001) ✗ 02/02/17
CoTeO3 ICSD 500 Pnma (62) ✔ 20 164 3 0.0 0.000 0.568 (0;110) ✗ 02/02/17
SrSiPd ICSD 69791 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.492 ? ✗ 06/10/16
CoSO4 COD 2310569 P2_1/m (11) ✔ 12 94 1 0.0 0.001 0.773 (1;010) ✗ 02/02/17
Cs2Mo ICSD 24902 Pnma (62) ✔ 12 128 1 0.0 0.009 0.467 (1;000) ✗ 02/02/17
CoTe(PbO3)2 ICSD 169193 P2_1/c (14) ✔ 20 174 3 0.0 0.000 0.876 (0;000) ✗ 02/02/17
Sr2CoReO6 ICSD 173491 P2_1/c (14) ✔ 20 176 3 0.0 0.035 0.475 (0;000) ✗ 02/02/17
Co(SbO3)2 COD 1530639 P4_2/mnm (136) ✔ 18 126 3 0.0 0.000 0.897 (0;000) ✗ 02/02/17
Sr2CoTeO6 ICSD 153002 P2_1/c (14) ✔ 20 158 3 0.0 0.000 0.898 (0;101) ✗ 02/02/17
Sr2CoWO6 ICSD 97662 P2_1/c (14) ✔ 20 174 3 0.0 0.000 0.979 (0;010) ✗ 02/02/17
Ta2CoO6 COD 1530640 P4_2/mnm (136) ✔ 18 158 3 0.0 0.000 0.833 (0;000) ✗ 02/02/17
CoP3 COD 1526482 Im3 (204) ✔ 16 128 3 0.0 0.000 0.141 (1;000) ✗ 02/02/17
Zr5CoPb3 ICSD 604209 P6_3/mcm (193) ✔ 18 158 3 0.0 0.000 0.889 (1;000) ✗ 02/02/17
Zr4CoP ICSD 624677 P4/mcc (124) ✔ 12 76 3 0.0 0.002 0.364 (0;110) ✗ 02/02/17
Rb2CoS2 ICSD 67388 Ibam (72) ✔ 10 94 1 0.0 0.001 0.149 (0;000) ✗ 02/02/17
Rb2CoSe2 ICSD 67391 Ibam (72) ✔ 10 94 1 0.0 0.001 0.180 (0;000) ✗ 02/02/17
Co(RhS2)2 ICSD 624812 Fd-3m (227) ✔ 14 150 3 0.0 0.000 0.432 (0;000) ✗ 02/02/17
CoSb2 ICSD 624891 P2_1/c (14) ✔ 12 108 3 0.0 0.026 0.117 (1;010) ✗ 02/02/17
Pb2O3 ICSD 36243 P2_1/m (11) ✔ 10 92 3 0.0 0.344 0.804 (0;000) ✔ 27/01/17
Zr5CoSb3 ICSD 624928 P6_3/mcm (193) ✔ 18 104 3 0.0 0.000 0.724 (1;000) ✗ 02/02/17
ScCoSn ICSD 624977 Pnma (62) ✔ 12 168 3 0.0 0.007 0.218 (0;000) ✗ 02/02/17
CoSe2 COD 9012536 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.786 (1;111) ✗ 02/02/17
CoSn3 ICSD 166871 Cmce (64) ✔ 16 236 3 0.0 0.010 0.221 (1;000) ✗ 02/02/17
YCoSn ICSD 601850 Pnma (62) ✔ 12 168 3 0.0 0.023 0.522 (1;000) ✗ 02/02/17
Ta2Co ICSD 654790 P6_3/mcm (193) ✔ 12 172 3 0.0 0.004 0.518 (0;000) ✗ 02/02/17
TaCoTe2 ICSD 73738 P2_1/c (14) ✔ 16 168 2 0.0 0.000 0.235 (0;000) ✗ 02/02/17
CoTe2 ICSD 625403 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.761 (1;111) ✗ 02/02/17
Y3Co ICSD 192244 Pnma (62) ✔ 16 200 3 0.0 0.004 0.305 (1;000) ✗ 02/02/17
Cr2CuS4 COD 9012141 Fd-3m (227) ✔ 14 126 3 0.0 0.000 0.480 (0;000) ✗ 02/02/17
Cr2CuSe4 ICSD 625804 Fd-3m (227) ✔ 14 126 3 0.0 0.000 0.543 (0;000) ✗ 02/02/17
Cr2CuTe4 ICSD 625827 Fd-3m (227) ✔ 14 126 3 0.0 0.000 0.520 (0;000) ✗ 02/02/17
MnAs ICSD 16543 Pmnb (62) ✔ 8 80 3 0.0 0.004 0.326 (1;000) ✗ 06/10/16
Cr2FeS4 COD 9012149 Fd-3m (227) ✔ 14 120 3 0.0 0.006 0.370 (0;000) ✗ 02/02/17
YAgSn ICSD 245234 P6_3mc (186) ✗ 6 72 3 0.0 0.003 0.211 (1;000) ✔ 06/10/16
YAgSn ICSD 416375 P6_3mc (186) ✗ 6 72 3 0.0 0.000 0.211 (0;000) ✔ 06/10/16
Cr2HgS4 ICSD 626162 Fd-3m (227) ✔ 14 128 3 0.0 0.009 0.086 (0;000) ✗ 02/02/17
Cr2HgSe4 ICSD 626182 Fd-3m (227) ✔ 14 128 3 0.0 0.004 0.236 (0;000) ✗ 02/02/17
Cr2InPd2 ICSD 658292 P4/mbm (127) ✔ 10 154 3 0.0 0.000 0.704 (1;111) ✗ 02/02/17
YTlPd ICSD 105732 P-62m (189) ✗ 9 102 3 0.0 0.000 0.861 ? ✗ 06/10/16
SbPtS ICSD 649543 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.448 ? ✗ 06/10/16
Mn(CrS2)2 COD 9012044 Fd-3m (227) ✔ 14 134 3 0.0 0.000 0.808 (0;000) ✗ 02/02/17
Cr2S3 COD 9007440 P-31c (163) ✔ 20 184 3 0.0 0.001 0.589 (0;000) ✗ 02/02/17
Zn(CrS2)2 COD 9012048 Fd-3m (227) ✔ 14 128 3 0.0 0.001 0.187 (0;000) ✗ 02/02/17
Cr2Se3 ICSD 626703 P-31c (163) ✔ 20 184 3 0.0 0.004 0.488 (1;000) ✗ 02/02/17
CsS3 ICSD 66664 P-1 (2) ✔ 16 108 1 0.0 0.027 0.442 (1;100) ✗ 02/02/17
Zn(CrSe2)2 COD 9012050 Fd-3m (227) ✔ 14 128 3 0.0 0.001 0.239 (0;000) ✗ 02/02/17
Cr2Te3 COD 1527084 P-31c (163) ✔ 20 184 3 0.0 0.004 0.226 (0;000) ✗ 02/02/17
Cr5Ge3 ICSD 626080 I4/mcm (140) ✔ 16 164 3 0.0 0.001 0.549 (1;000) ✗ 02/02/17
ZrCr5P3 ICSD 409488 P2_1/m (11) ✔ 18 178 3 0.0 0.000 0.839 (0;010) ✗ 02/02/17
Cr5S8 ICSD 626594 C2/m (12) ✔ 13 118 3 0.0 0.016 0.487 (0;110) ✗ 02/02/17
Cr5Se8 ICSD 626705 C2/m (12) ✔ 13 118 3 0.0 0.006 0.514 (0;110) ✗ 02/02/17
Cr7Se8 COD 1008922 C2/m (12) ✔ 15 146 3 0.0 0.009 0.576 (0;111) ✗ 02/02/17
Sr2CrCuSO3 ICSD 84962 P4/nmm (129) ✔ 16 138 1 0.0 0.000 0.947 (1;001) ✗ 02/02/17
CrF4 ICSD 78778 P4_2/mnm (136) ✔ 20 168 2 0.0 0.023 0.922 (0;000) ✗ 02/02/17
Na3CrF6 ICSD 27070 P2_1/c (14) ✔ 20 166 1 0.0 0.000 0.617 (0;000) ✗ 02/02/17
Cr(GaS2)2 ICSD 626045 Fd-3m (227) ✔ 14 128 3 0.0 0.000 0.849 (0;000) ✗ 02/02/17
CrGaSe3 ICSD 66279 Pnma (62) ✔ 20 180 3 0.0 0.000 0.667 (1;011) ✗ 02/02/17
LiCr(GeO3)2 ICSD 174432 C2/c (15) ✔ 20 122 3 0.0 0.000 0.425 (1;011) ✗ 02/02/17
NaCr(GeO3)2 COD 2016854 C2/c (15) ✔ 20 134 3 0.0 0.000 0.468 (1;011) ✗ 02/02/17
CrGeTe3 ICSD 79270 R-3 (148) ✔ 10 72 2 0.0 0.031 0.084 (1;111) ✗ 02/02/17
SbPtSe ICSD 649563 P2_13 (198) ✗ 12 84 3 0.0 0.000 0.587 ? ✗ 06/10/16
Cr(InS2)2 ICSD 626203 Fd-3m (227) ✔ 14 128 3 0.0 0.000 0.698 (0;000) ✗ 02/02/17
CrInO3 ICSD 185586 Pnma (62) ✔ 20 180 3 0.0 0.000 0.603 (0;110) ✗ 02/02/17
LiCr(SiO3)2 COD 9008442 C2/c (15) ✔ 20 122 3 0.0 0.000 0.437 (1;101) ✗ 02/02/17
Y2MnCrO6 ICSD 188476 P2_1/c (14) ✔ 20 174 3 0.0 0.000 0.840 (1;101) ✗ 02/02/17
Cr(Mo3Se4)2 ICSD 626324 P-1 (2) ✔ 15 146 3 0.0 0.025 0.139 (0;111) ✗ 02/02/17
VCrMoO7 ICSD 408563 P-1 (2) ✔ 20 166 3 0.0 0.010 0.423 (0;001) ✗ 02/02/17
Sr3CrN3 ICSD 154803 P6_3/m (176) ✔ 14 118 1 0.0 0.000 0.364 (0;000) ✗ 02/02/17
Na4CrO4 ICSD 62676 P-1 (2) ✔ 18 148 1 0.0 0.004 0.733 (1;010) ✗ 02/02/17
Nb4CrSi3 ICSD 601734 I4/mcm (140) ✔ 16 156 3 0.0 0.003 0.726 (0;000) ✗ 02/02/17
NbCrSe5 ICSD 35044 P2_1/m (11) ✔ 14 114 2 0.0 0.000 0.911 (0;010) ✗ 02/02/17
YCrO3 ICSD 185525 Pnma (62) ✔ 20 172 3 0.0 0.000 0.319 (0;110) ✗ 02/02/17
YCrO3 ICSD 236372 Pnma (62) ✔ 20 172 3 0.0 0.001 0.458 (0;110) ✗ 02/02/17
Zr6Sb2Pt ICSD 157366 P-62m (189) ✗ 9 44 3 0.0 0.000 0.847 (0;000) ✔ 06/10/16
Ta2CrO6 COD 1001053 Pmna (53) ✔ 18 152 2 0.0 0.010 0.756 (0;000) ✗ 02/02/17
YCrTeO6 ICSD 164948 P-31c (163) ✔ 18 134 3 0.0 0.000 0.550 (0;000) ✗ 02/02/17
CrPb2 COD 4031247 C2/m (12) ✔ 6 84 1 0.0 0.007 0.581 (0;111) ✗ 02/02/17
CrPSe3 ICSD 626521 C2/m (12) ✔ 10 74 2 0.0 0.007 0.417 (0;001) ✗ 02/02/17
CrSbS3 ICSD 74601 Pnma (62) ✔ 20 148 3 0.0 0.000 0.225 (0;011) ✗ 02/02/17
CrSbSe3 ICSD 84866 Pnma (62) ✔ 20 148 3 0.0 0.000 0.503 (0;011) ✗ 02/02/17
CrSiTe3 ICSD 626810 R-3 (148) ✔ 10 72 2 0.0 0.030 0.030 (1;111) ✗ 02/02/17
CrSn2 COD 1528217 Fddd (70) ✔ 12 168 3 0.0 0.010 0.440 (1;111) ✗ 02/02/17
O2 ICSD 92775 Cmcm (63) ✔ 2 12 1 0.0 0.025 0.339 (0;000) ✗ 27/01/17
TaReSi ICSD 650119 P-62m (189) ✗ 9 96 3 0.0 0.000 0.646 ? ✗ 06/10/16
MoAs ICSD 43188 Pmnb (62) ✔ 8 76 3 0.0 0.000 0.564 (0;011) ✗ 06/10/16
YSnRh ICSD 650406 P-62m (189) ✗ 9 126 3 0.0 0.000 0.903 ? ✗ 06/10/16
ZrSiRu ICSD 16306 P-62m (189) ✗ 9 72 3 0.0 0.000 0.834 ? ✗ 06/10/16
ZrSiRu ICSD 600432 P-62m (189) ✗ 9 72 3 0.0 0.000 0.824 ? ✗ 06/10/16
Cs2VF6 ICSD 6041 Cmcm (63) ✔ 18 146 1 0.0 0.000 0.899 (1;110) ✗ 02/02/17
Cs2K4Fe2O5 ICSD 65942 C2/m (12) ✔ 13 100 1 0.0 0.012 0.098 (0;000) ✗ 02/02/17
AsRh ICSD 42572 Pmnb (62) ✔ 8 88 3 0.0 0.044 0.380 (0;000) ✗ 06/10/16
Cu2Se ICSD 30230 F-43m (216) ✗ 3 28 3 0.0 0.000 0.097 (1;000) ✔ 06/10/16
AsRu ICSD 42577 Pmnb (62) ✔ 8 84 3 0.0 0.002 0.208 (0;011) ✗ 06/10/16
Cd3As2 ICSD 56167 Pn-3m (224) ✔ 10 92 3 0.0 0.006 0.213 (0;111) ✗ 30/01/17
CoAs2 ICSD 610034 Pmnn (58) ✔ 6 38 3 0.0 0.000 0.925 (1;000) ✗ 06/10/16
Tl(ZnSb)2 ICSD 76499 I4 (79) ✗ 10 94 3 0.0 0.005 0.747 ? ✗ 06/10/16
CuAs2 ICSD 610303 Pnnm (58) ✔ 6 42 3 0.0 0.000 0.929 (0;110) ✗ 05/01/17
Cs2PdI6 COD 4300059 Fm-3m (225) ✔ 9 78 1 0.0 0.229 0.052 (0;000) ✗ 02/02/17
NbNiTe2 ICSD 71841 Pma2 (28) ✗ 16 140 2 0.0 0.003 0.197 ? ✗ 04/08/17
Ge3Rh5 ICSD 42776 Pbam (55) ✔ 16 194 3 0.0 0.000 0.892 (1;100) ✗ 02/02/17
Zr4CuP ICSD 108398 P4/mcc (124) ✔ 12 64 3 0.0 0.008 0.435 (0;110) ✗ 02/02/17
CuWO4 ICSD 169004 P-1 (2) ✔ 12 126 1 0.0 0.008 0.766 (0;010) ✗ 11/04/17
YInCu4 ICSD 628179 F-43m (216) ✗ 6 68 3 0.0 0.502 0.123 (0;000) ✔ 15/02/17
Ge3W5 ICSD 638118 I4/mcm (140) ✔ 16 304 3 0.0 0.010 0.719 (0;000) ✗ 11/04/17
TaNi2TeSe ICSD 86174 Pnma (62) ✔ 20 180 2 0.0 0.001 0.907 (0;011) ✗ 02/02/17
C4S3N5 COD 4116668 P-1 (2) ✔ 24 118 1 0.0 0.002 0.875 (0;010) ✗ 04/08/17
YB4Mo COD 1511488 Pbam (55) ✔ 24 148 3 0.0 0.113 0.250 (0;000) ✗ 04/08/17
TlSbF4 COD 1530522 P2_1/c (14) ✔ 24 184 1 0.0 3.540 1.000 (0;000) ✗ 04/08/17
TiAl2 ICSD 107009 I4_1/amd (141) ✔ 12 72 3 0.0 0.003 0.599 (1;111) ✗ 16/03/17
ZnB3Ir4 COD 1510918 Pmmm (47) ✔ 16 178 3 0.0 0.013 0.860 (0;010) ✗ 21/03/17
In2NiS4 ICSD 640128 Fd-3m (227) ✔ 14 120 3 0.0 0.000 0.617 (0;000) ✗ 02/02/17
Ca3Pd ICSD 619504 Pnma (62) ✔ 16 192 1 0.0 0.007 0.320 (1;000) ✗ 21/03/17
Ca2MnSbO6 ICSD 246090 P2_1/m (11) ✔ 20 152 3 0.0 0.003 1.000 (0;000) ✗ 21/03/17
TaSe2 ICSD 24318 R3m (160) ✗ 6 50 1 0.0 0.012 0.796 ? ✗ 15/02/17
YS2NO6 COD 2100265 P2_1/c (14) ✔ 20 128 3 0.0 0.013 0.544 (1;000) ✗ 02/02/17
GePd5 ICSD 637537 C2 (5) ✗ 12 188 3 0.0 0.006 0.556 ? ✗ 15/02/17
V4SiSb2 ICSD 82564 I4/mcm (140) ✔ 14 132 3 0.0 0.007 0.927 (1;000) ✗ 02/02/17
TaSe3 ICSD 43213 P2_1/m (11) ✔ 16 124 3 0.0 0.042 0.158 (0;011) ✗ 02/02/17
Sr2NiN2 COD 1526740 Pnma (62) ✔ 20 160 1 0.0 0.001 0.269 (0;000) ✗ 02/02/17
Bi4Pb(ClO3)2 ICSD 425741 I4/mmm (139) ✔ 13 124 1 0.0 0.101 0.603 (0;000) ✗ 21/03/17
Mn2AlCo ICSD 160703 F-43m (216) ✗ 4 50 3 0.0 0.000 0.698 ? ✗ 15/02/17
LiSn4Ir COD 1529009 I4/mcm (140) ✔ 12 152 3 0.0 0.020 0.279 (0;000) ✗ 02/02/17
B3Ru7 COD 1510953 P6_3mc (186) ✗ 20 242 3 0.0 0.000 0.771 ? ✗ 21/03/17
CaBi2(CO4)2 COD 9004678 Immm (71) ✔ 13 96 1 0.0 0.009 0.446 (0;111) ✗ 21/03/17
NiP ICSD 188064 Cmc2_1 (36) ✗ 12 90 3 0.0 0.000 0.451 ? ✗ 15/02/17
YSi3 ICSD 263005 I4/mmm (139) ✔ 16 92 3 0.0 0.004 0.638 (0;000) ✗ 02/02/17
Li7Sn3 COD 7221164 P2_1/m (11) ✔ 20 126 1 0.0 0.000 0.982 (0;000) ✗ 02/02/17
I3N COD 9014796 Pnma (62) ✔ 16 104 1 0.0 0.005 0.530 (0;000) ✗ 02/02/17
Li2AlAg COD 1509206 F-43m (216) ✗ 4 20 3 0.0 0.000 0.849 ? ✗ 16/03/17
Zr5Sn3N ICSD 656291 P6_3/mcm (193) ✔ 18 134 3 0.0 0.000 0.779 (0;000) ✗ 02/02/17
FeCu2GeS4 COD 9012061 I-42m (121) ✗ 8 58 3 0.0 0.007 0.602 ? ✗ 15/02/17
Sc5Ge3 ICSD 637829 P6_3/mcm (193) ✔ 16 134 3 0.0 0.000 0.697 (1;000) ✗ 02/02/17
CaBiAu COD 1510599 F-43m (216) ✗ 3 36 3 0.0 0.000 0.226 (1;000) ✔ 15/02/17
Sr4Re2NiO12 ICSD 16419 R-3m (166) ✔ 19 152 1 0.0 0.029 0.040 (0;000) ✗ 02/02/17
Cr3Si5 ICSD 626782 I4/mcm (140) ✔ 16 124 3 0.0 0.001 0.877 (1;111) ✗ 22/03/17
LiInSn ICSD 639905 F-43m (216) ✗ 3 30 3 0.0 0.000 0.187 (1;000) ✔ 15/02/17
SbAsO3 COD 9015432 P2_1/c (14) ✔ 20 112 2 0.0 3.554 1.000 (0;000) ✗ 21/03/17
Li2CrF6 COD 1525286 P2_1/c (14) ✔ 18 124 1 0.0 0.018 0.019 (0;000) ✗ 22/03/17
Cr5B3 COD 7209448 I4/mcm (140) ✔ 16 158 3 0.0 0.000 0.774 (0;111) ✗ 21/03/17
ZrTe3 ICSD 653232 P2_1/m (11) ✔ 8 44 2 0.0 0.020 0.559 (0;000) ✗ 02/02/17
Hf2Te ICSD 83965 C2/m (12) ✔ 12 120 3 0.0 0.020 0.842 (0;000) ✗ 02/02/17
FeCu2SnS4 COD 1011151 I-42m (121) ✗ 8 68 3 0.0 0.001 0.361 (1;111) ✔ 15/02/17
LiV2O5 COD 1529744 Cmcm (63) ✔ 16 118 2 0.0 0.000 0.985 (1;000) ✗ 02/02/17
Y3Ru ICSD 650772 Pnma (62) ✔ 16 196 3 0.0 0.001 0.221 (1;110) ✗ 02/02/17
CaGaH4 ICSD 240695 P2_1 (4) ✗ 12 54 1 0.0 0.001 0.416 ? ✗ 15/02/17
Zr ICSD 31668 C2/c (15) ✔ 6 24 1 0.0 0.022 0.320 (0;000) ✗ 02/02/17
SrMgSn COD 1523525 Pnma (62) ✔ 12 136 3 0.0 0.011 0.116 (0;000) ✗ 02/02/17
Ti3Pt5 COD 1522192 Ibam (72) ✔ 16 172 3 0.0 0.012 0.670 (0;000) ✗ 29/03/17
Te3Pt2 ICSD 41371 R-3m (166) ✔ 10 76 3 0.0 0.026 0.806 (1;111) ✗ 29/03/17
Sr2YRuO6 ICSD 49500 P2_1/c (14) ✔ 20 166 3 0.0 0.000 0.798 (0;101) ✗ 02/02/17
Sb7Mo3 ICSD 173972 Im-3m (229) ✔ 20 154 3 0.0 0.000 0.772 (0;111) ✗ 02/02/17
CsMnSb ICSD 627027 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.782 (1;001) ✗ 02/02/17
GaPt3 COD 1523390 I4/mcm (140) ✔ 8 86 3 0.0 0.000 0.553 (0;111) ✗ 02/02/17
Ta5Ga3 ICSD 635482 I4/mcm (140) ✔ 16 208 3 0.0 0.018 0.631 (0;000) ✗ 02/02/17
Ga3Rh ICSD 635208 P4_2/mnm (136) ✔ 16 224 3 0.0 0.006 0.327 (0;000) ✗ 02/02/17
Ca5MnPb3 ICSD 240157 P6_3/mcm (193) ✔ 18 214 1 0.0 0.000 0.830 (0;000) ✗ 21/03/17
Sr(NiP2)2 COD 4002218 Fddd (70) ✔ 14 100 2 0.0 0.006 0.534 (1;111) ✗ 02/02/17
MnSbPt ICSD 643379 F-43m (216) ✗ 3 30 3 0.0 0.002 0.785 ? ✗ 15/02/17
Sr2Mn2O5 COD 9015609 Pbam (55) ✔ 18 160 3 0.0 0.005 0.685 (1;000) ✗ 02/02/17
Te2Mo COD 2310356 P2_1/m (11) ✔ 12 104 2 0.0 0.034 0.170 (0;000) ✗ 02/02/17
NaSbO3 COD 1010156 Fd-3m (227) ✔ 20 128 3 0.0 0.000 0.586 (0;000) ✗ 02/02/17
HfSnPt COD 1522662 F-43m (216) ✗ 3 36 3 0.0 0.072 0.476 ? ✗ 15/02/17
Y4Ga12Pt ICSD 153909 Im-3m (229) ✔ 17 210 3 0.0 0.000 0.444 (0;000) ✗ 02/02/17
FeCu2GeSe4 ICSD 627313 I-42m (121) ✗ 8 58 3 0.0 0.007 0.513 ? ✗ 15/02/17
ZnSb COD 9008882 Pbca (61) ✔ 16 136 3 0.0 0.431 0.011 (0;000) ✗ 02/02/17
Hf3Rh5 COD 1523697 Pbam (55) ✔ 16 242 3 0.0 0.000 0.872 (1;111) ✗ 02/02/17
MnFeCoGe ICSD 186831 F-43m (216) ✗ 4 44 3 0.0 0.007 0.290 (0;000) ✔ 15/02/17
SrSnPt ICSD 412012 Pnma (62) ✔ 12 136 3 0.0 0.061 0.369 (1;000) ✗ 02/02/17
K2NaFeO3 ICSD 36380 Cmme (67) ✔ 14 106 1 0.0 0.000 0.516 (0;110) ✗ 02/02/17
Ga2AsRh5 ICSD 56973 Pbam (55) ✔ 16 232 3 0.0 0.023 0.577 (1;000) ✗ 21/03/17
Tl4SnSe3 ICSD 651938 I4/mcm (140) ✔ 16 168 3 0.0 0.052 0.044 (0;000) ✗ 02/02/17
Tl2SiSe3 ICSD 35042 P-1 (2) ✔ 12 96 2 0.0 0.048 0.603 (1;100) ✗ 02/02/17
TlF ICSD 9873 Pma2 (28) ✗ 8 80 2 0.0 0.011 0.067 (1;000) ✔ 15/02/17
Te COD 1011098 P3_121 (152) ✗ 3 18 3 0.0 0.000 0.016 (0;000) ✔ 15/02/17
Ni2SbTe2 COD 1533053 P6_3/mmc (194) ✔ 10 74 2 0.0 0.000 0.889 (0;000) ✗ 02/02/17
Ti4P3 ICSD 648219 I-43d (220) ✗ 14 126 3 0.0 0.000 0.966 ? ✗ 29/03/17
CuI ICSD 246690 Cmcm (63) ✔ 4 36 3 0.0 0.172 0.164 (0;000) ✗ 22/03/17
LiGe COD 4030886 I4_1/a (88) ✔ 16 56 3 0.0 0.099 0.259 (1;111) ✗ 02/02/17
Fe2O COD 2101926 P4mm (99) ✗ 3 22 1 0.0 0.000 0.526 ? ✗ 22/03/17
ScB4Os3 COD 1511504 Cmcm (63) ✔ 16 142 3 0.0 0.000 0.672 (1;110) ✗ 21/03/17
Ba(MgSn)2 ICSD 41915 P4/nmm (129) ✔ 20 232 3 0.0 0.004 0.429 (0;001) ✗ 21/03/17
NaTi2HO5 ICSD 162109 P1 (1) ✗ 9 64 2 0.0 0.029 0.322 (0;000) ✔ 15/02/17
KCd4As3 COD 4326068 R-3m (166) ✔ 8 72 2 0.0 0.080 0.031 (0;111) ✗ 21/03/17
ZrSb ICSD 52404 Cmcm (63) ✔ 12 54 3 0.0 0.000 0.705 (1;000) ✗ 02/02/17
Hf3Nb2Ga3 COD 1523236 P6_3/mcm (193) ✔ 16 202 3 0.0 0.000 0.460 (1;000) ✗ 02/02/17
Te2Ir COD 1526498 Pnma (62) ✔ 12 116 3 0.0 0.001 0.211 (0;011) ✗ 02/02/17
P2Pt5 ICSD 24327 C2/c (15) ✔ 14 120 3 0.0 0.057 0.437 (0;110) ✗ 02/02/17
Sr5Si3 COD 8101453 I4/mcm (140) ✔ 16 124 1 0.0 0.011 0.586 (0;000) ✗ 02/02/17
SrLiGe2 ICSD 162582 Pnma (62) ✔ 16 84 1 0.0 0.000 0.670 (1;011) ✗ 02/02/17
Sr(Ni2Sn)2 ICSD 418131 I4/mcm (140) ✔ 14 156 3 0.0 0.001 0.333 (1;111) ✗ 02/02/17
SrIn4Ni ICSD 418178 Cmcm (63) ✔ 12 144 3 0.0 0.013 0.790 (0;000) ✗ 02/02/17
CsMnI3 COD 1528241 P6_3/mmc (194) ✔ 10 90 1 0.0 0.001 0.698 (0;000) ✗ 02/02/17
YOs2 ICSD 150518 P6_3/mmc (194) ✔ 12 172 3 0.0 0.002 0.921 (0;000) ✗ 02/02/17
Si3Ir ICSD 26218 P6_3mc (186) ✗ 8 58 3 0.0 0.000 0.767 ? ✗ 15/02/17
ZrGePd ICSD 637568 Pnma (62) ✔ 12 104 3 0.0 0.005 0.082 (1;000) ✗ 02/02/17
Zr5Sn3 ICSD 150562 P6_3/mcm (193) ✔ 16 124 3 0.0 0.004 0.512 (1;000) ✗ 02/02/17
SrCu(SeO3)2 ICSD 202389 C2/c (15) ✔ 20 138 2 0.0 0.001 0.987 (1;011) ✗ 02/02/17
Nb2PdS5 ICSD 192215 C2/m (12) ✔ 16 148 3 0.0 0.035 0.342 (1;001) ✗ 02/02/17
Li(MoSe)3 ICSD 604519 P6_3/m (176) ✔ 14 126 1 0.0 0.000 0.338 (0;000) ✗ 02/02/17
TiO2 ICSD 657748 P2_1/m (11) ✔ 12 96 2 0.0 0.014 0.473 (0;000) ✗ 02/02/17
TiCu2Te3 ICSD 402631 C2/m (12) ✔ 12 104 3 0.0 0.016 0.199 (0;000) ✗ 02/02/17
Sc2Si2Pt3 ICSD 247425 Pbam (55) ✔ 14 120 3 0.0 0.143 0.235 (0;000) ✗ 02/02/17
MnSe2 COD 1010097 Pa3 (205) ✔ 12 108 3 0.0 0.000 0.381 (0;111) ✗ 02/02/17
Nb3Cl8 ICSD 408645 P-3m1 (164) ✔ 22 190 1 0.0 0.002 0.823 (1;000) ✗ 07/08/17
NbSe4 ICSD 645375 P4cc (103) ✗ 10 74 3 0.0 0.000 0.629 ? ✗ 29/03/17
Cu4NiGe2S7 ICSD 627755 C2 (5) ✗ 14 104 3 0.0 0.023 0.478 ? ✗ 22/03/17
Zr5ZnSb3 ICSD 651774 P6_3/mcm (193) ✔ 18 94 3 0.0 0.000 0.671 (1;000) ✗ 02/02/17
K4(NiO2)3 ICSD 426450 C2/m (12) ✔ 13 102 3 0.0 0.043 0.054 (0;000) ✗ 02/02/17
Ba7Al4Ge9 ICSD 417660 Fmm2 (42) ✗ 20 118 1 0.0 0.011 0.418 ? ✗ 16/03/17
SrIn4Pt ICSD 418180 Cmcm (63) ✔ 12 144 3 0.0 0.008 0.776 (1;110) ✗ 02/02/17
In(MoSe)3 ICSD 640016 P6_3/m (176) ✔ 14 146 3 0.0 0.000 0.311 (0;000) ✗ 02/02/17
TlRe COD 9015220 Imma (74) ✔ 4 56 1 0.0 0.002 0.224 (0;000) ✗ 02/02/17
Tl4PbSe3 ICSD 648545 I4/mcm (140) ✔ 16 168 3 0.0 0.016 0.044 (0;000) ✗ 02/02/17
ScZn2 ICSD 55576 P6_3/mmc (194) ✔ 12 140 3 0.0 0.001 0.746 (1;000) ✗ 02/02/17
Cu(BiO2)2 COD 2002233 I4 (79) ✗ 14 130 3 0.0 0.015 0.180 (0;000) ✔ 11/04/17
Y4Sb3 ICSD 651736 I-43d (220) ✗ 14 118 3 0.0 0.000 0.865 ? ✗ 29/03/17
HfNbP ICSD 75009 Pnma (62) ✔ 12 120 3 0.0 0.024 0.219 (1;000) ✗ 02/02/17
ScFe2 ICSD 633427 P6_222 (180) ✗ 18 162 3 0.0 0.002 0.704 ? ✗ 22/03/17
SrRuO3 ICSD 82977 Pnma (62) ✔ 20 176 2 0.0 0.020 0.552 (0;000) ✗ 02/02/17
SrGa3Pd ICSD 192026 Cmcm (63) ✔ 10 134 3 0.0 0.000 0.698 (1;000) ✗ 02/02/17
Y5Sb3 ICSD 651739 P6_3/mcm (193) ✔ 16 140 3 0.0 0.002 0.551 (0;000) ✗ 02/02/17
Hf4CuP ICSD 627906 P4/mcc (124) ✔ 12 128 3 0.0 0.008 0.574 (0;110) ✗ 02/02/17
Ti3Sb ICSD 43355 I4/mcm (140) ✔ 16 164 3 0.0 0.002 0.740 (1;111) ✗ 02/02/17
Zr3S4 ICSD 651475 Fd-3m (227) ✔ 14 72 3 0.0 0.000 0.543 (0;000) ✗ 02/02/17
Na4CoO4 ICSD 4196 P1 (1) ✗ 18 154 1 0.0 0.009 0.511 ? ✗ 22/03/17
Sc3Si3Ni ICSD 48004 C2/m (12) ✔ 14 110 3 0.0 0.011 0.732 (0;000) ✗ 02/02/17
SiPt3 ICSD 649613 P4/mbm (127) ✔ 8 68 3 0.0 0.019 0.278 (1;000) ✗ 02/02/17
Sr3Sn5 ICSD 165183 Cmcm (63) ✔ 16 200 1 0.0 0.026 0.390 (1;000) ✗ 02/02/17
CaTa2Bi2O9 ICSD 20667 I4/mmm (139) ✔ 14 120 3 0.0 0.000 0.338 (0;000) ✗ 21/03/17
Sn7Ir3 ICSD 412776 Im-3m (229) ✔ 20 298 3 0.0 0.000 0.370 (1;000) ✗ 02/02/17
ZnAg2SnS4 ICSD 605734 I-42m (121) ✗ 8 72 3 0.0 0.021 0.007 (1;000) ✔ 16/03/17
In7Pd3 ICSD 408314 Im-3m (229) ✔ 20 290 3 0.0 0.000 0.785 (1;000) ✗ 02/02/17
Zr2Al3 ICSD 58232 Fdd2 (43) ✗ 10 34 3 0.0 0.000 0.819 ? ✗ 15/02/17
YCI ICSD 400298 C2/m (12) ✔ 6 44 2 0.0 0.024 0.512 (0;000) ✗ 22/03/17
Ba3Tl2Cl2O5 COD 1001756 I4/mmm (139) ✔ 12 100 1 0.0 0.373 0.351 (0;000) ✗ 21/03/17
NiSb3 ICSD 190327 Im3 (204) ✔ 16 100 3 0.0 0.000 0.840 (1;111) ✗ 02/02/17
Zr4NiP ICSD 646191 P4/mcc (124) ✔ 12 62 3 0.0 0.000 0.580 (0;110) ✗ 02/02/17
YGaPt ICSD 635163 Pnma (62) ✔ 12 136 3 0.0 0.023 0.494 (1;000) ✗ 02/02/17
NaZr2TiF11 ICSD 78867 C2/m (12) ✔ 15 106 3 0.0 0.015 0.782 (0;000) ✗ 02/02/17
ScGaPd ICSD 635080 Pnma (62) ✔ 12 168 3 0.0 0.006 0.500 (1;000) ✗ 02/02/17
KOsNOF5 ICSD 166586 P2_1/m (11) ✔ 18 142 1 0.0 0.000 0.965 (0;000) ✗ 02/02/17
Sr3In4Pb ICSD 415937 Cmcm (63) ✔ 16 192 3 0.0 0.036 0.408 (1;110) ✗ 02/02/17
Zr5In3Cu ICSD 190115 P6_3/mcm (193) ✔ 18 140 3 0.0 0.001 0.630 (1;000) ✗ 02/02/17
Sr(Mo3S4)2 ICSD 644296 R-3 (148) ✔ 15 142 3 0.0 0.030 0.693 (1;000) ✗ 02/02/17
Zr5Sn3Se ICSD 656302 P6_3/mcm (193) ✔ 18 136 3 0.0 0.006 0.243 (0;000) ✗ 02/02/17
KCuCO3F COD 1000372 Pmc2_1 (26) ✗ 14 98 3 0.0 0.000 0.871 ? ✗ 15/02/17
CdSbAu COD 1510079 F-43m (216) ✗ 3 28 3 0.0 0.000 0.356 (0;000) ✔ 15/02/17
Si5Pt12 ICSD 77977 I4/m (87) ✔ 17 140 3 0.0 0.006 0.679 (1;111) ✗ 02/02/17
InGaTe2 ICSD 60084 I4/mcm (140) ✔ 8 76 3 0.0 0.076 0.065 (0;000) ✗ 02/02/17
TcCl3 COD 4329156 C2/m (12) ✔ 8 72 2 0.0 0.014 1.000 (1;000) ✗ 22/03/17
Ba4Zr(RuO4)3 ICSD 47133 R-3m (166) ✔ 20 164 3 0.0 0.002 0.486 (0;111) ✗ 21/03/17
K3N COD 1529114 P6_3/mcm (193) ✔ 8 64 1 0.0 0.004 0.203 (0;000) ✗ 02/02/17
Rb2PdI6 COD 1526585 Fm-3m (225) ✔ 9 78 1 0.0 0.222 0.082 (0;000) ✗ 02/02/17
SrMnO3 COD 1529598 P6_3/mmc (194) ✔ 20 172 3 0.0 0.003 0.317 (0;000) ✗ 02/02/17
RbFeS2 ICSD 633207 Immm (71) ✔ 8 58 1 0.0 0.018 0.069 (0;111) ✗ 02/02/17
NbSe2 ICSD 76577 P-6m2 (187) ✗ 12 100 1 0.0 0.003 0.775 ? ✗ 29/03/17
Na4CoO3 COD 1523213 Cc (9) ✗ 16 142 3 0.0 0.002 0.670 ? ✗ 22/03/17
ZrSbPd COD 1526315 Pnma (62) ✔ 12 108 3 0.0 0.001 0.324 (1;011) ✗ 02/02/17
Li2B2C COD 2019750 P-4m2 (115) ✗ 10 32 2 0.0 0.000 0.456 ? ✗ 15/02/17
Ca2Ge ICSD 39157 P6_3mc (186) ✗ 6 48 1 0.0 0.058 0.162 (0;000) ✔ 15/02/17
Sn3Pd COD 1522863 Cmce (64) ✔ 16 240 3 0.0 0.014 0.604 (1;000) ✗ 02/02/17
Sc COD 4326666 Ia3 (206) ✔ 16 176 3 0.0 0.000 0.865 (1;000) ✗ 29/03/17
FeAgS2 COD 1509337 I-42d (122) ✗ 8 62 3 0.0 0.000 0.737 ? ✗ 15/02/17
Li2CuSn2 ICSD 426084 I4_1/amd (141) ✔ 10 90 3 0.0 0.000 0.933 (1;111) ✗ 22/03/17
BaBi4(ClO3)2 ICSD 63365 I4/mmm (139) ✔ 13 120 2 0.0 0.001 0.671 (0;111) ✗ 21/03/17
Mn3GeIr ICSD 150394 P2_13 (198) ✗ 20 264 3 0.0 0.001 0.500 ? ✗ 22/03/17
SrTl2Pd COD 4313943 Cmcm (63) ✔ 8 108 3 0.0 0.005 0.540 (1;110) ✗ 02/02/17
Rb2Mn3O4 ICSD 425217 C2/c (15) ✔ 18 174 3 0.0 0.000 0.430 (0;101) ✗ 02/02/17
MnSiN2 COD 1531000 Pna2_1 (33) ✗ 16 116 3 0.0 0.001 0.438 ? ✗ 15/02/17
Zr5NiSb3 ICSD 646460 P6_3/mcm (193) ✔ 18 90 3 0.0 0.000 0.798 (0;000) ✗ 02/02/17
SrOsO3 ICSD 237732 Pnma (62) ✔ 20 176 3 0.0 0.006 0.582 (0;000) ✗ 02/02/17
Al4SiC4 ICSD 606255 P6_3mc (186) ✗ 18 64 3 0.0 0.002 0.493 ? ✗ 21/03/17
Cr3GeN ICSD 189872 P-42_1m (113) ✗ 10 102 3 0.0 0.000 0.910 ? ✗ 15/02/17
Ca(BH)2 ICSD 163473 Pnma (62) ✔ 20 72 2 0.0 0.007 0.740 (1;000) ✗ 04/08/17
CaNi3 ICSD 619444 R-3m (166) ✔ 12 120 3 0.0 0.001 0.607 (1;000) ✗ 22/03/17
Zr5Ge3 ICSD 76315 P6_3/mcm (193) ✔ 16 64 3 0.0 0.001 0.563 (1;000) ✗ 02/02/17
Sr3Hg ICSD 639226 Pnma (62) ✔ 16 168 2 0.0 0.010 0.233 (0;000) ✗ 02/02/17
Sr2MnMoO6 ICSD 187668 P2_1/c (14) ✔ 20 170 3 0.0 0.000 0.979 (0;101) ✗ 02/02/17
Sr2LiFe2N3 ICSD 71059 C2/c (15) ✔ 16 108 1 0.0 0.008 0.228 (1;000) ✗ 02/02/17
ZrNi5 ICSD 647157 F-43m (216) ✗ 6 54 3 0.0 0.001 0.892 ? ✗ 15/02/17
TlCuHSeO5 ICSD 36582 P2_1/m (11) ✔ 18 122 2 0.0 0.000 0.332 (0;000) ✗ 02/02/17
K2MgMo2(H2O5)2 ICSD 96782 P-1 (2) ✔ 19 120 2 0.0 0.002 0.262 (1;000) ✗ 02/02/17
In5Sb3 ICSD 640434 I4/mcm (140) ✔ 16 160 3 0.0 0.005 0.543 (1;111) ✗ 02/02/17
Li2GaAu COD 1510151 F-43m (216) ✗ 4 30 3 0.0 0.116 0.858 ? ✗ 15/02/17
Sc2FeS4 COD 1525394 Fd-3m (227) ✔ 14 108 3 0.0 0.007 0.325 (0;000) ✗ 02/02/17
K3LiIrO4 ICSD 75045 C2/c (15) ✔ 18 142 1 0.0 0.000 0.332 (1;100) ✗ 02/02/17
V4As2O13 ICSD 60781 P1 (1) ✗ 19 140 3 0.0 0.012 0.656 ? ✗ 21/03/17
ScFeO3 COD 4122825 R3c (161) ✗ 10 74 3 0.0 0.001 0.459 ? ✗ 15/02/17
V2Ga5 COD 9008112 P4/mbm (127) ✔ 14 182 3 0.0 0.000 0.896 (1;111) ✗ 02/02/17
CrAsO4 ICSD 62132 Pnma (62) ✔ 24 172 3 0.0 0.000 0.670 (0;101) ✗ 04/08/17
VBiO4 COD 9000051 Pbcn (60) ✔ 24 208 3 0.0 0.003 0.215 (1;000) ✗ 04/08/17
YGaRh ICSD 635221 Pnma (62) ✔ 12 164 3 0.0 0.001 0.885 (0;011) ✗ 02/02/17
Zr4NbGa3 ICSD 634794 I4/mcm (140) ✔ 16 136 3 0.0 0.001 0.724 (0;000) ✗ 02/02/17
Fe3C ICSD 42542 P6_322 (182) ✗ 8 56 3 0.0 0.000 0.433 ? ✗ 15/02/17
Li2Sn5 ICSD 26200 P4/mbm (127) ✔ 14 152 3 0.0 0.007 0.963 (0;000) ✗ 02/02/17
Rh2Se3 ICSD 650282 Pbcn (60) ✔ 20 208 3 0.0 0.007 0.042 (0;000) ✗ 02/02/17
Hf2Si4Cu ICSD 627913 Cmcm (63) ✔ 14 102 3 0.0 0.000 0.852 (0;110) ✗ 02/02/17
Na4WO5 ICSD 85063 P-1 (2) ✔ 20 188 2 0.0 0.022 0.061 (0;000) ✗ 11/04/17
Nb3SnS6 ICSD 74695 P6_322 (182) ✗ 20 178 3 0.0 0.000 0.972 ? ✗ 29/03/17
W ICSD 15905 Pbcm (57) ✔ 4 56 1 0.0 0.014 0.359 (0;000) ✗ 02/02/17
Ti4NiS8 ICSD 646389 C2/m (12) ✔ 13 106 3 0.0 0.005 0.324 (0;001) ✗ 02/02/17
Y2Si4Mo3 ICSD 76379 P2_1/c (14) ✔ 18 160 3 0.0 0.164 0.131 (1;000) ✗ 02/02/17
Y3Ge4 ICSD 88105 Cmcm (63) ✔ 14 98 3 0.0 0.000 0.868 (0;110) ✗ 02/02/17
SbO3 COD 9014718 P2_1/c (14) ✔ 16 92 3 0.0 0.015 0.301 (1;000) ✗ 02/02/17
Y4Ga12Fe COD 4314511 Im-3m (229) ✔ 17 208 3 0.0 0.000 0.680 (0;000) ✗ 02/02/17
Mn5Ge2 ICSD 40462 Ibam (72) ✔ 14 166 3 0.0 0.000 0.631 (0;100) ✗ 22/03/17
NaMn(GeO3)2 ICSD 237747 C2/c (15) ✔ 20 136 3 0.0 0.005 0.265 (0;110) ✗ 02/02/17
NbSe2 ICSD 645379 P6_3/mmc (194) ✔ 12 100 2 0.0 0.002 0.775 (0;000) ✗ 02/02/17
YMnNi4 ICSD 643173 F-43m (216) ✗ 6 66 3 0.0 0.000 0.568 ? ✗ 15/02/17
MgNi2 COD 2106100 P6_3/mmc (194) ✔ 24 240 3 0.0 0.005 0.765 (1;000) ✗ 04/08/17
AgAsS ICSD 604740 Pna2_1 (33) ✗ 12 88 3 0.0 0.029 0.147 (1;000) ✔ 26/04/17
V4NiS8 ICSD 35141 C2/m (12) ✔ 13 110 3 0.0 0.005 0.292 (1;111) ✗ 02/02/17
TaMnSi ICSD 643652 Ima2 (46) ✗ 18 192 3 0.0 0.007 0.448 ? ✗ 29/03/17
K(MoS)3 ICSD 30752 P6_3/m (176) ✔ 14 138 1 0.0 0.000 0.281 (0;000) ✗ 24/04/17
Ta2CrO6 COD 1001091 P4_2/mnm (136) ✔ 18 152 3 0.0 0.003 0.221 (0;000) ✗ 22/03/17
HfSb ICSD 107591 Cmcm (63) ✔ 12 102 3 0.0 0.000 0.647 (1;000) ✗ 02/02/17
Cs2NaCrF6 ICSD 9002 R-3m (166) ✔ 20 166 1 0.0 0.001 0.559 (0;000) ✗ 22/03/17
InTe ICSD 169430 I4/mcm (140) ✔ 8 76 3 0.0 0.029 0.057 (0;000) ✗ 02/02/17
Na2Mn3O7 COD 4002329 P-1 (2) ✔ 24 210 3 0.0 0.003 0.553 (0;010) ✗ 04/08/17
YSiPd2 ICSD 35087 Pnma (62) ✔ 16 204 3 0.0 0.001 0.403 (0;101) ✗ 02/02/17
CsO3 ICSD 33847 P2_1/c (14) ✔ 16 108 1 0.0 0.000 0.677 (1;111) ✗ 02/02/17
CsOsNOF5 ICSD 166587 P2_1/m (11) ✔ 18 142 1 0.0 0.000 0.670 (0;000) ✗ 02/02/17
KFe2S3 COD 9013453 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.338 (0;000) ✗ 02/02/17
Nb2O7 COD 7212095 Fd-3m (227) ✔ 18 136 3 0.0 0.000 0.607 (0;000) ✗ 02/02/17
Ta3SnS6 ICSD 74692 P6_3/mcm (193) ✔ 20 178 3 0.0 0.000 0.959 (0;000) ✗ 02/02/17
Ta2NiO6 COD 2002356 P4_2/mnm (136) ✔ 18 144 3 0.0 0.005 0.556 (0;000) ✗ 02/02/17
Sc2InPd2 ICSD 130036 P4/mbm (127) ✔ 10 142 3 0.0 0.000 0.844 (1;110) ✗ 02/02/17
Mn(InS2)2 COD 9012325 Fd-3m (227) ✔ 14 130 3 0.0 0.000 0.764 (0;000) ✗ 02/02/17
NbTe4 COD 2101236 P4/mcc (124) ✔ 10 74 1 0.0 0.000 0.474 (1;110) ✗ 02/02/17
YSiIr ICSD 427253 Pnma (62) ✔ 12 128 3 0.0 0.017 0.422 (1;000) ✗ 02/02/17
MnIn2NiO6 ICSD 237528 P2_1/c (14) ✔ 20 174 3 0.0 0.000 0.755 (1;111) ✗ 02/02/17
Ga3Re ICSD 635203 P4_2/mnm (136) ✔ 16 216 3 0.0 0.065 0.104 (0;000) ✗ 02/02/17
HfPt3 COD 1523507 P6_3/mmc (194) ✔ 16 168 3 0.0 0.024 0.300 (0;000) ✗ 02/02/17
RbV5Se8 ICSD 602326 C2/m (12) ✔ 14 122 3 0.0 0.003 0.595 (0;001) ✗ 02/02/17
CsVP2S7 COD 2204978 C2 (5) ✗ 11 74 2 0.0 0.007 0.762 ? ✗ 22/03/17
TaSe2 COD 1521538 P6_3/mmc (194) ✔ 12 100 2 0.0 0.013 0.869 (0;000) ✗ 02/02/17
NbI5 COD 7221145 P-1 (2) ✔ 12 96 1 0.0 0.048 0.113 (0;111) ✗ 02/02/17
Sc2MnS4 COD 1532031 Fd-3m (227) ✔ 14 122 3 0.0 0.000 0.688 (0;000) ✗ 02/02/17
Zr2InCu2 ICSD 130034 P4/mbm (127) ✔ 10 86 3 0.0 0.000 0.990 (1;110) ✗ 02/02/17
Ti(Mo3Se4)2 ICSD 644374 P-1 (2) ✔ 15 144 3 0.0 0.013 0.189 (1;101) ✗ 02/02/17
N2 COD 9012482 P2_13 (198) ✗ 4 20 1 0.0 0.000 0.442 ? ✗ 15/02/17
NiS COD 1011038 R3m (160) ✗ 6 48 3 0.0 0.000 0.430 ? ✗ 15/02/17
SrZn2 ICSD 246194 P6_3/mmc (194) ✔ 12 136 3 0.0 0.007 0.815 (0;000) ✗ 02/02/17
YMnO3 ICSD 188567 Pnma (62) ✔ 20 176 3 0.0 0.003 0.436 (0;000) ✗ 02/02/17
V5Ge3 ICSD 44504 P6_3/mcm (193) ✔ 16 154 3 0.0 0.000 0.642 (1;001) ✗ 02/02/17
ZrI3 COD 5910008 P6_3/mcm (193) ✔ 8 50 1 0.0 0.000 0.593 (0;000) ✗ 02/02/17
Sr2Ti2Sb2OF2 ICSD 167014 I4/mmm (139) ✔ 9 74 1 0.0 0.022 0.576 (0;000) ✗ 22/03/17
Y3Si3Pd2 ICSD 35086 Cmcm (63) ✔ 16 162 3 0.0 0.000 0.928 (0;110) ✗ 02/02/17
Na3(CuS)4 COD 7221194 Pbam (55) ✔ 22 190 1 0.0 0.000 0.997 (0;100) ✗ 07/08/17
K2ReO2 COD 2001934 I4_1/a (88) ✔ 20 180 3 0.0 0.017 0.165 (1;111) ✗ 02/02/17
NaZr2NiF11 COD 2004078 C2/m (12) ✔ 15 104 3 0.0 0.003 0.037 (0;000) ✗ 02/02/17
Ta2Fe ICSD 632739 P6_3/mcm (193) ✔ 12 136 3 0.0 0.005 0.257 (0;000) ✗ 02/02/17
Li2BiAu COD 1510601 F-43m (216) ✗ 4 32 3 0.0 0.000 0.249 (1;000) ✔ 15/02/17
Cs6Fe2O5 ICSD 73134 C2/m (12) ✔ 13 100 3 0.0 0.017 0.390 (0;000) ✗ 02/02/17
TePdI ICSD 50987 P4_2/mmc (131) ✔ 12 124 3 0.0 0.002 0.983 (1;110) ✗ 02/02/17
Cs2Mn3Se4 ICSD 78932 Ibam (72) ✔ 18 174 2 0.0 0.000 0.651 (0;111) ✗ 22/03/17
Ta3GaAu ICSD 611897 P2_13 (198) ✗ 20 252 3 0.0 0.000 0.567 ? ✗ 21/03/17
Cs(TeMo)3 ICSD 603673 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.262 (0;000) ✗ 02/02/17
Ta5Ge3 ICSD 44743 I4/mcm (140) ✔ 16 154 3 0.0 0.000 0.412 (0;111) ✗ 02/02/17
ZrTaNO ICSD 76012 P-6m2 (187) ✗ 4 28 3 0.0 0.002 0.712 ? ✗ 15/02/17
Zr5Sb3P ICSD 648093 P6_3/mcm (193) ✔ 18 80 3 0.0 0.000 0.817 (0;000) ✗ 02/02/17
Nb3PbS6 ICSD 74694 P6_3/mcm (193) ✔ 20 178 3 0.0 0.000 0.963 (0;000) ✗ 02/02/17
YMn2 ICSD 643877 P6_3/mmc (194) ✔ 12 164 3 0.0 0.004 0.699 (0;000) ✗ 02/02/17
Zr5FeSb3 ICSD 633412 P6_3/mcm (193) ✔ 18 86 3 0.0 0.000 0.810 (1;000) ✗ 02/02/17
Sn3O4 ICSD 174299 P2/c (13) ✔ 14 132 3 0.0 0.032 0.525 (0;100) ✗ 02/02/17
Ga7Ni3 ICSD 408313 Im-3m (229) ✔ 20 242 3 0.0 0.000 0.749 (1;000) ✗ 02/02/17
HfCu2Te3 ICSD 41072 C2/m (12) ✔ 12 104 3 0.0 0.155 0.068 (0;000) ✗ 02/02/17
ZrGeIr ICSD 636771 Pnma (62) ✔ 12 100 3 0.0 0.000 0.506 (1;011) ✗ 02/02/17
Cs3NiO2 ICSD 424578 P4_2/mnm (136) ✔ 12 98 3 0.0 0.000 0.766 (0;000) ✗ 02/02/17
KFeSe2 ICSD 40780 C2/c (15) ✔ 8 58 1 0.0 0.000 0.500 (1;101) ✗ 02/02/17
Hf4FeP ICSD 632255 P4/mcc (124) ✔ 12 122 3 0.0 0.000 0.836 (0;110) ✗ 02/02/17
YGaIr ICSD 634463 Pnma (62) ✔ 12 164 3 0.0 0.003 0.783 (0;011) ✗ 02/02/17
Mn3V2Si3 ICSD 643689 P6_3/mcm (193) ✔ 16 166 3 0.0 0.000 0.773 (1;001) ✗ 02/02/17
Ga3Ni5Sn2 ICSD 634933 Cmcm (63) ✔ 20 234 3 0.0 0.000 0.987 (1;000) ✗ 02/02/17
Sr4Fe4O11 COD 1521171 Cmmm (65) ✔ 19 138 3 0.0 0.003 0.601 (1;001) ✗ 02/02/17
SiO2 ICSD 155250 P3_221 (154) ✗ 9 48 3 0.0 0.000 0.007 (0;000) ✔ 15/02/17
Li2InAg COD 1509395 F-43m (216) ✗ 4 30 3 0.0 0.000 0.847 ? ✗ 15/02/17
K3V3O8 COD 1523955 P-3m1 (164) ✔ 14 114 2 0.0 0.027 0.580 (0;000) ✗ 02/02/17
HfTl2PbSe4 ICSD 237510 C2/c (15) ✔ 16 152 3 0.0 1.220 0.059 (0;000) ✗ 02/02/17
Hf4NiP ICSD 638708 P4/mcc (124) ✔ 12 126 3 0.0 0.000 0.515 (0;110) ✗ 02/02/17
Mn(SbS2)2 ICSD 411178 C2/m (12) ✔ 14 98 2 0.0 0.003 0.498 (1;111) ✗ 02/02/17
SrHg3 ICSD 247136 P6_3/mmc (194) ✔ 8 92 3 0.0 0.002 0.468 (1;000) ✗ 02/02/17
Y12Ni6Pb ICSD 54614 Im3 (204) ✔ 19 206 3 0.0 0.000 0.506 (1;000) ✗ 02/02/17
In2Te ICSD 640618 Pnnm (58) ✔ 24 256 3 0.0 0.019 0.909 (1;000) ✗ 04/08/17
Y5CuPb3 ICSD 107005 P6_3/mcm (193) ✔ 18 216 3 0.0 0.001 0.856 (1;000) ✗ 02/02/17
CdInGaS4 ICSD 2465 P3m1 (156) ✗ 7 62 2 0.0 0.009 0.128 (1;000) ✔ 22/03/17
LiAlSi ICSD 413257 F-43m (216) ✗ 3 10 3 0.0 1.721 0.008 (0;000) ✔ 15/02/17
Al4Cu2O7 COD 2002328 F-43m (216) ✗ 13 76 3 0.0 0.000 0.247 (1;000) ✔ 26/04/17
Cr3C ICSD 617486 Pnma (62) ✔ 16 184 3 0.0 0.011 0.371 (1;000) ✗ 22/03/17
Sc7P3 ICSD 648099 P6_3mc (186) ✗ 20 184 3 0.0 0.000 0.821 ? ✗ 29/03/17
BW2 COD 1511333 I4/mcm (140) ✔ 6 118 3 0.0 0.000 0.564 (1;000) ✗ 11/04/17
VSn2 COD 1528218 Fddd (70) ✔ 12 164 3 0.0 0.010 0.598 (1;111) ✗ 02/02/17
KV5S8 ICSD 602318 C2/m (12) ✔ 14 122 3 0.0 0.011 0.760 (0;001) ✗ 02/02/17
Sn3Pt2 COD 1522860 P6_3/mmc (194) ✔ 10 124 3 0.0 0.022 0.721 (1;000) ✗ 02/02/17
K2Mg5Sn3 ICSD 421342 I4/mmm (139) ✔ 10 110 1 0.0 0.014 0.150 (0;000) ✗ 02/02/17
Sr4Mg3Al5 COD 4311323 P6_3/mmc (194) ✔ 24 170 1 0.0 0.000 0.897 (0;000) ✗ 04/08/17
Hf2InCu2 ICSD 130032 P4/mbm (127) ✔ 10 118 3 0.0 0.000 0.987 (1;110) ✗ 02/02/17
Y2Zn17 COD 1522899 R-3m (166) ✔ 19 226 3 0.0 0.000 0.513 (1;000) ✗ 02/02/17
Sr(Sb3Ru)4 ICSD 42962 Im3 (204) ✔ 17 134 3 0.0 0.029 0.455 (0;000) ✗ 02/02/17
Ta3CrSe6 ICSD 626727 P6_322 (182) ✗ 20 178 3 0.0 0.001 0.761 ? ✗ 22/03/17
Zr2Ni2Sn ICSD 405564 P4_2/mnm (136) ✔ 20 168 3 0.0 0.008 0.422 (0;000) ✗ 02/02/17
SrSn3 ICSD 410956 R-3m (166) ✔ 16 208 3 0.0 0.028 0.516 (1;111) ✗ 02/02/17
TlTe3Pt2 ICSD 78787 P-3m1 (164) ✔ 12 102 3 0.0 0.261 0.145 (0;000) ✗ 02/02/17
Mn4As3 ICSD 80375 C2/m (12) ✔ 14 150 3 0.0 0.003 0.608 (1;111) ✗ 21/03/17
HfCoSb ICSD 108294 F-43m (216) ✗ 3 34 3 0.0 0.378 0.134 (0;000) ✔ 15/02/17
Li2GaIr ICSD 107085 F-43m (216) ✗ 4 36 3 0.0 0.051 0.669 ? ✗ 15/02/17
Ga2Fe2S5 ICSD 49912 P6_3/mmc (194) ✔ 18 144 2 0.0 0.040 0.189 (0;000) ✗ 02/02/17
Sr2MnCuSO3 ICSD 91199 P4/nmm (129) ✔ 16 140 1 0.0 0.003 0.963 (0;001) ✗ 02/02/17
KMnF3 ICSD 89343 P2_1/m (11) ✔ 20 180 3 0.0 0.006 0.776 (0;011) ✗ 02/02/17
CuTeO3 COD 1530570 P2_1/c (14) ✔ 20 140 3 0.0 0.011 0.099 (1;000) ✗ 02/02/17
YZnGe ICSD 163345 P6_3/mmc (194) ✔ 12 108 3 0.0 0.005 0.471 (1;000) ✗ 02/02/17
SrSbSe2F ICSD 171430 P4/nmm (129) ✔ 10 68 1 0.0 0.024 0.007 (0;000) ✗ 02/02/17
Hf2In5 ICSD 404531 P4/mbm (127) ✔ 14 178 3 0.0 0.000 0.923 (1;000) ✗ 02/02/17
Ge3Mo5 ICSD 637143 P6_3/mcm (193) ✔ 16 164 3 0.0 0.002 0.955 (0;000) ✗ 02/02/17
TiGeRu ICSD 637762 Ima2 (46) ✗ 18 192 3 0.0 0.025 0.584 ? ✗ 22/03/17
Zr5SiPb3 ICSD 604195 P6_3/mcm (193) ✔ 18 132 3 0.0 0.001 0.630 (0;000) ✗ 02/02/17
Zr3Pd4 ICSD 186415 R-3 (148) ✔ 14 168 3 0.0 0.000 0.709 (1;000) ✗ 02/02/17
MgNi3B2 ICSD 156018 P6_422 (181) ✗ 18 138 3 0.0 0.000 0.428 ? ✗ 15/02/17
Ta5Ge3 ICSD 44744 I4/mcm (140) ✔ 16 154 3 0.0 0.000 0.785 (1;000) ✗ 02/02/17
Zr5FePb3 ICSD 604198 P6_3/mcm (193) ✔ 18 140 3 0.0 0.004 0.678 (1;000) ✗ 02/02/17
TiS3 ICSD 41235 R3m (160) ✗ 4 30 1 0.0 0.000 0.227 (0;000) ✔ 11/04/17
Sb2Te3 ICSD 262172 C2/m (12) ✔ 10 56 3 0.0 0.037 0.556 (0;000) ✗ 02/02/17
Hf5ZnSb3 ICSD 42913 P6_3/mcm (193) ✔ 18 174 3 0.0 0.000 0.789 (1;000) ✗ 02/02/17
ReO3 COD 1523942 Im3 (204) ✔ 16 132 3 0.0 0.000 0.902 (0;111) ✗ 02/02/17
W2C ICSD 108194 Pbcn (60) ✔ 12 240 3 0.0 0.024 0.397 (1;000) ✗ 11/04/17
NaFe(GeO3)2 ICSD 180305 C2/c (15) ✔ 20 122 3 0.0 0.000 0.291 (1;101) ✗ 02/02/17
TlO2 ICSD 16230 Pnnm (58) ✔ 18 150 3 0.0 0.000 0.926 (0;110) ✗ 02/02/17
Cu6PbO8 COD 2102004 Fm-3m (225) ✔ 15 128 3 0.0 0.006 0.271 (0;000) ✗ 02/02/17
RbPbF3 ICSD 161148 Pnma (62) ✔ 20 176 3 0.0 0.011 0.578 (0;000) ✗ 02/02/17
Al5C3N COD 2310415 P6_3mc (186) ✗ 18 64 3 0.0 0.726 0.092 (0;000) ✔ 24/04/17
Zr5Sn3P ICSD 656295 P6_3/mcm (193) ✔ 18 134 3 0.0 0.000 0.681 (0;000) ✗ 02/02/17
CsSO3 COD 9015381 P-62c (190) ✗ 20 132 3 0.0 0.025 0.071 (0;000) ✔ 24/04/17
Hf3P2 COD 2005341 Pnma (62) ✔ 20 184 3 0.0 0.020 0.449 (1;000) ✗ 02/02/17
Ti4FeS8 COD 9012119 C2/m (12) ✔ 13 104 3 0.0 0.016 0.502 (0;001) ✗ 02/02/17
SiS4 ICSD 59708 P2_1/m (11) ✔ 10 56 1 0.0 0.017 0.532 (0;010) ✗ 02/02/17
NF2 COD 9016398 Pmna (53) ✔ 12 76 1 0.0 0.004 0.376 (1;011) ✗ 22/03/17
Rb(MoS)3 ICSD 30753 P6_3/m (176) ✔ 14 138 1 0.0 0.000 0.273 (0;000) ✗ 02/02/17
Y3Al3NiGe2 ICSD 76297 P-62m (189) ✗ 9 60 3 0.0 0.000 0.624 ? ✗ 15/02/17
Nb2Bi2PbO9 ICSD 61008 I4/mmm (139) ✔ 14 124 2 0.0 1.025 0.136 (0;000) ✗ 21/03/17
CuAsSe ICSD 610356 Pna2_1 (33) ✗ 12 88 3 0.0 0.031 0.192 (1;000) ✔ 21/03/17
CsFe2S3 COD 9013450 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.306 (0;110) ✗ 02/02/17
Cs3Pb4Au ICSD 107448 Pmmn (59) ✔ 16 188 1 0.0 0.030 0.340 (0;000) ✗ 21/03/17
Cr3C2 ICSD 653958 Pnma (62) ✔ 20 200 3 0.0 0.004 0.700 (1;000) ✗ 21/03/17
Sc(FeSi)2 ICSD 633456 Pbcm (57) ✔ 20 140 3 0.0 0.000 0.494 (0;000) ✗ 02/02/17
Nb4B3C2 ICSD 411623 Cmcm (63) ✔ 18 138 3 0.0 0.000 0.957 (0;110) ✗ 21/03/17
Sr2YIrO6 ICSD 88154 P2_1/c (14) ✔ 20 168 3 0.0 0.013 0.129 (0;000) ✗ 02/02/17
Fe2Re3 ICSD 108565 P4_132 (213) ✗ 20 244 3 0.0 0.000 0.588 ? ✗ 22/03/17
Ag2SnHgSe4 ICSD 95094 Pmn2_1 (31) ✗ 16 144 3 0.0 0.042 0.026 (1;000) ✔ 24/04/17
Hf5CuSn3 ICSD 107310 P6_3/mcm (193) ✔ 18 226 3 0.0 0.000 0.981 (0;000) ✗ 02/02/17
CaFeO2 ICSD 246244 P-42_1m (113) ✗ 8 60 1 0.0 0.001 0.641 ? ✗ 15/02/17
CaMnF5 COD 1518174 C2/c (15) ✔ 14 120 1 0.0 0.002 0.361 (0;000) ✗ 04/08/17
BW COD 9008954 I4_1/amd (141) ✔ 8 68 3 0.0 0.008 1.000 (1;111) ✗ 21/03/17
Sn ICSD 35503 C2/m (12) ✔ 1 14 1 0.0 0.300 0.504 (0;000) ✗ 02/02/17
Sr3Fe2Cu2Se2O5 ICSD 154203 I4/mmm (139) ✔ 14 110 1 0.0 0.001 0.694 (0;111) ✗ 22/03/17
Cs2CoSiO4 ICSD 93878 Cmc2_1 (36) ✗ 16 126 3 0.0 0.000 0.720 ? ✗ 22/03/17
Ca6Cu2Sn7 COD 4310163 C2/m (12) ✔ 15 180 3 0.0 0.009 0.739 (1;110) ✗ 21/03/17
Mg3Al8FeSi6 ICSD 27140 P-62m (189) ✗ 18 86 3 0.0 0.000 0.543 ? ✗ 16/03/17
In2Fe2Se5 ICSD 155025 P-3m1 (164) ✔ 18 144 1 0.0 0.009 0.778 (1;000) ✗ 02/02/17
IBrO COD 9009193 Pmmn (59) ✔ 6 40 2 0.0 0.022 0.474 (0;000) ✗ 21/03/17
SnPS3 ICSD 648056 C2/m (12) ✔ 10 74 2 0.0 0.016 0.440 (0;000) ✗ 02/02/17
Hf3Ni7 ICSD 2417 P-1 (2) ✔ 20 212 3 0.0 0.019 0.727 (0;110) ✗ 02/02/17
F2 COD 9012465 Pm-3n (223) ✔ 8 56 1 0.0 0.000 0.909 (1;000) ✗ 02/02/17
Cu(RhS2)2 COD 9012162 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.589 (0;000) ✗ 02/02/17
HfGa2 COD 1522868 I4_1/amd (141) ✔ 12 152 3 0.0 0.032 0.505 (1;111) ✗ 02/02/17
YSiRh ICSD 650347 Pnma (62) ✔ 12 128 3 0.0 0.030 0.538 (1;000) ✗ 02/02/17
KMnF3 ICSD 31821 Pnma (62) ✔ 20 180 3 0.0 0.002 0.510 (0;110) ✗ 02/02/17
HNF2 COD 9016159 Pmna (53) ✔ 16 80 1 0.0 0.002 0.279 (0;000) ✗ 02/02/17
Tl(MoSe)3 ICSD 603627 P6_3/m (176) ✔ 14 146 3 0.0 0.000 0.303 (0;000) ✗ 02/02/17
Hf5CuPb3 ICSD 107314 P6_3/mcm (193) ✔ 18 226 3 0.0 0.000 0.976 (0;000) ✗ 02/02/17
Hf2Al3 ICSD 608101 Fdd2 (43) ✗ 10 66 3 0.0 0.000 0.865 ? ✗ 15/02/17
Mg3Ir ICSD 106871 P6_3cm (185) ✗ 24 282 3 0.0 0.000 0.680 ? ✗ 04/08/17
Nb3CuTe4 ICSD 628496 P6_3/m (176) ✔ 16 148 3 0.0 0.001 0.667 (0;000) ✗ 02/02/17
Ta2O ICSD 28387 I-43m (217) ✗ 12 128 3 0.0 0.000 0.890 ? ✗ 15/02/17
CuSeO4 ICSD 109069 Pnma (62) ✔ 24 164 3 0.0 0.000 0.314 (0;101) ✗ 04/08/17
RbMnF4 ICSD 73587 P2_1/c (14) ✔ 24 208 1 0.0 0.008 0.119 (0;000) ✗ 04/08/17
BaV3O8 ICSD 82063 P2_1/m (11) ✔ 24 194 2 0.0 0.000 0.982 (1;011) ✗ 04/08/17
CrF5 ICSD 419661 Pbcm (57) ✔ 24 196 1 0.0 0.001 0.466 (0;000) ✗ 04/08/17
Mg2Hg COD 1523434 Pnma (62) ✔ 12 128 3 0.0 0.076 0.497 (1;000) ✗ 02/02/17
Co3B COD 1511066 Pnma (62) ✔ 16 216 3 0.0 0.018 0.208 (1;000) ✗ 21/03/17
GaPt3 ICSD 635146 P4/mbm (127) ✔ 8 86 3 0.0 0.000 0.694 (0;001) ✗ 02/02/17
YGePd2 ICSD 637566 Pnma (62) ✔ 16 204 3 0.0 0.000 0.393 (0;110) ✗ 02/02/17
Zr5GePb3 ICSD 604203 P6_3/mcm (193) ✔ 18 132 3 0.0 0.002 0.630 (0;000) ✗ 02/02/17
BiPd COD 9012856 Cmc2_1 (36) ✗ 16 264 3 0.0 0.001 0.869 ? ✗ 21/03/17
Sc3B2Rh5 COD 1510816 P4/mbm (127) ✔ 20 248 3 0.0 0.002 0.496 (1;000) ✗ 21/03/17
LiMgSnAu ICSD 16477 F-43m (216) ✗ 4 38 3 0.0 0.000 0.293 (1;000) ✔ 15/02/17
BaSiPt ICSD 604438 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.537 ? ✗ 21/03/17
PPd3 ICSD 647918 Pnma (62) ✔ 16 236 3 0.0 0.001 0.696 (0;110) ✗ 02/02/17
YPbAu COD 1510271 F-43m (216) ✗ 3 36 3 0.0 0.000 0.105 (1;000) ✔ 15/03/17
YSnPt ICSD 417531 Pnma (62) ✔ 12 140 3 0.0 0.001 0.753 (1;011) ✗ 02/02/17
YSiPt2 ICSD 649645 Pnma (62) ✔ 16 140 3 0.0 0.003 0.435 (0;101) ✗ 02/02/17
Sr5Sn3 COD 7221339 I4/mcm (140) ✔ 16 184 1 0.0 0.010 0.691 (1;000) ✗ 02/02/17
ZrCu ICSD 167598 Cm (8) ✗ 8 60 3 0.0 0.005 0.600 ? ✗ 15/02/17
Ca5Ag3 COD 1509954 I4/mcm (140) ✔ 16 166 1 0.0 0.001 0.709 (1;000) ✗ 16/03/17
Zr5GaSn3 COD 4002358 P6_3/mcm (193) ✔ 18 150 3 0.0 0.000 0.788 (1;000) ✗ 02/02/17
Hf5Si3 ICSD 53042 P6_3/mcm (193) ✔ 16 144 3 0.0 0.011 0.566 (1;000) ✗ 02/02/17
TiF3 ICSD 67148 R-3c (167) ✔ 8 66 3 0.0 0.000 0.753 (0;000) ✗ 22/03/17
PH3 COD 1010132 P4_232 (208) ✗ 16 32 1 0.0 0.002 0.604 ? ✗ 29/03/17
SrCdBi2 ICSD 58764 I4/mmm (139) ✔ 8 104 1 0.0 0.028 0.146 (0;000) ✗ 21/03/17
Ba(RhPb2)3 ICSD 58669 Cmcm (63) ✔ 20 290 3 0.0 0.000 0.940 (0;110) ✗ 21/03/17
Fe3O4 ICSD 65338 F-43m (216) ✗ 14 96 3 0.0 0.000 0.592 ? ✗ 15/02/17
KFe2Se3 ICSD 424672 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.658 (0;000) ✗ 02/02/17
Li2SO5 COD 9014347 P2_1 (4) ✗ 16 84 1 0.0 0.003 0.343 (0;100) ✔ 11/04/17
Y5Ga3 ICSD 635657 P6_3/mcm (193) ✔ 16 188 3 0.0 0.001 0.431 (0;000) ✗ 02/02/17
Ba(Sn2Ru)3 ICSD 427286 Cmcm (63) ✔ 20 284 3 0.0 0.006 0.953 (0;000) ✗ 21/03/17
ScSi3Ni2 ICSD 41771 I4/mmm (139) ✔ 12 86 3 0.0 0.009 0.936 (1;000) ✗ 29/03/17
Sr3Co2(ClO2)2 ICSD 251170 I4/mmm (139) ✔ 11 102 1 0.0 0.003 0.862 (0;000) ✗ 22/03/17
ScInCu4 ICSD 416528 F-43m (216) ✗ 6 68 3 0.0 0.413 0.159 (0;000) ✔ 15/03/17
GaFe2AgTe4 ICSD 192470 I-42m (121) ✗ 8 64 3 0.0 0.003 0.538 ? ✗ 16/03/17
Ba2MnO3 COD 2002251 Cc (9) ✗ 24 212 3 0.0 0.000 0.113 ? ✗ 04/08/17
CuB4O7 ICSD 391408 Cmcm (63) ✔ 24 130 3 0.0 0.000 0.905 (0;110) ✗ 04/08/17
Sn4Ir ICSD 641053 Ccce (68) ✔ 10 146 3 0.0 0.000 0.654 (0;000) ✗ 02/02/17
TiCdO3 ICSD 51698 Pmc2_1 (26) ✗ 20 168 3 0.0 0.005 0.548 ? ✗ 22/03/17
ZrSb ICSD 107692 P2_13 (198) ✗ 8 36 3 0.0 0.000 0.726 ? ✗ 15/02/17
HfGePd ICSD 418027 P2_1/m (11) ✔ 18 204 3 0.0 0.016 0.257 (1;000) ✗ 02/02/17
Na3VF6 ICSD 27347 P2_1/c (14) ✔ 20 164 1 0.0 0.003 0.034 (0;000) ✗ 02/02/17
Ca3Cu2(ClO2)2 ICSD 80546 I4/mmm (139) ✔ 11 90 2 0.0 0.001 0.970 (0;000) ✗ 21/03/17
Y3Pd ICSD 649111 Pnma (62) ✔ 16 204 3 0.0 0.000 0.261 (0;110) ✗ 02/02/17
Nb4Co2PdSe12 ICSD 41026 C2/m (12) ✔ 19 176 3 0.0 0.005 0.031 (1;001) ✗ 22/03/17
Ca3Hg ICSD 619363 Pnma (62) ✔ 16 168 2 0.0 0.019 0.464 (0;000) ✗ 21/03/17
CaRuO3 ICSD 165689 Pnma (62) ✔ 20 176 3 0.0 0.015 0.253 (0;000) ✗ 22/03/17
TaSe2 ICSD 24316 P-6m2 (187) ✗ 12 100 1 0.0 0.011 0.891 ? ✗ 29/03/17
Ca3Mn2O7 COD 1531133 Cmcm (63) ✔ 24 204 3 0.0 0.003 0.614 (0;000) ✗ 04/08/17
Sr7Au3 COD 1510514 P6_3mc (186) ✗ 20 206 1 0.0 0.000 0.862 ? ✗ 21/03/17
Nb3VS6 ICSD 645338 P6_322 (182) ✗ 20 176 3 0.0 0.000 0.362 ? ✗ 07/08/17
YSeF ICSD 2635 Pnma (62) ✔ 12 96 3 0.0 0.002 0.018 (1;000) ✗ 02/02/17
TlPd3 ICSD 649063 I4/mmm (139) ✔ 8 134 3 0.0 0.003 0.251 (1;000) ✗ 29/03/17
Ca2Ni7 ICSD 619443 R-3m (166) ✔ 18 180 3 0.0 0.003 0.630 (1;111) ✗ 21/03/17
K2Zr ICSD 27670 P6_3/mmc (194) ✔ 6 44 1 0.0 0.000 0.174 (1;000) ✗ 02/02/17
AlCu4 ICSD 606887 P2_13 (198) ✗ 20 188 3 0.0 0.000 0.605 ? ✗ 16/03/17
TiGeIr ICSD 636747 Ima2 (46) ✗ 18 198 3 0.0 0.001 0.801 ? ✗ 22/03/17
Hf9Ni11 ICSD 638706 I4/m (87) ✔ 20 218 3 0.0 0.001 0.502 (0;000) ✗ 29/03/17
B4W COD 2310108 P6_3/mmc (194) ✔ 20 160 3 0.0 0.018 0.540 (1;000) ✗ 11/04/17
As3W2 ICSD 43185 C2/m (12) ✔ 10 142 3 0.0 0.009 0.309 (0;111) ✗ 11/04/17
Cr2B2Ir ICSD 418162 Cmcm (63) ✔ 20 204 3 0.0 0.009 0.811 (0;110) ✗ 21/03/17
LiMgSbPt ICSD 44809 F-43m (216) ✗ 4 28 3 0.0 0.000 0.168 (0;000) ✔ 15/02/17
CsSc3(CuTe3)2 ICSD 417411 C2/m (12) ✔ 12 100 3 0.0 0.319 0.067 (0;000) ✗ 02/02/17
W COD 9008583 Pm-3n (223) ✔ 8 112 3 0.0 0.008 1.000 (1;000) ✗ 29/03/17
KNOF2 ICSD 240891 Pnma (62) ✔ 20 136 1 0.0 0.008 0.070 (1;000) ✗ 02/02/17
Ba4Bi3 ICSD 96943 I-43d (220) ✗ 14 170 1 0.0 0.000 0.721 ? ✗ 21/03/17
B2Pd5 COD 1525620 C2/c (15) ✔ 14 192 3 0.0 0.040 0.428 (1;000) ✗ 21/03/17
Pd5Pb3 ICSD 648361 C2 (5) ✗ 16 264 3 0.0 0.007 0.603 ? ✗ 29/03/17
Tc7B3 ICSD 615554 P6_3mc (186) ✗ 20 228 3 0.0 0.001 1.000 ? ✗ 21/03/17
Sr2ScFePO3 ICSD 168586 P4/nmm (129) ✔ 16 124 1 0.0 0.005 0.414 (0;000) ✗ 02/02/17
Al4W ICSD 58205 Cm (8) ✗ 15 120 3 0.0 0.008 0.676 ? ✗ 11/04/17
Cd4Cu7As COD 4329802 Pnnm (58) ✔ 24 260 3 0.0 0.011 0.349 (1;000) ✗ 04/08/17
CS2 COD 9015270 P3_221 (154) ✗ 9 48 3 0.0 0.007 0.167 (0;000) ✔ 15/03/17
Y2MgCu2 ICSD 411711 P4/mbm (127) ✔ 10 108 3 0.0 0.005 0.738 (0;000) ✗ 02/02/17
CuO2 ICSD 54129 Cmcm (63) ✔ 6 46 1 0.0 0.000 0.927 (0;110) ✗ 02/02/17
Zr5Sb3S ICSD 650833 P6_3/mcm (193) ✔ 18 82 3 0.0 0.000 0.871 (0;000) ✗ 02/02/17
Ti2FeB2Rh5 ICSD 380367 P4/mbm (127) ✔ 20 246 3 0.0 0.000 0.928 (0;110) ✗ 21/03/17
Cr5B2P ICSD 613539 I4/mcm (140) ✔ 16 162 3 0.0 0.001 0.788 (0;000) ✗ 21/03/17
Sr3(FeO3)2 ICSD 249014 I4/mmm (139) ✔ 11 82 1 0.0 0.008 0.799 (1;111) ✗ 22/03/17
Ge3Mo5 ICSD 637142 I4/mcm (140) ✔ 16 164 3 0.0 0.003 0.564 (0;000) ✗ 02/02/17
K(SnAu2)2 COD 7209420 I-4c2 (120) ✗ 14 162 3 0.0 0.011 0.694 ? ✗ 21/03/17
VO2 COD 1527408 P-1 (2) ✔ 12 100 2 0.0 0.011 0.534 (1;001) ✗ 02/02/17
MnPS3 ICSD 643231 C2/m (12) ✔ 10 76 2 0.0 0.007 0.609 (0;000) ✗ 02/02/17
CsNa2 ICSD 246932 P6_3/mmc (194) ✔ 12 108 1 0.0 0.004 0.725 (0;000) ✗ 02/02/17
MgCuSb ICSD 77364 F-43m (216) ✗ 3 26 3 0.0 0.000 0.243 (1;000) ✔ 15/02/17
LiMgSbPd ICSD 44808 F-43m (216) ✗ 4 36 3 0.0 0.000 0.225 (1;000) ✔ 15/02/17
Tl4Te3Pb ICSD 648621 I4/mcm (140) ✔ 16 168 3 0.0 0.040 0.020 (0;000) ✗ 02/02/17
Li2FeSnS4 ICSD 425761 Pc (7) ✗ 16 104 3 0.0 0.010 0.502 ? ✗ 22/03/17
Sr2GaGeN ICSD 420413 P2_1/m (11) ✔ 10 84 1 0.0 0.566 0.036 (0;000) ✗ 02/02/17
MnTe2 COD 9014758 Pa3 (205) ✔ 12 108 3 0.0 0.000 0.754 (0;111) ✗ 02/02/17
RbF3 ICSD 9935 P2_12_12_1 (19) ✗ 16 120 1 0.0 0.154 0.644 ? ✗ 22/03/17
Ca3Au COD 1510066 Pnma (62) ✔ 16 164 1 0.0 0.002 0.531 (0;110) ✗ 21/03/17
Zr5SiSb3 ICSD 57144 P6_3/mcm (193) ✔ 18 78 3 0.0 0.000 0.778 (0;000) ✗ 02/02/17
FeCu2SnS4 COD 9004745 I-42m (121) ✗ 8 68 3 0.0 0.004 0.365 (1;111) ✔ 15/02/17
Ti5Ga4 COD 1522851 P6_3/mcm (193) ✔ 18 224 3 0.0 0.001 0.619 (0;000) ✗ 02/02/17
Sr2MnWO6 ICSD 97745 P2_1/c (14) ✔ 20 170 3 0.0 0.000 0.966 (0;101) ✗ 02/02/17
TlCr3S5 ICSD 626645 C2/m (12) ✔ 18 170 3 0.0 0.003 0.729 (0;000) ✗ 22/03/17
Mg2Ga5 ICSD 23227 I4/mmm (139) ✔ 14 170 3 0.0 0.000 0.692 (1;111) ✗ 02/02/17
NCl COD 9016568 P4mm (99) ✗ 2 12 1 0.0 0.012 0.009 (0;000) ✔ 15/02/17
MnCu2GeSe4 ICSD 627741 Pmn2_1 (31) ✗ 16 130 3 0.0 0.000 0.746 ? ✗ 22/03/17
TaNi2Te3 ICSD 82605 P2_1/m (11) ✔ 12 102 3 0.0 0.000 0.972 (1;010) ✗ 02/02/17
MoPO7 COD 9016001 P2_1/m (11) ✔ 18 122 2 0.0 0.000 0.748 (1;011) ✗ 02/02/17
LiGaSi COD 1522611 F-43m (216) ✗ 3 20 3 0.0 0.272 0.020 (0;000) ✔ 15/02/17
ZrMnGe ICSD 53716 Pnma (62) ✔ 12 92 3 0.0 0.000 0.545 (1;011) ✗ 02/02/17
Sc3Fe2Si3 ICSD 84204 Cmcm (63) ✔ 16 122 3 0.0 0.000 0.904 (1;110) ✗ 02/02/17
Sr8Mn2FeN8 ICSD 409950 C2/m (12) ✔ 19 158 1 0.0 0.005 0.751 (0;000) ✗ 02/02/17
SrGaSn ICSD 66003 P6_3/mmc (194) ✔ 12 148 1 0.0 0.013 0.322 (0;000) ✗ 02/02/17
YSiNi ICSD 79598 Pnma (62) ✔ 12 100 3 0.0 0.000 0.811 (0;011) ✗ 02/02/17
YNiP ICSD 189498 P6_3/mmc (194) ✔ 12 104 3 0.0 0.003 0.547 (1;000) ✗ 02/02/17
Zr5SiSn3 ICSD 656294 P6_3/mcm (193) ✔ 18 132 3 0.0 0.000 0.562 (0;000) ✗ 02/02/17
Sr3(GeN)2 COD 1005027 P2_1/m (11) ✔ 14 96 1 0.0 0.026 0.958 (0;000) ✗ 02/02/17
Re3Ge7 ICSD 84208 Cmcm (63) ✔ 20 146 3 0.0 0.000 0.856 (1;000) ✗ 02/02/17
TiP ICSD 24148 P6_3/mcm (193) ✔ 12 102 3 0.0 0.000 0.880 (0;000) ✗ 02/02/17
Ba7Al10 ICSD 420092 R-3m (166) ✔ 17 100 1 0.0 0.042 0.127 (1;000) ✗ 16/03/17
CoMoO4 ICSD 23808 C2/m (12) ✔ 24 220 3 0.0 0.006 0.690 (1;000) ✗ 04/08/17
Na2CoGeO4 ICSD 200680 Pc (7) ✗ 16 126 3 0.0 0.000 0.734 ? ✗ 22/03/17
Rb(MoSe)3 ICSD 603629 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.308 (0;000) ✗ 02/02/17
KPb2 COD 1523701 P6_3/mmc (194) ✔ 12 148 3 0.0 0.005 0.568 (1;000) ✗ 02/02/17
NaTl ICSD 262066 P6_3/mmc (194) ✔ 8 88 1 0.0 0.009 0.204 (0;000) ✗ 02/02/17
VH2SeO5 ICSD 69994 P-1 (2) ✔ 18 102 3 0.0 0.064 0.004 (0;000) ✗ 02/02/17
SrMnSb2 ICSD 643539 Pmmn (59) ✔ 8 70 1 0.0 0.000 0.963 (1;000) ✗ 02/02/17
Zr2CuGe4 ICSD 84200 Cmcm (63) ✔ 14 70 3 0.0 0.000 0.774 (0;110) ✗ 02/02/17
Tl2PdSe2 ICSD 79601 Pbam (55) ✔ 10 112 3 0.0 0.318 0.215 (0;000) ✗ 02/02/17
YFeO3 COD 2101386 Pnma (62) ✔ 20 148 3 0.0 0.001 0.419 (0;110) ✗ 02/02/17
Zr5CuSn3 ICSD 656297 P6_3/mcm (193) ✔ 18 146 3 0.0 0.000 0.990 (1;000) ✗ 02/02/17
PtPb4 ICSD 648397 P4/nbm (125) ✔ 10 132 3 0.0 0.021 0.618 (1;000) ✗ 02/02/17
Ga7Pd3 ICSD 174527 Im-3m (229) ✔ 20 290 3 0.0 0.000 0.807 (1;000) ✗ 02/02/17
Hf3In4 ICSD 638568 P4/mbm (127) ✔ 14 176 3 0.0 0.000 0.432 (1;000) ✗ 02/02/17
NaFeO2 ICSD 33775 P4_12_12 (92) ✗ 16 116 3 0.0 0.003 0.434 ? ✗ 22/03/17
CsHg2 ICSD 408695 Imma (74) ✔ 6 66 3 0.0 0.000 0.434 (0;011) ✗ 02/02/17
Ga7Pt3 ICSD 635137 Im-3m (229) ✔ 20 242 3 0.0 0.000 0.805 (1;000) ✗ 02/02/17
KF5 COD 4335158 I4_1/a (88) ✔ 12 88 1 0.0 0.000 0.199 (1;111) ✗ 02/02/17
YNiP ICSD 646184 P6_3/mmc (194) ✔ 12 104 3 0.0 0.015 0.564 (1;000) ✗ 02/02/17
FeTeBr7 ICSD 39531 P1 (1) ✗ 18 126 2 0.0 0.004 0.497 ? ✗ 21/03/17
Ti3NiS6 ICSD 26313 P-31c (163) ✔ 20 164 3 0.0 0.020 0.362 (1;000) ✗ 02/02/17
MnGa6 ICSD 634620 Cmcm (63) ✔ 14 186 1 0.0 0.000 0.776 (0;110) ✗ 02/02/17
K2CuF4 ICSD 174116 Cmce (64) ✔ 14 114 2 0.0 0.000 0.932 (0;000) ✗ 02/02/17
Sr3Cr2O8 COD 2002131 R-3m (166) ✔ 13 106 1 0.0 0.000 0.246 (1;111) ✗ 22/03/17
Cu(RhSe2)2 ICSD 628777 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.452 (0;000) ✗ 02/02/17
Rb ICSD 109016 I4/mmm (139) ✔ 8 72 1 0.0 0.004 0.759 (0;111) ✗ 02/02/17
SrCuSn2 COD 7221228 Cmcm (63) ✔ 8 98 3 0.0 0.000 0.797 (1;110) ✗ 02/02/17
FeCuS2 COD 9015636 I-42d (122) ✗ 8 62 3 0.0 0.000 0.762 ? ✗ 15/02/17
Ti3Co5B2 COD 1510633 P4/mbm (127) ✔ 20 254 3 0.0 0.000 0.990 (1;111) ✗ 21/03/17
ScMnO3 ICSD 251022 P2_1/c (14) ✔ 20 176 3 0.0 0.006 0.283 (0;000) ✗ 02/02/17
H6CN4O3 COD 2009875 Pm (6) ✗ 14 48 1 0.0 0.001 0.173 (0;100) ✔ 22/03/17
Hf2InNi2 ICSD 407547 P4/mbm (127) ✔ 10 114 3 0.0 0.000 0.984 (0;000) ✗ 02/02/17
NaZn4As3 COD 4326072 R-3m (166) ✔ 8 72 2 0.0 0.004 0.004 (1;000) ✗ 21/03/17
RbP(HO2)2 ICSD 69318 Fdd2 (43) ✗ 16 80 1 0.0 0.027 0.134 (0;000) ✔ 29/03/17
Rb2O3 ICSD 647340 I-43d (220) ✗ 20 144 1 0.0 0.000 0.758 ? ✗ 29/03/17
Y5Ru2 ICSD 650770 C2/c (15) ✔ 14 174 3 0.0 0.000 0.372 (1;101) ✗ 02/02/17
Ag3F8 COD 4331408 P2_1/c (14) ✔ 22 178 3 0.0 0.001 0.742 (0;000) ✗ 04/08/17
Y5Si3H ICSD 638464 P6_3/mcm (193) ✔ 18 136 3 0.0 0.002 0.618 (0;000) ✗ 02/02/17
In2FeS4 COD 9012326 Fd-3m (227) ✔ 14 116 3 0.0 0.003 0.302 (0;000) ✗ 02/02/17
Na2NiH4(SeO5)2 ICSD 98684 P-1 (2) ✔ 19 104 2 0.0 0.009 0.013 (0;000) ✗ 02/02/17
Mn3TeO6 COD 2211528 R-3 (148) ✔ 20 174 3 0.0 0.001 0.493 (0;000) ✗ 02/02/17
Nb3InS4 ICSD 640055 P6_3/m (176) ✔ 16 152 3 0.0 0.000 0.937 (1;000) ✗ 02/02/17
RbFe2Se3 ICSD 81547 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.370 (0;000) ✗ 02/02/17
Ti6O COD 1529015 P-31c (163) ✔ 14 156 3 0.0 0.006 0.371 (1;000) ✗ 02/02/17
Ti2CuSb3 COD 1526687 P-4m2 (115) ✗ 6 50 3 0.0 0.001 0.797 ? ✗ 15/02/17
Sb2O3 ICSD 27595 Pccn (56) ✔ 20 112 2 0.0 0.129 1.000 (0;000) ✗ 02/02/17
CdCu2SnSe4 ICSD 619784 I-42m (121) ✗ 8 72 3 0.0 0.009 0.004 (1;000) ✔ 15/02/17
Mn2GaCo ICSD 160704 F-43m (216) ✗ 4 60 3 0.0 0.001 0.756 ? ✗ 15/02/17
RbPbIO6 ICSD 73615 P6_322 (182) ✗ 18 132 2 0.0 0.000 0.244 (1;000) ✔ 11/04/17
Nb3Si ICSD 645416 I-4 (82) ✗ 16 172 3 0.0 0.016 0.487 ? ✗ 29/03/17
CsFe2F6 COD 1529266 Fd-3m (227) ✔ 18 134 3 0.0 0.000 0.500 (0;000) ✗ 02/02/17
Rb3Mn2Cl7 COD 1531071 I4/mmm (139) ✔ 12 106 3 0.0 0.001 0.860 (0;000) ✗ 22/03/17
NbPt3 ICSD 54283 P2_1/m (11) ✔ 16 172 3 0.0 0.046 0.868 (0;010) ✗ 02/02/17
Nb2Se ICSD 26183 C2/m (12) ✔ 12 128 3 0.0 0.015 0.279 (0;111) ✗ 02/02/17
Na2NbF6 COD 1529840 P4_2/mnm (136) ✔ 18 146 1 0.0 0.000 0.502 (0;000) ✗ 02/02/17
CsICl2 COD 1010073 R-3m (166) ✔ 4 30 1 0.0 0.000 0.740 (1;111) ✗ 22/03/17
ZnCu2SnTe4 ICSD 656156 I-42m (121) ✗ 8 72 3 0.0 0.006 0.078 (1;000) ✔ 22/03/17
Y2InCu2 ICSD 628177 P4/mbm (127) ✔ 10 114 3 0.0 0.000 0.989 (1;111) ✗ 02/02/17
SrMnBi2 COD 7221198 I4/mmm (139) ✔ 8 110 1 0.0 0.000 0.858 (1;000) ✗ 21/03/17
Si2Cu4NiS7 ICSD 100778 C2 (5) ✗ 14 104 3 0.0 0.026 0.409 ? ✗ 22/03/17
K3(CuO2)2 ICSD 380487 Cmcm (63) ✔ 18 146 3 0.0 0.000 0.638 (0;000) ✗ 02/02/17
HfAsRu ICSD 610655 Ima2 (46) ✗ 18 198 3 0.0 0.003 0.659 ? ✗ 21/03/17
Zr5PPb3 ICSD 604196 P6_3/mcm (193) ✔ 18 134 3 0.0 0.000 0.729 (0;000) ✗ 02/02/17
Sr(CuSb)2 ICSD 41923 P4/nmm (129) ✔ 10 84 3 0.0 0.004 0.483 (0;001) ✗ 02/02/17
Rb2Hg7 ICSD 107483 P-3m1 (164) ✔ 9 102 3 0.0 0.003 0.699 (0;000) ✗ 02/02/17
Li2GaRh COD 1527266 F-43m (216) ✗ 4 36 3 0.0 0.035 0.703 ? ✗ 15/02/17
Hg(Mo3S4)2 ICSD 639106 R-3 (148) ✔ 15 144 3 0.0 0.003 0.741 (1;000) ✗ 02/02/17
SrInPd ICSD 640249 Pnma (62) ✔ 12 164 3 0.0 0.000 0.885 (0;011) ✗ 02/02/17
Sn(SbTe2)2 ICSD 30392 R-3m (166) ✔ 7 48 3 0.0 0.071 0.128 (1;111) ✗ 02/02/17
Zr5GeSb3 ICSD 637826 P6_3/mcm (193) ✔ 18 78 3 0.0 0.000 0.910 (0;000) ✗ 02/02/17
NaHg COD 2310235 Cmcm (63) ✔ 8 84 3 0.0 0.014 0.562 (0;000) ✗ 02/02/17
Li7Ge2 ICSD 42063 Cmmm (65) ✔ 18 58 1 0.0 0.014 0.639 (0;000) ✗ 02/02/17
SnO COD 1101035 Cmc2_1 (36) ✗ 8 80 2 0.0 0.009 0.349 (1;011) ✔ 15/02/17
MgSn4Ru ICSD 412492 I4/mcm (140) ✔ 12 164 3 0.0 0.011 0.263 (0;000) ✗ 02/02/17
LiFe(GeO3)2 ICSD 169479 C2/c (15) ✔ 20 110 3 0.0 0.000 0.374 (0;011) ✗ 02/02/17
Hf3Si3Ni2 COD 1531009 Cmcm (63) ✔ 16 136 3 0.0 0.010 0.770 (0;000) ✗ 02/02/17
Hf2CuGe4 ICSD 30733 Cmcm (63) ✔ 14 102 3 0.0 0.000 0.826 (0;000) ✗ 02/02/17
Sr5Pb3F ICSD 165195 I4/mcm (140) ✔ 18 198 1 0.0 0.001 0.574 (0;000) ✗ 02/02/17
K2Si2Pb2O ICSD 77382 P6/mmm (191) ✔ 7 60 2 0.0 0.006 0.472 (0;000) ✗ 02/02/17
Ni2SnP ICSD 61097 Pnma (62) ✔ 16 156 3 0.0 0.000 0.901 (1;011) ✗ 02/02/17
Pt5Se4 COD 9012387 P2_1/c (14) ✔ 18 148 3 0.0 0.012 0.257 (0;101) ✗ 02/02/17
ScRe2 COD 1522214 P6_3/mmc (194) ✔ 12 164 3 0.0 0.006 0.770 (0;000) ✗ 02/02/17
MnGaPt ICSD 108482 F-43m (216) ✗ 3 38 3 0.0 0.000 0.968 ? ✗ 15/02/17
Y2MgGe2 ICSD 423457 P4/mbm (127) ✔ 10 80 3 0.0 0.000 0.359 (1;000) ✗ 02/02/17
Nb3FeS6 COD 9011969 P6_322 (182) ✗ 20 166 3 0.0 0.000 0.772 ? ✗ 22/03/17
Re5Si3 ICSD 650114 I4/mcm (140) ✔ 16 174 3 0.0 0.000 0.864 (1;111) ✗ 02/02/17
ZrCoSb ICSD 108317 F-43m (216) ✗ 3 26 3 0.0 0.276 0.162 (0;000) ✔ 15/02/17
ZrNiSn ICSD 646828 F-43m (216) ✗ 3 28 3 0.0 0.040 0.309 (1;000) ✔ 15/02/17
TiFeSn COD 1527700 F-43m (216) ✗ 3 34 3 0.0 0.000 0.622 ? ✗ 15/02/17
Nb5Ga4 COD 1523473 P6_3/mcm (193) ✔ 18 234 3 0.0 0.000 0.478 (0;000) ✗ 02/02/17
Bi2O3 COD 9012328 P-4b2 (117) ✗ 20 192 3 0.0 0.000 0.728 ? ✗ 21/03/17
MgCuBi ICSD 58774 F-43m (216) ✗ 3 36 3 0.0 0.000 0.315 (0;000) ✔ 15/03/17
PbS COD 9014778 Pnma (62) ✔ 8 80 1 0.0 0.333 0.027 (0;000) ✗ 02/02/17
Rb3NiO2 ICSD 424579 P4_2/mnm (136) ✔ 12 98 2 0.0 0.000 0.589 (0;000) ✗ 02/02/17
Hf3Fe2Si3 ICSD 632268 Cmcm (63) ✔ 16 128 3 0.0 0.006 0.706 (1;110) ✗ 02/02/17
Fe(Mo3S4)2 ICSD 632656 R-3 (148) ✔ 15 140 3 0.0 0.043 0.405 (1;111) ✗ 02/02/17
K(OsO3)2 ICSD 419880 P-1 (2) ✔ 18 154 3 0.0 0.089 0.241 (1;110) ✗ 02/02/17
Ag9Ge2IO8 ICSD 380303 C2/m (12) ✔ 20 162 3 0.0 0.035 0.118 (0;000) ✗ 16/03/17
Zr5TePb3 ICSD 604081 P6_3/mcm (193) ✔ 18 136 3 0.0 0.005 0.260 (1;000) ✗ 02/02/17
BaBiO3 COD 2101573 Pba2 (32) ✗ 20 172 3 0.0 0.079 0.415 ? ✗ 21/03/17
BaBi4(IO2)2 ICSD 63367 I4/mmm (139) ✔ 11 108 1 0.0 0.015 0.963 (0;000) ✗ 21/03/17
Sr5Pb3 ICSD 648568 I4/mcm (140) ✔ 16 184 1 0.0 0.029 0.622 (0;000) ✗ 02/02/17
KO3 COD 1518207 I4/mcm (140) ✔ 16 108 1 0.0 0.000 0.588 (0;000) ✗ 02/02/17
Hf2CuSb3 COD 1526691 P-4m2 (115) ✗ 6 50 3 0.0 0.003 0.820 ? ✗ 15/02/17
ZrGePt COD 8103046 Pnma (62) ✔ 12 72 3 0.0 0.038 0.071 (1;000) ✗ 02/02/17
KSn2 ICSD 190812 P6_3/mmc (194) ✔ 12 148 3 0.0 0.001 0.735 (0;000) ✗ 02/02/17
NaCuF3 ICSD 69655 P-1 (2) ✔ 20 164 3 0.0 0.014 0.583 (1;101) ✗ 02/02/17
PdSe ICSD 77895 P4_2/m (84) ✔ 16 192 3 0.0 0.017 0.120 (0;000) ✗ 02/02/17
Te2Pd3Pb2 COD 9013781 Pmmn (59) ✔ 14 188 3 0.0 0.011 0.314 (0;000) ✗ 02/02/17
K3(FeO2)2 COD 1531776 Fddd (70) ✔ 18 134 3 0.0 0.000 0.470 (1;111) ✗ 02/02/17
CoPW ICSD 624662 Pnma (62) ✔ 12 200 3 0.0 0.026 0.137 (0;000) ✗ 11/04/17
Y3Os ICSD 647869 Pnma (62) ✔ 16 196 3 0.0 0.000 0.327 (0;110) ✗ 02/02/17
KMnF3 ICSD 4054 P4/mbm (127) ✔ 10 90 3 0.0 0.000 0.805 (0;000) ✗ 02/02/17
VP2O7 COD 1526398 P2_1 (4) ✗ 20 130 3 0.0 0.001 0.537 ? ✗ 29/03/17
In2Te3 ICSD 44364 I4mm (107) ✗ 15 132 3 0.0 0.000 0.429 ? ✗ 29/03/17
MgAgAs COD 1509198 F-43m (216) ✗ 3 26 3 0.0 0.000 0.199 (1;000) ✔ 16/03/17
CsNiPdF5 ICSD 74288 Imma (74) ✔ 16 144 3 0.0 0.002 0.251 (0;111) ✗ 02/02/17
Zr3Al3C5 ICSD 159412 P6_3/mmc (194) ✔ 22 82 3 0.0 0.000 0.988 (1;000) ✗ 04/08/17
NaTiF4 ICSD 389 Pbcn (60) ✔ 24 196 2 0.0 0.000 0.734 (0;000) ✗ 04/08/17
In3Ru ICSD 640343 P4_2/mnm (136) ✔ 16 220 3 0.0 0.579 0.048 (0;000) ✗ 02/02/17
ZrSnPd COD 1523924 F-43m (216) ✗ 3 36 3 0.0 0.649 0.084 (0;000) ✔ 15/02/17
NaMnF3 COD 1527946 Pnma (62) ✔ 20 180 3 0.0 0.001 0.366 (0;110) ✗ 02/02/17
TaNiTe2 ICSD 71063 Pmna (53) ✔ 16 140 2 0.0 0.033 0.232 (1;010) ✗ 02/02/17
Mg5Tl2 ICSD 150631 Ibam (72) ✔ 14 152 3 0.0 0.031 0.508 (0;111) ✗ 02/02/17
Li2AlRh COD 1523430 F-43m (216) ✗ 4 26 3 0.0 0.073 0.688 ? ✗ 15/02/17
Mn2Bi3O7 ICSD 184382 Cmc2_1 (36) ✗ 24 234 3 0.0 0.000 0.742 ? ✗ 04/08/17
CrB ICSD 613476 I4_1/amd (141) ✔ 8 68 3 0.0 0.005 0.669 (1;111) ✗ 21/03/17
Li2ZnGe ICSD 53678 P-3m1 (164) ✔ 16 88 1 0.0 0.251 0.384 (0;000) ✗ 02/02/17
K3TlAu5 COD 4302644 Imma (74) ✔ 18 190 3 0.0 0.000 0.760 (1;011) ✗ 21/03/17
CaTi2O4 COD 1008077 Cmcm (63) ✔ 14 116 3 0.0 0.009 0.095 (0;000) ✗ 22/03/17
Al8C3N4 ICSD 41261 R-3m (166) ✔ 15 56 3 0.0 0.002 0.607 (0;111) ✗ 21/03/17
In3Pd5 ICSD 59480 Pbam (55) ✔ 16 258 3 0.0 0.000 0.829 (0;011) ✗ 02/02/17
MnGe ICSD 187195 P2_13 (198) ✗ 8 76 3 0.0 0.000 0.637 ? ✗ 15/02/17
Rb(MoS)3 ICSD 644175 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.286 (0;000) ✗ 02/02/17
SrNi3Ge2 ICSD 419660 P6_3/mmc (194) ✔ 12 96 2 0.0 0.003 0.907 (1;000) ✗ 02/02/17
Sr2CaCu2(BiO4)2 ICSD 68188 I4/mmm (139) ✔ 15 130 2 0.0 0.000 0.994 (1;000) ✗ 21/03/17
Cs(WO3)2 ICSD 72634 Fd-3m (227) ✔ 18 146 3 0.0 0.000 0.581 (0;000) ✗ 02/02/17
CoSi COD 1010036 P2_13 (198) ✗ 8 84 3 0.0 0.000 0.126 (1;000) ✔ 22/03/17
SrNiGe COD 4335169 Pnma (62) ✔ 12 96 2 0.0 0.144 0.250 (0;000) ✗ 02/02/17
ScCrO3 ICSD 85141 Pnma (62) ✔ 20 172 3 0.0 0.000 0.480 (0;110) ✗ 22/03/17
NaNiAsO4 ICSD 63353 R-3 (148) ✔ 14 96 3 0.0 0.010 0.068 (0;000) ✗ 21/03/17
Ca2MnAlO5 ICSD 95986 Ima2 (46) ✗ 18 136 3 0.0 0.015 0.765 ? ✗ 16/03/17
Li2ZnSi COD 1528031 P-3m1 (164) ✔ 16 88 1 0.0 0.245 0.364 (0;000) ✗ 02/02/17
HfI3 ICSD 23947 P6_3/mcm (193) ✔ 8 66 1 0.0 0.000 0.633 (0;000) ✗ 02/02/17
LiAlGe COD 2014790 F-43m (216) ✗ 3 10 3 0.0 1.319 0.042 (0;000) ✔ 15/02/17
Ca3Cu2(BrO2)2 ICSD 69182 I4/mmm (139) ✔ 11 90 2 0.0 0.002 0.972 (1;111) ✗ 21/03/17
Y2Ge5Ir3 ICSD 86503 Ibam (72) ✔ 20 186 3 0.0 0.001 0.569 (1;010) ✗ 02/02/17
GaTe ICSD 43328 P6_3/mmc (194) ✔ 8 76 2 0.0 0.057 0.140 (0;000) ✗ 02/02/17
Sr3Mn2O7 ICSD 51217 I4/mmm (139) ✔ 12 102 2 0.0 0.010 0.985 (0;111) ✗ 29/03/17
Y5Sn3 COD 1527516 P6_3/mcm (193) ✔ 16 194 3 0.0 0.000 0.727 (1;000) ✗ 02/02/17
AgI COD 9011694 P6mm (183) ✗ 2 18 1 0.0 0.240 0.249 (0;000) ✔ 15/02/17
K2ReI6 COD 4313464 Pc (7) ✗ 18 150 1 0.0 0.000 0.860 ? ✗ 29/03/17
ZnCu2GeSe4 ICSD 627827 I-42m (121) ✗ 8 62 3 0.0 0.023 0.007 (1;000) ✔ 15/02/17
P2Pd15 COD 1527081 R-3 (148) ✔ 17 280 3 0.0 0.001 0.539 (0;000) ✗ 02/02/17
K4W2Cl10O ICSD 1923 I4/mmm (139) ✔ 17 168 1 0.0 0.001 0.498 (1;111) ✗ 11/04/17
KVP2S7 ICSD 91756 C2 (5) ✗ 11 74 2 0.0 0.009 0.724 ? ✗ 29/03/17
TlInSe2 ICSD 640528 I4/mcm (140) ✔ 8 76 1 0.0 0.013 0.035 (0;000) ✗ 02/02/17
Rb3CoO2 COD 1532295 Pnma (62) ✔ 24 224 1 0.0 0.003 0.119 (1;000) ✗ 04/08/17
InCuTe2 ICSD 73352 I-42d (122) ✗ 8 72 3 0.0 0.010 0.012 (0;000) ✔ 22/03/17
NaTi(SiO3)2 COD 2104036 C2/c (15) ✔ 20 130 3 0.0 0.000 0.941 (0;101) ✗ 02/02/17
AlPS4 ICSD 56821 P4_2mc (105) ✗ 12 64 2 0.0 0.003 0.875 ? ✗ 16/03/17
Sc2FeB2Rh5 ICSD 51437 P4/mbm (127) ✔ 20 242 3 0.0 0.000 0.804 (0;110) ✗ 21/03/17
ZrPd3 COD 1523504 P6_3/mmc (194) ✔ 16 232 3 0.0 0.002 0.523 (0;000) ✗ 02/02/17
Y2C3 ICSD 77572 I-43d (220) ✗ 20 136 3 0.0 0.009 0.422 ? ✗ 21/03/17
LiTi(SiO3)2 ICSD 96292 C2/c (15) ✔ 20 118 3 0.0 0.000 0.950 (0;011) ✗ 02/02/17
Cr2B2Ir ICSD 601518 Pnnm (58) ✔ 20 204 3 0.0 0.000 0.894 (0;101) ✗ 21/03/17
Y5(FeTe)2 COD 4344158 Cmcm (63) ✔ 18 166 3 0.0 0.000 0.721 (0;000) ✗ 02/02/17
CsPd2F5 COD 1000425 Imma (74) ✔ 16 160 3 0.0 0.002 0.382 (0;000) ✗ 02/02/17
Be COD 9013111 P2_12_12 (18) ✗ 4 16 1 0.0 0.006 0.146 (0;000) ✔ 15/03/17
Li2SbAu COD 1510216 F-43m (216) ✗ 4 22 3 0.0 0.000 0.186 (0;000) ✔ 15/02/17
Cr(HO)2 COD 9015967 Pnnm (58) ✔ 10 56 3 0.0 0.001 0.376 (0;000) ✗ 04/08/17
SrGaGe ICSD 634281 P6_3/mmc (194) ✔ 12 108 1 0.0 0.026 0.816 (0;000) ✗ 02/02/17
Bi2TeI ICSD 153858 R-3m (166) ✔ 8 86 1 0.0 0.126 0.008 (0;111) ✗ 21/03/17
Sc2InCu2 ICSD 130033 P4/mbm (127) ✔ 10 114 3 0.0 0.000 0.993 (1;001) ✗ 02/02/17
Y4Ga12Fe COD 4318856 Im-3m (229) ✔ 17 208 3 0.0 0.000 0.669 (0;000) ✗ 02/02/17
RbGa2Au3 COD 4329713 Pnma (62) ✔ 24 272 3 0.0 0.019 0.321 (1;000) ✗ 04/08/17
RbSbSe2 ICSD 602244 P1 (1) ✗ 16 104 3 0.0 0.017 0.026 (0;101) ✔ 11/04/17
Al2Mo3C ICSD 42917 P4_132 (213) ✗ 24 208 3 0.0 0.004 0.309 ? ✗ 04/08/17
SbTe ICSD 20459 P-3m1 (164) ✔ 12 66 2 0.0 0.110 0.056 (1;001) ✗ 02/02/17
K3Ni2F7 ICSD 33523 I4/mmm (139) ✔ 12 96 2 0.0 0.005 0.763 (0;000) ✗ 22/03/17
SiTc ICSD 652380 P2_13 (198) ✗ 8 76 3 0.0 0.000 1.000 ? ✗ 15/02/17
TlPt2Se3 ICSD 78785 P-3m1 (164) ✔ 12 102 3 0.0 0.447 0.035 (0;000) ✗ 02/02/17
YGaNi ICSD 634986 Pnma (62) ✔ 12 136 3 0.0 0.012 0.418 (1;000) ✗ 02/02/17
Nb5Si3 ICSD 645411 I4/mcm (140) ✔ 16 154 3 0.0 0.002 0.360 (0;000) ✗ 02/02/17
Mn2SiRu ICSD 182830 F-43m (216) ✗ 4 50 3 0.0 0.000 0.848 ? ✗ 15/02/17
Ga3Pd5 COD 1522866 Pbam (55) ✔ 16 258 3 0.0 0.000 0.869 (0;011) ✗ 02/02/17
TePb ICSD 648609 Pnma (62) ✔ 8 80 2 0.0 0.146 0.014 (0;000) ✗ 02/02/17
Ni3N ICSD 152813 P6_322 (182) ✗ 8 70 3 0.0 0.001 0.781 ? ✗ 15/02/17
Sr7Ag3 ICSD 605879 P6_3mc (186) ✗ 20 206 1 0.0 0.000 0.879 ? ✗ 16/03/17
Na2MgPb COD 4338303 P6_3/mmc (194) ✔ 8 84 1 0.0 0.002 0.253 (1;000) ✗ 02/02/17
RbZrMnF7 ICSD 78042 P2_1/m (11) ✔ 20 154 3 0.0 0.000 0.863 (1;000) ✗ 02/02/17
Sc4Ge6Os7 ICSD 637471 Im-3m (229) ✔ 17 180 3 0.0 0.003 0.503 (1;000) ✗ 02/02/17
Cu4Pd COD 1524399 P4_2/m (84) ✔ 20 248 3 0.0 0.013 0.640 (0;000) ✗ 02/02/17
In7Pt3 COD 8100596 Im-3m (229) ✔ 20 242 3 0.0 0.000 0.798 (1;000) ✗ 02/02/17
RbNi2F6 ICSD 31781 Imma (74) ✔ 18 142 3 0.0 0.001 0.462 (0;101) ✗ 02/02/17
Sn7Ru3 COD 2200583 Im-3m (229) ✔ 20 292 3 0.0 0.000 0.394 (1;111) ✗ 02/02/17
Ca2RuO4 ICSD 153804 Cmce (64) ✔ 14 120 3 0.0 0.016 0.426 (0;000) ✗ 21/03/17
Nb5Si3 ICSD 645424 P6_3/mcm (193) ✔ 16 154 3 0.0 0.000 0.717 (0;000) ✗ 02/02/17
Sr2ScIrO6 ICSD 88152 P2_1/c (14) ✔ 20 168 3 0.0 0.241 0.069 (0;000) ✗ 02/02/17
ScPPt ICSD 417911 Pnma (62) ✔ 12 104 3 0.0 0.023 0.108 (1;000) ✗ 02/02/17
Ni3Se2 COD 9009243 R32 (155) ✗ 5 42 3 0.0 0.002 0.603 ? ✗ 15/02/17
Zr5Sb3C ICSD 618767 P6_3/mcm (193) ✔ 18 78 3 0.0 0.000 0.884 (1;000) ✗ 02/02/17
CsFe2Se3 ICSD 187535 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.229 (0;000) ✗ 02/02/17
SnPbO3 COD 9014470 Fd-3m (227) ✔ 20 184 3 0.0 0.014 0.202 (0;000) ✗ 02/02/17
Cu(IO3)2 ICSD 2232 P2_1/m (11) ✔ 18 122 2 0.0 0.000 0.426 (0;011) ✗ 02/02/17
Hf5CuSb3 ICSD 627908 P6_3/mcm (193) ✔ 18 172 3 0.0 0.002 0.502 (0;000) ✗ 02/02/17
K2HgS4 ICSD 20757 C2/c (15) ✔ 14 108 1 0.0 0.000 0.573 (0;000) ✗ 02/02/17
Zr5Sb3Ru ICSD 650598 P6_3/mcm (193) ✔ 18 102 3 0.0 0.000 0.652 (0;000) ✗ 02/02/17
Sr3Fe2(OF)4 ICSD 262347 F222 (22) ✗ 13 98 2 0.0 0.003 0.970 ? ✗ 15/02/17
In2Pt3 ICSD 59498 P6_3/mmc (194) ✔ 20 224 3 0.0 0.015 0.324 (1;000) ✗ 02/02/17
MgCu4Sn COD 1525035 F-43m (216) ✗ 6 68 3 0.0 0.104 0.259 (0;000) ✔ 15/02/17
Li2InAu COD 1510190 F-43m (216) ✗ 4 30 3 0.0 0.000 0.860 ? ✗ 15/02/17
LiSn4Au3 COD 7209416 P6_3mc (186) ✗ 16 184 3 0.0 0.003 0.825 ? ✗ 21/03/17
CaAs ICSD 26263 P-62m (189) ✗ 12 90 1 0.0 0.834 0.359 (0;000) ✔ 21/03/17
Sr8Fe3N8 ICSD 409949 C2/m (12) ✔ 19 144 1 0.0 0.000 0.933 (0;111) ✗ 02/02/17
RbHg2 ICSD 408698 Imma (74) ✔ 6 66 3 0.0 0.000 0.587 (1;110) ✗ 02/02/17
YGeRh ICSD 637723 Pnma (62) ✔ 12 128 3 0.0 0.007 0.470 (1;000) ✗ 02/02/17
Nb5Ge3 ICSD 637206 I4/mcm (140) ✔ 16 154 3 0.0 0.000 0.434 (0;000) ✗ 02/02/17
TlFeO3 COD 1526633 Pnma (62) ✔ 20 156 3 0.0 0.001 0.687 (0;110) ✗ 02/02/17
Zr5Te4 COD 8101423 I4/m (87) ✔ 9 44 3 0.0 0.001 0.690 (1;111) ✗ 02/02/17
Nb5SiSn2 COD 1528586 I4/mcm (140) ✔ 16 194 3 0.0 0.000 0.532 (1;111) ✗ 02/02/17
ZrCu2Te3 ICSD 56463 C2/m (12) ✔ 12 88 3 0.0 0.026 0.134 (0;000) ✗ 02/02/17
ZrNiSb ICSD 408195 Pnma (62) ✔ 12 76 3 0.0 0.001 0.451 (0;011) ✗ 02/02/17
YNiSn COD 1523634 Pnma (62) ✔ 12 140 3 0.0 0.002 0.726 (0;011) ✗ 02/02/17
CuSe COD 9000063 P6_3/mmc (194) ✔ 12 102 3 0.0 0.000 0.949 (1;001) ✗ 02/02/17
Mn2Ga5 COD 4107348 P4/mbm (127) ✔ 14 190 3 0.0 0.000 0.831 (0;110) ✗ 02/02/17
Nb5GaSn2 COD 2020043 I4/mcm (140) ✔ 16 212 3 0.0 0.001 0.541 (1;000) ✗ 02/02/17
CuS COD 1010920 P6_3/mmc (194) ✔ 12 102 3 0.0 0.000 0.845 (0;000) ✗ 02/02/17
Mn3As2 ICSD 73251 Cmc2_1 (36) ✗ 20 220 3 0.0 0.000 0.809 ? ✗ 21/03/17
Y2Pd2Pb COD 1532869 P4/mbm (127) ✔ 10 144 3 0.0 0.006 0.632 (0;000) ✗ 02/02/17
Sr2TaFeO6 ICSD 172591 P2_1/c (14) ✔ 20 154 3 0.0 0.000 0.970 (0;010) ✗ 02/02/17
YVO3 COD 1531189 Pnma (62) ✔ 20 168 3 0.0 0.009 0.476 (0;000) ✗ 02/02/17
YGaPd ICSD 635097 Pnma (62) ✔ 12 168 3 0.0 0.008 0.413 (1;000) ✗ 02/02/17
ZrPt3 ICSD 649888 P6_3/mmc (194) ✔ 16 136 3 0.0 0.017 0.321 (0;000) ✗ 02/02/17
YGePt ICSD 637661 Pnma (62) ✔ 12 100 3 0.0 0.000 0.688 (0;011) ✗ 02/02/17
TlPd2Se3 ICSD 78786 P-3m1 (164) ✔ 12 134 3 0.0 0.223 0.134 (0;000) ✗ 02/02/17
Sr5Ge3 COD 8101451 I4/mcm (140) ✔ 16 124 1 0.0 0.002 0.636 (1;000) ✗ 02/02/17
LiGaPdF6 ICSD 78748 P-31c (163) ✔ 18 152 3 0.0 0.005 0.096 (0;000) ✗ 02/02/17
K2MnS2 ICSD 65453 Ibam (72) ✔ 10 90 1 0.0 0.000 0.363 (0;100) ✗ 02/02/17
ZrAu4 COD 1510543 Pnma (62) ✔ 20 192 3 0.0 0.015 0.229 (0;000) ✗ 21/03/17
Cu(IrS2)2 COD 9009941 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.749 (0;000) ✗ 02/02/17
Zr3Ga5 ICSD 635697 Cmcm (63) ✔ 16 154 3 0.0 0.000 0.688 (0;000) ✗ 02/02/17
Ca2AsI ICSD 166534 R-3m (166) ✔ 4 32 1 0.0 0.154 0.207 (0;000) ✗ 21/03/17
NaNbO2F ICSD 38636 Pnma (62) ✔ 20 164 3 0.0 0.000 0.741 (0;110) ✗ 02/02/17
Ti5CuSb2 ICSD 159248 I4/mcm (140) ✔ 16 162 3 0.0 0.001 0.677 (1;000) ✗ 02/02/17
YNiPb ICSD 427254 Pnma (62) ✔ 12 140 3 0.0 0.001 0.719 (0;011) ✗ 02/02/17
Sr3Hg2 ICSD 107371 P4/mbm (127) ✔ 10 108 1 0.0 0.024 0.727 (0;000) ✗ 02/02/17
Nb2Se3 ICSD 660018 P2_1/m (11) ✔ 10 88 3 0.0 0.016 0.190 (1;010) ✗ 02/02/17
MnSi(CuSe2)2 ICSD 628396 Pmn2_1 (31) ✗ 16 130 3 0.0 0.000 0.795 ? ✗ 22/03/17
V5Ga3 ICSD 635612 P6_3/mcm (193) ✔ 16 208 3 0.0 0.001 0.621 (0;000) ✗ 02/02/17
CsV(MoO4)2 ICSD 202907 P-3m1 (164) ✔ 12 98 2 0.0 0.034 0.482 (0;000) ✗ 02/02/17
Sb2S2O COD 9012422 P-1 (2) ✔ 20 112 2 0.0 1.072 1.000 (0;000) ✗ 02/02/17
Y3IrI3 ICSD 71524 P2_1/m (11) ✔ 14 142 3 0.0 0.000 0.410 (1;000) ✗ 02/02/17
Cu3Se2 COD 1528745 P-42_1m (113) ✗ 10 90 3 0.0 0.000 0.903 ? ✗ 15/02/17
Ta3PbS6 ICSD 74693 P6_3/mcm (193) ✔ 20 178 3 0.0 0.000 0.954 (0;000) ✗ 02/02/17
Zr(SiPd)3 COD 4001641 Cmcm (63) ✔ 14 140 3 0.0 0.010 0.671 (1;000) ✗ 02/02/17
Nb3Ge ICSD 637195 I4/mcm (140) ✔ 16 172 3 0.0 0.003 0.749 (0;000) ✗ 02/02/17
RbFeSe2 ICSD 633210 C2/c (15) ✔ 8 58 1 0.0 0.000 0.372 (1;011) ✗ 02/02/17
ZrAlPt ICSD 156266 P-62c (190) ✗ 18 102 3 0.0 0.000 0.608 ? ✗ 16/03/17
V5Ge3 ICSD 638092 I4/mcm (140) ✔ 16 154 3 0.0 0.000 0.280 (0;111) ✗ 02/02/17
K(OsO3)2 COD 1529026 Fd-3m (227) ✔ 18 154 3 0.0 0.000 0.427 (0;000) ✗ 02/02/17
Pt(S3N)2 COD 9015488 P-3m1 (164) ✔ 9 56 1 0.0 0.002 0.439 (0;000) ✗ 02/02/17
V3As2 COD 1529103 P4/m (83) ✔ 20 196 3 0.0 0.000 0.706 (1;110) ✗ 21/03/17
LiCdAs ICSD 609966 F-43m (216) ✗ 3 20 3 0.0 0.000 0.270 (1;011) ✔ 15/02/17
Mn2InCo ICSD 160705 F-43m (216) ✗ 4 60 3 0.0 0.010 0.731 ? ✗ 15/02/17
Zr5SnPb3 ICSD 604193 P6_3/mcm (193) ✔ 18 152 3 0.0 0.002 0.652 (0;000) ✗ 02/02/17
Y3Ga8Rh3 ICSD 635222 Immm (71) ✔ 14 188 3 0.0 0.010 0.710 (0;000) ✗ 02/02/17
Ti5FeSb2 COD 1531840 I4/mcm (140) ✔ 16 156 3 0.0 0.002 0.603 (1;000) ✗ 02/02/17
SiB2Mo5 COD 1510768 I4/mcm (140) ✔ 16 160 3 0.0 0.028 0.696 (1;000) ✗ 21/03/17
YSiPt ICSD 649647 Pnma (62) ✔ 12 100 3 0.0 0.003 0.806 (0;011) ✗ 02/02/17
SrIn4 ICSD 240135 C2/m (12) ✔ 10 124 3 0.0 0.045 0.587 (0;000) ✗ 02/02/17
Y3Ge3Ru2 ICSD 425769 Cmcm (63) ✔ 16 154 3 0.0 0.000 0.894 (1;110) ✗ 02/02/17
H2C4O5 COD 2102818 C2/c (15) ✔ 22 96 1 0.0 0.003 0.172 (0;000) ✗ 04/08/17
VNiSb ICSD 76702 F-43m (216) ✗ 3 28 3 0.0 0.000 0.628 ? ✗ 15/02/17
K2Cu2Te5 COD 4319350 Cmcm (63) ✔ 18 140 3 0.0 0.039 0.138 (0;000) ✗ 02/02/17
Sc2CrB2Rh5 ICSD 51435 P4/mbm (127) ✔ 20 254 3 0.0 0.000 0.968 (0;110) ✗ 21/03/17
Zr5Pt3 ICSD 649889 P6_3/mcm (193) ✔ 16 100 3 0.0 0.009 0.583 (1;000) ✗ 02/02/17
NaNiF3 COD 1521771 Pnma (62) ✔ 20 160 3 0.0 0.002 0.181 (0;000) ✗ 02/02/17
Si3Ru5 ICSD 650615 Pbam (55) ✔ 16 184 3 0.0 0.002 0.869 (0;100) ✗ 02/02/17
Sr(FeSb3)4 ICSD 658733 Im3 (204) ✔ 17 102 3 0.0 0.011 0.533 (0;000) ✗ 02/02/17
HfSn2 ICSD 638941 P6_222 (180) ✗ 9 120 3 0.0 0.009 0.787 ? ✗ 15/02/17
Ca2Ag7 ICSD 55510 Cmcm (63) ✔ 18 194 3 0.0 0.000 0.958 (1;110) ✗ 16/03/17
Mn5Ge3 ICSD 636986 P6_3/mcm (193) ✔ 16 174 3 0.0 0.000 0.951 (1;000) ✗ 02/02/17
YRe2 ICSD 150517 P6_3/mmc (194) ✔ 12 164 3 0.0 0.016 0.751 (0;000) ✗ 02/02/17
K3PbAu5 ICSD 107450 Imma (74) ✔ 18 192 3 0.0 0.021 0.308 (0;000) ✗ 21/03/17
V3GaAu ICSD 611902 P2_13 (198) ✗ 20 252 3 0.0 0.000 0.578 ? ✗ 21/03/17
SrSi ICSD 42140 Immm (71) ✔ 20 140 1 0.0 0.004 0.379 (0;000) ✗ 02/02/17
FeCu2(CN)6 COD 1010358 F-43m (216) ✗ 15 84 3 0.0 0.000 0.630 ? ✗ 21/03/17
Al4Mo ICSD 58000 Cm (8) ✗ 15 78 3 0.0 0.011 0.622 ? ✗ 16/03/17
SrTa2Bi2O9 ICSD 97041 I4/mmm (139) ✔ 14 120 2 0.0 0.197 0.209 (0;000) ✗ 21/03/17
Y5Pb3 ICSD 648656 P6_3/mcm (193) ✔ 16 194 3 0.0 0.000 0.821 (0;000) ✗ 02/02/17
Ta5Si3 ICSD 652304 I4/mcm (140) ✔ 16 154 3 0.0 0.000 0.365 (0;000) ✗ 02/02/17
LiFe(SiO3)2 COD 9008444 C2/c (15) ✔ 20 110 3 0.0 0.000 0.342 (0;101) ✗ 02/02/17
Zr5SbPb3 ICSD 604080 P6_3/mcm (193) ✔ 18 134 3 0.0 0.000 0.567 (0;000) ✗ 02/02/17
CaSi3Pt ICSD 181448 I4mm (107) ✗ 5 32 3 0.0 0.013 0.420 ? ✗ 15/02/17
ZnAu3 COD 1510522 Cmce (64) ✔ 16 180 3 0.0 0.003 0.457 (1;000) ✗ 21/03/17
SrInPt ICSD 410704 Pnma (62) ✔ 12 132 3 0.0 0.002 0.840 (0;011) ✗ 02/02/17
Ti3Se4 ICSD 79629 P6_3/m (176) ✔ 14 120 3 0.0 0.004 0.245 (0;000) ✗ 02/02/17
Hf5Ge3 ICSD 636541 P6_3/mcm (193) ✔ 16 144 3 0.0 0.000 0.656 (1;000) ✗ 02/02/17
Zn(InS2)2 ICSD 42668 P-3m1 (164) ✔ 14 124 1 0.0 0.010 0.178 (0;001) ✗ 02/02/17
SrTiS3 ICSD 651070 P6_3/mmc (194) ✔ 10 80 1 0.0 0.026 0.078 (0;000) ✗ 02/02/17
Ti5Sb2Rh COD 1531573 I4/mcm (140) ✔ 16 174 3 0.0 0.000 0.596 (1;111) ✗ 02/02/17
Sr5Sb3 ICSD 57517 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.508 (0;000) ✗ 02/02/17
Sb3Rh COD 9015265 Im3 (204) ✔ 16 128 3 0.0 0.000 0.030 (1;000) ✗ 02/02/17
Tl2SnTe5 ICSD 73666 I4/mcm (140) ✔ 16 140 3 0.0 0.012 0.128 (0;000) ✗ 02/02/17
Cu(HO)2 COD 9007849 Cmc2_1 (36) ✗ 10 50 2 0.0 0.000 0.982 ? ✗ 15/02/17
LiSn4Rh ICSD 412251 I4/mcm (140) ✔ 12 152 3 0.0 0.006 0.402 (0;000) ✗ 02/02/17
Ti2CuS4 COD 4311684 Fd-3m (227) ✔ 14 118 3 0.0 0.000 0.936 (0;000) ✗ 02/02/17
FeCu2SnSe4 ICSD 169839 I-42m (121) ✗ 8 68 3 0.0 0.004 0.448 ? ✗ 15/02/17
MnSi COD 9013972 P2_13 (198) ✗ 8 76 3 0.0 0.000 0.662 ? ✗ 15/02/17
Zr5Ir3 ICSD 641203 P6_3/mcm (193) ✔ 16 142 3 0.0 0.000 0.960 (1;000) ✗ 02/02/17
K3NiO2 ICSD 262579 P4_2/mnm (136) ✔ 12 98 2 0.0 0.000 0.603 (0;000) ✗ 02/02/17
ScSi2Rh COD 2106278 Pnma (62) ✔ 16 144 3 0.0 0.027 0.241 (1;000) ✗ 02/02/17
Mg2Cu COD 1525235 Fddd (70) ✔ 12 124 3 0.0 0.004 0.623 (1;111) ✗ 02/02/17
Li7Sn2 COD 7221115 Cmmm (65) ✔ 18 98 1 0.0 0.023 0.601 (1;110) ✗ 02/02/17
Sc4Ge6Ru7 ICSD 637747 Im-3m (229) ✔ 17 180 3 0.0 0.000 0.556 (1;000) ✗ 02/02/17
Y3Pt ICSD 8016 Pnma (62) ✔ 16 172 3 0.0 0.000 0.309 (0;110) ✗ 02/02/17
Zr2CuS4 ICSD 27027 Fd-3m (227) ✔ 14 86 3 0.0 0.000 0.924 (0;000) ✗ 02/02/17
Sr2Pb3 COD 1518043 P4/mbm (127) ✔ 10 124 2 0.0 0.043 0.538 (0;000) ✗ 02/02/17
Sb2Rh ICSD 43501 P2_1/c (14) ✔ 12 108 3 0.0 0.150 0.034 (0;000) ✗ 02/02/17
Y5Ge3 ICSD 57122 P6_3/mcm (193) ✔ 16 134 3 0.0 0.000 0.794 (1;000) ✗ 02/02/17
Cs(MoSe)3 ICSD 603826 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.417 (0;000) ✗ 02/02/17
FeF3 COD 1000228 Fd-3m (227) ✔ 16 116 3 0.0 0.000 0.705 (0;000) ✗ 02/02/17
Fe3S2O15 COD 9007285 R-3m (166) ✔ 20 126 3 0.0 0.007 0.604 (1;111) ✗ 02/02/17
SrPbF6 ICSD 25629 P4_2/mmc (131) ✔ 16 132 1 0.0 0.000 0.238 (1;000) ✗ 02/02/17
Te2Ir COD 1526496 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.686 (1;111) ✗ 02/02/17
RbFeS2 COD 1008342 C2/c (15) ✔ 8 58 1 0.0 0.000 0.270 (1;101) ✗ 02/02/17
CsGa7 COD 1525536 R-3m (166) ✔ 16 200 3 0.0 0.038 0.400 (1;111) ✗ 02/02/17
SrIn4Ir ICSD 417836 Pmma (51) ✔ 12 158 3 0.0 0.000 0.869 (1;100) ✗ 02/02/17
Sr2Cu2O5 ICSD 82019 Pbam (55) ✔ 18 144 3 0.0 0.007 0.556 (1;000) ✗ 02/02/17
CoCuP2O7 ICSD 75379 P1 (1) ✗ 11 80 3 0.0 0.032 0.545 ? ✗ 15/02/17
SrMg2 COD 4311325 P6_3/mmc (194) ✔ 12 120 1 0.0 0.003 0.568 (1;000) ✗ 02/02/17
Si5Rh4 ICSD 52066 P2_1/m (11) ✔ 18 176 3 0.0 0.009 0.857 (1;011) ✗ 02/02/17
Zr5InPb3 ICSD 604229 P6_3/mcm (193) ✔ 18 150 3 0.0 0.000 0.760 (1;000) ✗ 02/02/17
Y4Ga12Pd ICSD 635099 Im-3m (229) ✔ 17 218 3 0.0 0.000 0.421 (0;000) ✗ 02/02/17
RbFe2S3 COD 9013452 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.284 (0;000) ✗ 02/02/17
SrMgPt ICSD 426614 Pnma (62) ✔ 12 120 3 0.0 0.031 0.481 (1;000) ✗ 02/02/17
Mo3S4 ICSD 644244 R-3 (148) ✔ 14 132 3 0.0 0.059 0.528 (0;111) ✗ 02/02/17
KTl ICSD 262071 P6_3/mmc (194) ✔ 8 88 1 0.0 0.030 0.064 (0;000) ✗ 02/02/17
LiSi COD 4030885 I4_1/a (88) ✔ 16 56 3 0.0 0.662 0.046 (1;111) ✗ 02/02/17
KRuO4 COD 1008130 I4_1/a (88) ✔ 12 98 1 0.0 0.000 0.694 (1;111) ✗ 02/02/17
SrRuO3 ICSD 97368 Pnma (62) ✔ 20 176 3 0.0 0.021 0.723 (0;000) ✗ 02/02/17
Nb4O5 ICSD 39595 P4_2/nmc (137) ✔ 18 164 3 0.0 0.004 0.327 (0;000) ✗ 02/02/17
MgNi2P ICSD 74784 Pnma (62) ✔ 16 140 3 0.0 0.001 0.347 (0;101) ✗ 02/02/17
KFe2S3 ICSD 632396 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.667 (0;000) ✗ 02/02/17
Hf2InPd2 ICSD 130035 P4/mbm (127) ✔ 10 146 3 0.0 0.000 0.983 (0;000) ✗ 02/02/17
Ge2Sb2Te5 ICSD 637823 P-3m1 (164) ✔ 9 48 2 0.0 0.040 0.126 (1;000) ✗ 02/02/17
KNaMnO2 ICSD 61403 Cccm (66) ✔ 20 180 3 0.0 0.011 0.210 (0;000) ✗ 02/02/17
Na3Hg2 COD 2209338 P4_2/mnm (136) ✔ 20 204 3 0.0 0.002 0.510 (0;000) ✗ 02/02/17
Mn(SeO3)2 ICSD 69801 P2_1/c (14) ✔ 18 126 3 0.0 0.001 0.915 (0;000) ✗ 02/02/17
NbSe2 ICSD 645377 P-6m2 (187) ✗ 12 100 1 0.0 0.001 0.784 ? ✗ 29/03/17
Sn(Mo3S4)2 COD 1529546 R-3 (148) ✔ 15 146 3 0.0 0.001 0.683 (1;000) ✗ 02/02/17
Hg5Pd2 COD 1523591 P4/mbm (127) ✔ 14 192 3 0.0 0.029 0.783 (0;001) ✗ 02/02/17
Sr3(LiSb)4 ICSD 25307 Immm (71) ✔ 11 62 1 0.0 0.030 0.181 (0;111) ✗ 02/02/17
SrNiSn3 COD 1523462 I4mm (107) ✗ 5 62 3 0.0 0.020 0.358 (1;000) ✔ 29/03/17
TiBe3 ICSD 616451 R-3m (166) ✔ 12 72 3 0.0 0.003 0.794 (1;000) ✗ 21/03/17
InSb ICSD 156996 Cmcm (63) ✔ 12 108 3 0.0 0.031 0.869 (1;000) ✗ 02/02/17
SiO2 COD 4124083 P-31m (162) ✔ 18 96 3 0.0 0.038 0.417 (0;000) ✗ 02/02/17
MnS2 COD 9008044 Pa3 (205) ✔ 12 108 3 0.0 0.000 0.709 (0;111) ✗ 02/02/17
Zr2V3Ru ICSD 650765 P6_3/mmc (194) ✔ 12 126 3 0.0 0.000 0.910 (0;000) ✗ 02/02/17
CsV5S8 ICSD 602330 C2/m (12) ✔ 14 122 3 0.0 0.006 0.602 (0;001) ✗ 02/02/17
SrLiNiF6 ICSD 32733 P-31c (163) ✔ 18 130 1 0.0 0.000 0.660 (0;000) ✗ 02/02/17
Na(CuO)2 COD 2002542 Pnma (62) ✔ 20 172 3 0.0 0.000 0.797 (1;011) ✗ 02/02/17
Y5Ir2 ICSD 641177 C2/c (15) ✔ 14 178 3 0.0 0.000 0.474 (0;011) ✗ 02/02/17
FeSiO3 COD 9000917 C2/c (15) ✔ 20 120 3 0.0 0.038 0.102 (0;000) ✗ 02/02/17
AsS COD 4343657 Cmc2_1 (36) ✗ 12 66 1 0.0 0.000 0.732 ? ✗ 21/03/17
Nb5Pt3O ICSD 36277 P6_3/mcm (193) ✔ 18 202 3 0.0 0.000 0.966 (0;000) ✗ 02/02/17
K3(NiO2)2 COD 1528246 Cmcm (63) ✔ 18 142 3 0.0 0.000 0.748 (0;000) ✗ 02/02/17
SrGe3 COD 4343959 I4/mmm (139) ✔ 16 88 1 0.0 0.005 0.619 (0;000) ✗ 02/02/17
Ta3FeS6 ICSD 633323 P6_322 (182) ✗ 20 166 3 0.0 0.000 0.750 ? ✗ 22/03/17
Zr5Ga4 ICSD 635688 P6_3/mcm (193) ✔ 18 144 3 0.0 0.002 0.698 (1;000) ✗ 02/02/17
Y3Ni ICSD 658309 Pnma (62) ✔ 16 172 3 0.0 0.000 0.246 (0;110) ✗ 02/02/17
Nb3B3C ICSD 411622 Cmcm (63) ✔ 14 104 3 0.0 0.012 0.523 (1;110) ✗ 22/03/17
NbFeB COD 1511130 P-62m (189) ✗ 9 72 3 0.0 0.000 0.809 ? ✗ 15/02/17
Ni3S4 COD 9009863 Fd-3m (227) ✔ 14 108 3 0.0 0.198 0.596 (0;000) ✗ 02/02/17
FeHO2 ICSD 420002 Pmn2_1 (31) ✗ 8 42 3 0.0 0.000 0.486 ? ✗ 15/02/17
ScGaPt ICSD 635150 Pnma (62) ✔ 12 136 3 0.0 0.015 0.500 (1;000) ✗ 02/02/17
Ge3Pt2 ICSD 637639 Pnma (62) ✔ 20 128 3 0.0 0.017 0.770 (1;000) ✗ 02/02/17
KSb4F13 COD 5910285 I4/m (87) ✔ 18 120 1 0.0 2.514 1.000 (0;000) ✗ 22/03/17
Ni(RhS2)2 ICSD 646317 Fd-3m (227) ✔ 14 136 3 0.0 0.003 0.498 (0;000) ✗ 02/02/17
Al5Mo COD 1522874 P6_322 (182) ✗ 12 58 3 0.0 0.001 0.816 ? ✗ 15/02/17
Sr(Sb3Os)4 ICSD 658734 Im3 (204) ✔ 17 134 3 0.0 0.014 0.624 (0;000) ✗ 02/02/17
Se ICSD 659254 C2/c (15) ✔ 2 12 3 0.0 0.230 0.511 (0;110) ✗ 15/02/17
Mn2Hg5 COD 2310198 P4/mbm (127) ✔ 14 180 3 0.0 0.003 0.635 (1;001) ✗ 02/02/17
Rb ICSD 248068 Fddd (70) ✔ 4 36 1 0.0 0.011 0.687 (1;111) ✗ 02/02/17
Nb5Ge3 ICSD 600642 I4/mcm (140) ✔ 16 154 3 0.0 0.001 0.657 (1;000) ✗ 02/02/17
TcPbO3 ICSD 109078 Fd-3m (227) ✔ 20 188 3 0.0 0.004 0.486 (0;000) ✗ 02/02/17
K3Na(SO4)2 COD 1011019 P-3m1 (164) ✔ 14 96 1 0.0 0.003 0.251 (0;000) ✗ 02/02/17
Tl3SbS4 COD 8103549 P1 (1) ✗ 16 136 1 0.0 0.058 1.000 ? ✗ 29/03/17
Si3Mo5 ICSD 644413 I4/mcm (140) ✔ 16 164 3 0.0 0.002 0.665 (1;000) ✗ 02/02/17
Ta ICSD 54206 P-42_1m (113) ✗ 22 286 3 0.0 0.000 0.850 ? ✗ 29/03/17
Tl2SiS3 ICSD 35041 P-1 (2) ✔ 12 96 3 0.0 0.056 0.455 (1;100) ✗ 02/02/17
TiPt3 ICSD 649772 P6_3/mmc (194) ✔ 16 168 3 0.0 0.005 0.276 (1;000) ✗ 02/02/17
CsNiI3 ICSD 423830 P6_3/mmc (194) ✔ 10 80 1 0.0 0.017 0.383 (0;000) ✗ 02/02/17
Cu2Mo3Se4 COD 4300729 P-1 (2) ✔ 18 176 3 0.0 0.065 0.133 (1;111) ✗ 02/02/17
CuGeO3 ICSD 411020 P2_1/c (14) ✔ 20 132 3 0.0 0.016 0.016 (0;010) ✗ 02/02/17
CdCuSb ICSD 619779 F-43m (216) ✗ 3 28 3 0.0 0.000 0.427 ? ✗ 15/02/17
Li(CuO)2 ICSD 71683 Pnma (62) ✔ 20 148 3 0.0 0.000 0.909 (1;011) ✗ 02/02/17
CuSe2 COD 9011302 Pa3 (205) ✔ 12 92 3 0.0 0.000 0.729 (0;111) ✗ 02/02/17
Re2W ICSD 650203 P6_3/mmc (194) ✔ 12 176 3 0.0 0.007 1.000 (0;000) ✗ 02/02/17
K2Mn3S4 ICSD 411172 P2/c (13) ✔ 18 174 2 0.0 0.000 0.660 (0;100) ✗ 02/02/17
Ti3In4 ICSD 59553 P4/mbm (127) ✔ 14 176 3 0.0 0.001 0.381 (1;000) ✗ 02/02/17
KIO4 COD 1010306 I4_1/a (88) ✔ 12 80 1 0.0 0.002 0.338 (1;111) ✗ 02/02/17
Ge3Pt2 ICSD 43683 Pnma (62) ✔ 20 128 3 0.0 0.021 0.907 (0;000) ✗ 02/02/17
Sr5In3 ICSD 640583 I4/mcm (140) ✔ 16 178 1 0.0 0.004 0.654 (0;000) ✗ 02/02/17
Ti3O5 ICSD 20361 Cmcm (63) ✔ 16 132 3 0.0 0.000 0.178 (1;110) ✗ 29/03/17
Te2Ru COD 9012341 Pa3 (205) ✔ 12 112 3 0.0 0.378 0.015 (0;000) ✗ 02/02/17
Rb2MnSe2 ICSD 65457 Ibam (72) ✔ 10 90 1 0.0 0.000 0.280 (0;100) ✗ 02/02/17
LiMgP ICSD 44807 F-43m (216) ✗ 3 18 1 0.0 1.175 0.126 (0;000) ✔ 15/02/17
Zr3Te ICSD 81539 I-4 (82) ✗ 16 72 3 0.0 0.005 0.568 ? ✗ 29/03/17
Zr5Sn4 ICSD 652856 P6_3/mcm (193) ✔ 18 152 3 0.0 0.003 0.672 (0;000) ✗ 02/02/17
LiV2F6 ICSD 35382 P4_2/mnm (136) ✔ 18 142 3 0.0 0.000 0.658 (1;000) ✗ 02/02/17
Ta2NiS5 ICSD 61147 Cmcm (63) ✔ 16 132 2 0.0 0.006 0.090 (0;000) ✗ 02/02/17
Cs3O COD 1528149 P6_3/mcm (193) ✔ 8 66 1 0.0 0.000 0.699 (1;001) ✗ 02/02/17
Cs(TeO3)2 COD 4325436 Fd-3m (227) ✔ 18 114 3 0.0 0.000 0.157 (0;000) ✗ 02/02/17
Ni2PdSe2 ICSD 419760 I4/mmm (139) ✔ 20 200 3 0.0 0.002 0.680 (0;111) ✗ 02/02/17
Tl2Pt3 COD 1523249 P6_3/mmc (194) ✔ 20 224 3 0.0 0.011 0.227 (0;000) ✗ 02/02/17
Rb3Na(RuO4)2 ICSD 416038 P-3m1 (164) ✔ 14 116 1 0.0 0.003 0.072 (0;001) ✗ 02/02/17
Ge2W ICSD 638115 Pnma (62) ✔ 12 144 3 0.0 0.031 0.172 (1;000) ✗ 11/04/17
NbNiP2 COD 1524303 Pnma (62) ✔ 16 132 3 0.0 0.000 0.323 (0;100) ✗ 02/02/17
Fe(Mo3Se4)2 ICSD 632658 P-1 (2) ✔ 15 140 3 0.0 0.015 0.147 (1;000) ✗ 02/02/17
NaTa3N5 COD 1005042 Cmcm (63) ✔ 18 146 3 0.0 0.000 0.705 (1;110) ✗ 02/02/17
Hf5Sn4 ICSD 107313 P6_3/mcm (193) ✔ 18 232 3 0.0 0.005 0.644 (0;000) ✗ 02/02/17
Zr2Ni7 ICSD 2778 C2/m (12) ✔ 18 156 3 0.0 0.006 0.724 (1;000) ✗ 02/02/17
SiO2 ICSD 171573 P3_221 (154) ✗ 9 48 1 0.0 0.004 0.623 ? ✗ 15/02/17
Ga ICSD 2513 R-3m (166) ✔ 22 286 3 0.0 0.006 0.807 (0;111) ✗ 02/02/17
Na5GaGe2 ICSD 169702 P2_1/m (11) ✔ 16 132 1 0.0 0.506 0.077 (0;000) ✗ 02/02/17
Zr5ZnSn3 ICSD 656298 P6_3/mcm (193) ✔ 18 148 3 0.0 0.001 0.971 (1;000) ✗ 02/02/17
In3Ir ICSD 240201 Pnma (62) ✔ 16 224 3 0.0 0.026 0.338 (1;000) ✗ 02/02/17
Al5W ICSD 58206 P6_322 (182) ✗ 12 58 3 0.0 0.000 0.822 ? ✗ 15/02/17
Ta3N5 COD 1528098 Cmcm (63) ✔ 16 128 3 0.0 0.022 0.497 (0;000) ✗ 02/02/17
Cs2Mn3S4 ICSD 65255 Ibam (72) ✔ 18 174 2 0.0 0.000 0.747 (1;100) ✗ 22/03/17
Sr2Ti2As2OF2 ICSD 167013 I4/mmm (139) ✔ 9 74 1 0.0 0.012 0.752 (0;111) ✗ 21/03/17
Y3Rh ICSD 650529 Pnma (62) ✔ 16 200 3 0.0 0.000 0.353 (0;000) ✗ 02/02/17
Zr5GaPb3 ICSD 604202 P6_3/mcm (193) ✔ 18 150 3 0.0 0.000 0.765 (1;000) ✗ 02/02/17
Li8Pb3 COD 1528240 R-3m (166) ✔ 11 66 1 0.0 0.158 0.632 (1;111) ✗ 02/02/17
Ti2In5 ICSD 401730 P4/mbm (127) ✔ 14 178 3 0.0 0.000 0.899 (1;000) ✗ 02/02/17
YMnGe ICSD 97805 Pnma (62) ✔ 12 120 3 0.0 0.011 0.644 (1;000) ✗ 02/02/17
Nb5Ge3 ICSD 2003 I4/mcm (140) ✔ 16 154 3 0.0 0.002 0.613 (0;000) ✗ 02/02/17
NaV(SiO3)2 COD 2010143 C2/c (15) ✔ 20 132 3 0.0 0.009 0.186 (1;000) ✗ 02/02/17
Y2Pt ICSD 649844 Pnma (62) ✔ 12 128 3 0.0 0.012 0.457 (0;000) ✗ 02/02/17
KSb COD 9016016 P2_1/c (14) ✔ 16 112 3 0.0 0.727 1.000 (0;000) ✗ 02/02/17
Y2Si5Ir3 ICSD 641029 Ibam (72) ✔ 20 186 3 0.0 0.000 0.712 (1;010) ✗ 02/02/17
Rb3FeO3 ICSD 154371 C2/m (12) ✔ 14 106 3 0.0 0.041 0.194 (0;000) ✗ 02/02/17
Sr3Ru2O7 COD 2002466 I4/mmm (139) ✔ 12 104 2 0.0 0.001 0.964 (0;000) ✗ 29/03/17
BiPtPb3 ICSD 58834 P4_2/mnm (136) ✔ 20 268 3 0.0 0.001 0.923 (1;000) ✗ 21/03/17
Li2ZnGe COD 1528672 F-43m (216) ✗ 4 22 3 0.0 0.419 0.069 (0;000) ✔ 15/02/17
Na6ZnSn2 COD 4101591 C2/m (12) ✔ 9 94 1 0.0 0.072 0.126 (0;000) ✗ 02/02/17
MnSe2O5 ICSD 73936 C2/c (15) ✔ 16 114 3 0.0 0.000 0.431 (1;011) ✗ 02/02/17
Y2MnNiO6 ICSD 160728 P2_1/c (14) ✔ 20 166 3 0.0 0.000 0.820 (0;101) ✗ 02/02/17
Ni5Ge3 ICSD 77958 C2 (5) ✗ 16 124 3 0.0 0.009 0.546 ? ✗ 15/02/17
NaSn5 ICSD 408045 P-42_1m (113) ✗ 12 158 3 0.0 0.000 0.851 ? ✗ 29/03/17
AlAu4 COD 1523317 P2_13 (198) ✗ 20 188 3 0.0 0.000 0.569 ? ✗ 16/03/17
YTiO3 COD 2101924 Pnma (62) ✔ 20 164 3 0.0 0.001 0.698 (0;110) ✗ 02/02/17
TaTl(PO4)2 ICSD 190109 P321 (150) ✗ 12 84 1 0.0 0.000 0.511 ? ✗ 15/02/17
YZn3 COD 2106397 Pnma (62) ✔ 16 188 3 0.0 0.000 0.763 (1;011) ✗ 02/02/17
Y3Ir ICSD 641173 Pnma (62) ✔ 16 200 3 0.0 0.007 0.149 (1;000) ✗ 02/02/17
Na2MgSn COD 4328980 P6_3/mmc (194) ✔ 8 84 1 0.0 0.024 0.090 (1;000) ✗ 02/02/17
Na2SrSn4 COD 8103057 C2/c (15) ✔ 14 168 1 0.0 0.036 0.351 (0;000) ✗ 02/02/17
MnNiSb ICSD 643120 F-43m (216) ✗ 3 30 3 0.0 0.106 0.663 ? ✗ 15/02/17
Sr(InAu)2 COD 4308152 Pnma (62) ✔ 20 232 3 0.0 0.009 0.886 (0;000) ✗ 21/03/17
Rb2MnS2 ICSD 65454 Ibam (72) ✔ 10 90 1 0.0 0.000 0.274 (1;001) ✗ 02/02/17
ScGePt ICSD 637648 Pnma (62) ✔ 12 100 3 0.0 0.004 0.736 (0;011) ✗ 02/02/17
Ta6Zn7 ICSD 652935 R-3m (166) ✔ 13 162 3 0.0 0.004 0.481 (0;000) ✗ 02/02/17
Sn(Mo3Se4)2 ICSD 603586 R-3 (148) ✔ 15 146 3 0.0 0.000 0.601 (0;111) ✗ 02/02/17
FeTeCl7 ICSD 39530 P1 (1) ✗ 18 126 1 0.0 0.006 0.249 (0;100) ✔ 22/03/17
Ta5Si3 ICSD 652335 P6_3/mcm (193) ✔ 16 154 3 0.0 0.000 0.654 (0;000) ✗ 02/02/17
LiV(SiO3)2 COD 2006833 C2/c (15) ✔ 20 120 3 0.0 0.009 0.160 (1;000) ✗ 02/02/17
LiAlTe2 COD 4321120 P3m1 (156) ✗ 4 18 1 0.0 0.021 0.162 (0;000) ✔ 15/02/17
YGe2Ir ICSD 76509 Immm (71) ✔ 16 144 3 0.0 0.019 0.944 (0;000) ✗ 02/02/17
BeAlB ICSD 43828 F-43m (216) ✗ 3 10 3 0.0 2.310 0.095 (0;000) ✔ 15/02/17
BN ICSD 20946 Fmm2 (42) ✗ 2 8 3 0.0 1.907 0.333 (0;000) ✔ 15/02/17
Be5Fe ICSD 616267 F-43m (216) ✗ 6 28 1 0.0 0.000 0.556 ? ✗ 15/02/17
CaCuSn ICSD 417715 Imm2 (44) ✗ 18 210 3 0.0 0.000 0.882 ? ✗ 21/03/17
In3Rh ICSD 640336 P4_2/mnm (136) ✔ 16 224 3 0.0 0.018 0.342 (0;000) ✗ 02/02/17
ZrTl2PbSe4 ICSD 237508 C2/c (15) ✔ 16 136 3 0.0 0.930 0.030 (0;000) ✗ 02/02/17
In3Ir ICSD 407548 P4_2/mnm (136) ✔ 16 224 3 0.0 0.008 0.307 (0;000) ✗ 02/02/17
Na ICSD 159431 I-43d (220) ✗ 8 72 3 0.0 0.000 0.516 ? ✗ 15/02/17
Sr2MnSbO6 COD 2101591 I4mm (107) ✗ 10 76 3 0.0 0.011 0.791 ? ✗ 15/02/17
SrMg2Pd ICSD 425493 Cmcm (63) ✔ 8 96 1 0.0 0.006 0.519 (1;000) ✗ 02/02/17
CrGe ICSD 626099 P2_13 (198) ✗ 8 72 3 0.0 0.000 0.680 ? ✗ 15/02/17
Tl(MoSe)3 ICSD 53119 P6_3/m (176) ✔ 14 146 1 0.0 0.000 0.290 (0;000) ✗ 02/02/17
NiMoP8 ICSD 71037 P-31c (163) ✔ 20 128 3 0.0 0.002 0.080 (1;000) ✗ 02/02/17
K2MnSe2 ICSD 65456 Ibam (72) ✔ 10 90 1 0.0 0.000 0.274 (0;100) ✗ 02/02/17
Nb5Ga3 ICSD 634736 I4/mcm (140) ✔ 16 208 3 0.0 0.001 0.498 (1;000) ✗ 02/02/17
Ba2CaTl2(CuO4)2 ICSD 65554 I4/mmm (139) ✔ 15 126 3 0.0 0.007 0.704 (0;000) ✗ 21/03/17
Ga3Ir ICSD 634441 P4_2/mnm (136) ✔ 16 224 3 0.0 0.050 0.179 (1;000) ✗ 02/02/17
Li2MnF5 COD 1530560 C2/c (15) ✔ 16 112 1 0.0 0.019 0.219 (0;000) ✗ 22/03/17
VFeMoO7 ICSD 408562 P-1 (2) ✔ 20 154 3 0.0 0.008 0.249 (1;110) ✗ 02/02/17
Cs2MnSe2 ICSD 65458 Ibam (72) ✔ 10 90 1 0.0 0.000 0.325 (1;001) ✗ 02/02/17
Mo3S4 COD 4335444 P-1 (2) ✔ 14 132 3 0.0 0.031 0.280 (1;001) ✗ 02/02/17
YIr3 ICSD 641184 R-3m (166) ✔ 12 186 3 0.0 0.002 0.599 (0;000) ✗ 02/02/17
N2 COD 9014232 Pmna (53) ✔ 16 80 1 0.0 0.002 0.369 (1;100) ✗ 02/02/17
Sr2InPd2 ICSD 391432 C2/c (15) ✔ 10 138 3 0.0 0.000 0.527 (0;011) ✗ 02/02/17
TiGaRh ICSD 108492 F-43m (216) ✗ 3 42 3 0.0 0.000 0.965 ? ✗ 15/02/17
In3Pd5 ICSD 417906 Pbam (55) ✔ 16 258 3 0.0 0.000 0.890 (0;000) ✗ 02/02/17
Zr5Sb3Se ICSD 651545 P6_3/mcm (193) ✔ 18 82 3 0.0 0.000 0.795 (1;000) ✗ 02/02/17
CsFeS2 ICSD 53234 Immm (71) ✔ 8 58 1 0.0 0.002 0.010 (0;111) ✗ 02/02/17
FeSbPt ICSD 633196 P2_13 (198) ✗ 12 92 3 0.0 0.000 0.392 ? ✗ 04/08/17
V(CrC)2 COD 1530865 Cmcm (63) ✔ 10 98 3 0.0 0.000 0.958 (0;110) ✗ 21/03/17
VSbO4 COD 2101705 I4_1md (109) ✗ 12 84 3 0.0 0.004 1.000 ? ✗ 15/02/17
CsV5Se8 ICSD 602327 C2/m (12) ✔ 14 122 3 0.0 0.014 0.563 (0;001) ✗ 02/02/17
Rb(OsO3)2 ICSD 157440 Fd-3m (227) ✔ 18 154 3 0.0 0.000 0.413 (0;000) ✗ 02/02/17
Cr4As3 ICSD 66761 Cm (8) ✗ 14 142 3 0.0 0.003 0.670 ? ✗ 21/03/17
TlAgSe2 COD 1509541 P-31m (162) ✔ 24 216 3 0.0 0.000 0.659 (0;000) ✗ 04/08/17
LiFe(GeO3)2 ICSD 162950 C2/c (15) ✔ 20 110 3 0.0 0.000 0.327 (1;101) ✗ 02/02/17
Li3Ni2SbO6 ICSD 183999 C2/m (12) ✔ 12 70 2 0.0 0.005 0.390 (0;000) ✗ 29/03/17
Mo6PbSe8 ICSD 644118 R-3 (148) ✔ 15 146 3 0.0 0.046 0.388 (1;000) ✗ 02/02/17
Sc(ReO3)2 ICSD 245796 P2_1/c (14) ✔ 18 154 3 0.0 0.000 0.679 (0;110) ✗ 02/02/17
Ti5Ga3 COD 1523287 P6_3/mcm (193) ✔ 16 198 3 0.0 0.000 0.961 (1;000) ✗ 02/02/17
CuTeO3 ICSD 29338 Pnma (62) ✔ 20 140 3 0.0 0.001 0.347 (0;110) ✗ 02/02/17
Ni(Te4Mo3)2 ICSD 644045 P-1 (2) ✔ 15 142 3 0.0 0.011 0.313 (0;001) ✗ 02/02/17
Si2W3 ICSD 652552 P4/mbm (127) ✔ 10 100 1 0.0 0.004 0.457 (1;001) ✗ 02/02/17
K3Na(FeO4)2 ICSD 159909 P-3m1 (164) ✔ 14 100 1 0.0 0.008 0.168 (0;001) ✗ 02/02/17
YGa3Ni2 ICSD 165660 P6/mmm (191) ✔ 18 210 3 0.0 0.002 0.920 (1;001) ✗ 02/02/17
Fe(RhS2)2 ICSD 174045 Fd-3m (227) ✔ 14 132 3 0.0 0.000 0.831 (0;000) ✗ 02/02/17
NaCu3(RuO3)4 ICSD 51893 Im3 (204) ✔ 20 178 3 0.0 0.016 0.700 (0;111) ✗ 02/02/17
Na2Cu4S3 ICSD 628460 C2/m (12) ✔ 18 160 1 0.0 0.018 0.082 (1;000) ✗ 02/02/17
Fe2AgS3 COD 9009340 Cmce (64) ✔ 24 180 3 0.0 0.003 0.585 (0;000) ✗ 04/08/17
W2O7 COD 9014038 Fd-3m (227) ✔ 18 140 3 0.0 0.000 0.848 (0;000) ✗ 02/02/17
Nb3Te4 COD 2310663 P6_3/m (176) ✔ 14 126 3 0.0 0.000 0.974 (0;000) ✗ 02/02/17
Mg3Sn COD 1524089 P-3 (147) ✔ 8 88 3 0.0 0.000 0.627 (1;001) ✗ 02/02/17
MnSi(CuS2)2 ICSD 415452 Pmn2_1 (31) ✗ 16 130 3 0.0 0.000 0.817 ? ✗ 22/03/17
Ba2MnS3 ICSD 603195 Pnma (62) ✔ 24 212 1 0.0 0.000 0.930 (1;011) ✗ 04/08/17
Zr3Fe2Si3 ICSD 633671 Cmcm (63) ✔ 16 80 3 0.0 0.010 0.716 (1;110) ✗ 02/02/17
Sr2Co2O5 COD 1528661 Ima2 (46) ✗ 18 168 3 0.0 0.001 0.488 ? ✗ 22/03/17
Nb5Si3 COD 1528784 I4/mcm (140) ✔ 16 154 3 0.0 0.000 0.607 (0;111) ✗ 02/02/17
Cu2HgGeSe4 ICSD 152761 I-42m (121) ✗ 8 62 3 0.0 0.007 0.007 (1;000) ✔ 15/02/17
TlPd2 ICSD 649055 Pnma (62) ✔ 12 196 3 0.0 0.002 0.554 (0;011) ✗ 02/02/17
MgIn2 ICSD 423608 Fd-3m (227) ✔ 6 72 3 0.0 0.000 0.566 (0;000) ✗ 02/02/17
K2FeF5 COD 1513882 C2/m (12) ✔ 16 122 1 0.0 0.003 0.042 (0;111) ✗ 02/02/17
CsCu2F6 ICSD 62032 Imma (74) ✔ 18 146 3 0.0 0.002 0.256 (1;101) ✗ 02/02/17
YGa6 COD 1523759 P4/nbm (125) ✔ 14 178 3 0.0 0.000 0.695 (1;000) ✗ 02/02/17
NaSbO7 COD 9014085 P6_3mc (186) ✗ 18 112 1 0.0 0.002 0.723 ? ✗ 29/03/17
Ni5Sb2 ICSD 76694 C2 (5) ✗ 14 120 3 0.0 0.009 1.000 ? ✗ 15/02/17
CuSe2O5 COD 2211417 C2/c (15) ✔ 16 106 2 0.0 0.001 0.263 (1;011) ✗ 02/02/17
K3FeO3 COD 1528828 C2/m (12) ✔ 14 106 3 0.0 0.038 0.214 (0;000) ✗ 02/02/17
RbTe6 ICSD 74837 C2/c (15) ✔ 14 90 2 0.0 0.000 0.955 (1;101) ✗ 02/02/17
Cs2NaTiF6 ICSD 42153 R-3m (166) ✔ 20 162 1 0.0 0.000 0.579 (1;111) ✗ 22/03/17
Y5In3 ICSD 640690 P6_3/mcm (193) ✔ 16 188 3 0.0 0.001 0.297 (0;000) ✗ 02/02/17
HfCoSn ICSD 107472 P-62c (190) ✗ 18 258 3 0.0 0.000 0.514 ? ✗ 22/03/17
GaPd COD 8103055 P2_13 (198) ✗ 8 124 3 0.0 0.000 0.518 ? ✗ 15/02/17
Fe2NiP ICSD 153485 I-4 (82) ✗ 16 124 3 0.0 0.025 1.000 ? ✗ 15/02/17
Nb3VSe6 ICSD 645400 P6_322 (182) ✗ 20 176 3 0.0 0.001 0.427 ? ✗ 29/03/17
Sr3Fe2O5 ICSD 420235 Immm (71) ✔ 10 76 1 0.0 0.002 0.926 (0;000) ✗ 22/03/17
ScMn2 ICSD 643548 P6_3/mmc (194) ✔ 12 164 3 0.0 0.000 0.708 (1;000) ✗ 29/03/17
Na(MoSe)3 ICSD 643974 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.320 (0;000) ✗ 24/04/17
HfSb ICSD 638877 P2_13 (198) ✗ 8 68 3 0.0 0.000 0.734 ? ✗ 15/02/17
Hf(MnSn)6 ICSD 54931 P6/mmm (191) ✔ 13 186 3 0.0 0.002 0.639 (0;001) ✗ 02/02/17
Ta2Ni ICSD 644598 P6_3/mcm (193) ✔ 12 144 3 0.0 0.008 0.597 (0;000) ✗ 02/02/17
NaSi6 ICSD 237248 Cmcm (63) ✔ 14 66 3 0.0 0.000 0.792 (0;111) ✗ 02/02/17
K ICSD 157573 I4/mcm (140) ✔ 8 72 3 0.0 0.003 0.840 (0;111) ✗ 02/02/17
LiZnP ICSD 44824 F-43m (216) ✗ 3 20 3 0.0 0.129 0.197 (0;000) ✔ 15/02/17
Co5B2P ICSD 613222 I4/mcm (140) ✔ 16 192 3 0.0 0.006 0.535 (1;111) ✗ 21/03/17
TlCr3Se5 ICSD 626737 C2/m (12) ✔ 18 170 3 0.0 0.004 0.498 (1;001) ✗ 22/03/17
Fe6Ge5 ICSD 23471 C2/m (12) ✔ 22 136 3 0.0 0.002 0.356 (1;110) ✗ 04/08/17
Y3Ga9Pt2 ICSD 658051 Immm (71) ✔ 14 170 3 0.0 0.023 0.290 (1;111) ✗ 02/02/17
Cs2Na2IrO4 ICSD 71624 C2/m (12) ✔ 18 154 3 0.0 0.019 0.258 (0;110) ✗ 02/02/17
Cd5Au3 COD 1510486 I4/mcm (140) ✔ 16 186 3 0.0 0.000 0.569 (1;000) ✗ 21/03/17
Ta5Ga3 COD 1522719 P6_3/mcm (193) ✔ 16 208 3 0.0 0.002 0.935 (0;000) ✗ 02/02/17
YNiGe ICSD 427255 Pnma (62) ✔ 12 100 3 0.0 0.000 0.738 (0;011) ✗ 02/02/17
Hf2Ni2Sn ICSD 407546 P4_2/mnm (136) ✔ 20 232 3 0.0 0.014 0.422 (0;000) ✗ 02/02/17
Cs2P2Pt ICSD 658699 Cmcm (63) ✔ 10 76 2 0.0 0.201 0.046 (0;000) ✗ 02/02/17
NbI3 ICSD 109145 P6_3/mcm (193) ✔ 8 68 1 0.0 0.006 0.336 (0;000) ✗ 02/02/17
Ta3MnS6 ICSD 643472 P6_322 (182) ✗ 20 180 3 0.0 0.007 0.469 ? ✗ 29/03/17
TiSi ICSD 166580 Pmm2 (25) ✗ 8 64 3 0.0 0.005 0.387 (0;000) ✔ 11/04/17
Ba2FeS3 ICSD 615850 Pnma (62) ✔ 24 184 1 0.0 0.004 0.943 (1;000) ✗ 04/08/17
Mn3WO6 COD 2002703 R-3 (148) ✔ 20 190 3 0.0 0.008 0.504 (0;000) ✗ 02/02/17
Si5Ir4 ICSD 640987 P2_1/m (11) ✔ 18 176 3 0.0 0.025 0.811 (1;011) ✗ 02/02/17
Nb3S4 ICSD 645317 P6_3/m (176) ✔ 14 126 3 0.0 0.000 0.961 (1;000) ✗ 02/02/17
Mg3Ru2 COD 1523080 P4_132 (213) ✗ 20 248 3 0.0 0.000 0.508 ? ✗ 29/03/17
LiSi ICSD 96509 I4_1/a (88) ✔ 16 56 1 0.0 0.085 0.336 (1;111) ✗ 02/02/17
YGaPd2 ICSD 657677 Pnma (62) ✔ 16 240 3 0.0 0.011 0.445 (0;000) ✗ 02/02/17
YCr4(CuO4)3 ICSD 248615 Im3 (204) ✔ 20 172 3 0.0 0.004 0.257 (0;000) ✗ 22/03/17
ZrNbP ICSD 75008 Pnma (62) ✔ 12 88 3 0.0 0.003 0.244 (1;000) ✗ 02/02/17
NaFe(SiO3)2 COD 9013273 C2/c (15) ✔ 20 122 3 0.0 0.000 0.432 (0;101) ✗ 02/02/17
TlV5Se8 ICSD 37122 C2/m (12) ✔ 14 126 3 0.0 0.003 0.577 (0;001) ✗ 02/02/17
Mg3In ICSD 51976 R-3m (166) ✔ 16 172 3 0.0 0.018 0.766 (0;000) ✗ 02/02/17
Li2InIr ICSD 107089 F-43m (216) ✗ 4 36 3 0.0 0.030 0.661 ? ✗ 15/02/17
TlCuHSO5 ICSD 36581 P2_1/m (11) ✔ 18 122 2 0.0 0.000 0.346 (0;010) ✗ 02/02/17
Bi4S3 COD 9013958 R-3m (166) ✔ 7 78 3 0.0 0.056 0.304 (1;111) ✗ 21/03/17
MnS COD 9008871 P6_3mc (186) ✗ 4 42 3 0.0 0.000 0.756 ? ✗ 15/02/17
SrIn4Pd ICSD 418179 Cmcm (63) ✔ 12 160 3 0.0 0.021 0.810 (1;110) ✗ 02/02/17
V2CuS4 ICSD 628949 Fd-3m (227) ✔ 14 122 3 0.0 0.001 0.739 (0;000) ✗ 02/02/17
PPb ICSD 40162 P2_1/c (14) ✔ 16 152 1 0.0 0.008 0.483 (0;111) ✗ 02/02/17
PdS COD 9008964 P4_2/m (84) ✔ 16 192 3 0.0 0.012 0.455 (0;000) ✗ 02/02/17
Sr3Li2 COD 1528178 P4_2/mnm (136) ✔ 20 144 1 0.0 0.000 0.522 (1;000) ✗ 29/03/17
BeCl2 COD 4124124 I-43m (217) ✗ 18 108 1 0.0 0.000 0.583 ? ✗ 21/03/17
BiPdSe ICSD 616956 P2_13 (198) ✗ 12 156 3 0.0 0.000 0.613 ? ✗ 21/03/17
Sc3As2 ICSD 611355 P4/m (83) ✔ 20 172 3 0.0 0.000 0.774 (0;111) ✗ 21/03/17
Ca4In2N ICSD 62535 I4_1/amd (141) ✔ 14 142 1 0.0 0.000 0.958 (1;111) ✗ 21/03/17
Ti5Si3 ICSD 168415 P6_3/mcm (193) ✔ 16 144 3 0.0 0.002 0.563 (1;000) ✗ 02/02/17
K3InAu5 COD 4302643 Imma (74) ✔ 18 190 3 0.0 0.003 0.743 (0;011) ✗ 21/03/17
CaAlSi ICSD 155193 P6_3mc (186) ✗ 18 102 1 0.0 0.000 0.959 ? ✗ 16/03/17
Sc3P ICSD 648101 Pnma (62) ✔ 16 152 3 0.0 0.003 0.250 (0;000) ✗ 29/03/17
Li2InRh ICSD 107087 F-43m (216) ✗ 4 36 3 0.0 0.003 0.702 ? ✗ 15/02/17
AsPd5 ICSD 44042 C2 (5) ✗ 12 190 3 0.0 0.004 0.719 ? ✗ 15/02/17
Sr3Fe2Cl2O5 COD 2002334 I4/mmm (139) ✔ 12 90 1 0.0 0.004 0.683 (0;000) ✗ 22/03/17
ZrV2 ICSD 653414 P6_3/mmc (194) ✔ 12 120 3 0.0 0.000 0.770 (0;000) ✗ 02/02/17
MnGeO3 ICSD 290044 C2/c (15) ✔ 20 148 3 0.0 0.009 0.308 (0;110) ✗ 02/02/17
Y5Si3C ICSD 618792 P6_3/mcm (193) ✔ 18 142 3 0.0 0.000 0.608 (0;000) ✗ 02/02/17
Zr2Ni7 ICSD 647170 C2/m (12) ✔ 9 78 3 0.0 0.018 0.476 (0;000) ✗ 29/03/17
Sc5Pb3 COD 2310215 P6_3/mcm (193) ✔ 16 194 3 0.0 0.000 0.821 (0;000) ✗ 02/02/17
CuTe2 ICSD 629329 Pa3 (205) ✔ 12 92 3 0.0 0.000 0.676 (1;111) ✗ 02/02/17
CdAgSb COD 1509176 F-43m (216) ✗ 3 28 3 0.0 0.000 0.392 (0;000) ✔ 15/02/17
Sb2O3 COD 9000012 Pccn (56) ✔ 20 112 1 0.0 1.400 1.000 (0;000) ✗ 02/02/17
MgGa COD 1522869 I4_1/a (88) ✔ 16 184 1 0.0 0.002 0.338 (1;111) ✗ 02/02/17
K2SO4 ICSD 27956 P-3m1 (164) ✔ 14 96 1 0.0 0.010 0.073 (0;000) ✗ 02/02/17
Sr2FeCuSO3 ICSD 84963 P4/nmm (129) ✔ 16 126 1 0.0 0.000 0.752 (1;001) ✗ 02/02/17
Ta5Ga3 ICSD 635491 I4/mcm (140) ✔ 16 208 3 0.0 0.003 0.716 (1;000) ✗ 02/02/17
Ga3Ni5Ge2 ICSD 87203 Cmcm (63) ✔ 20 194 3 0.0 0.000 0.978 (0;000) ✗ 02/02/17
CsTiI3 ICSD 154258 P6_3/mmc (194) ✔ 10 84 1 0.0 0.014 0.483 (0;000) ✗ 02/02/17
Na3NiF6 ICSD 26073 P2_1/c (14) ✔ 20 158 1 0.0 0.000 0.920 (0;000) ✗ 02/02/17
Fe(NiS2)2 COD 9000978 Fd-3m (227) ✔ 14 104 3 0.0 0.001 0.877 (0;000) ✗ 02/02/17
TiSi ICSD 20375 Imm2 (44) ✗ 4 32 3 0.0 0.004 0.370 (0;000) ✔ 15/02/17
TlFe2S3 COD 9013499 Cmcm (63) ✔ 12 94 1 0.0 0.000 0.351 (0;000) ✗ 02/02/17
Cs ICSD 57192 P4_2/mbc (135) ✔ 8 72 3 0.0 0.013 0.468 (0;000) ✗ 02/02/17
CdSnAs2 ICSD 22182 I-42d (122) ✗ 8 72 3 0.0 0.046 0.012 (1;000) ✔ 16/03/17
Fe3S4 COD 9000123 Fd-3m (227) ✔ 14 96 3 0.0 0.024 0.470 (0;000) ✗ 02/02/17
ReSi ICSD 26616 P2_13 (198) ✗ 8 76 3 0.0 0.000 0.672 ? ✗ 15/02/17
MnSeO3 COD 1533149 Pnma (62) ✔ 20 156 3 0.0 0.001 0.434 (0;110) ✗ 02/02/17
HgPd ICSD 40321 P2_13 (198) ✗ 8 120 3 0.0 0.335 0.420 ? ✗ 15/02/17
Mn3As ICSD 40437 Cmcm (63) ✔ 8 100 3 0.0 0.014 0.586 (0;000) ✗ 21/03/17
Cs3MnI5 ICSD 403102 I4/mcm (140) ✔ 18 154 1 0.0 0.000 0.298 (0;111) ✗ 02/02/17
MnPSe3 ICSD 643239 R-3 (148) ✔ 10 76 2 0.0 0.010 0.528 (0;000) ✗ 02/02/17
CsNi2F6 ICSD 31780 Imma (74) ✔ 18 142 3 0.0 0.002 0.528 (0;101) ✗ 02/02/17
Pd4S ICSD 648755 P-42_1c (114) ✗ 10 156 3 0.0 0.019 0.403 ? ✗ 15/02/17
Ga2Ir ICSD 413557 Cmcm (63) ✔ 18 258 3 0.0 0.000 0.968 (1;000) ✗ 02/02/17
Sc5Ga3 ICSD 150543 P6_3/mcm (193) ✔ 16 188 3 0.0 0.001 0.449 (1;000) ✗ 02/02/17
Cu3SbS4 ICSD 30368 Fm-3m (225) ✔ 16 124 3 0.0 0.005 0.360 (0;000) ✗ 02/02/17
KIn9Ni2 COD 4301695 P6/mmm (191) ✔ 12 146 3 0.0 0.019 0.709 (1;001) ✗ 02/02/17
K2Mn2O3 ICSD 61038 P2_1/c (14) ✔ 14 132 3 0.0 0.000 0.388 (1;101) ✗ 02/02/17
Zr5Ga3 ICSD 635686 P6_3/mcm (193) ✔ 16 118 3 0.0 0.000 0.923 (1;000) ✗ 02/02/17
K2Hg7 ICSD 107482 P-3m1 (164) ✔ 9 102 3 0.0 0.000 0.665 (0;001) ✗ 02/02/17
Cu3SnAu ICSD 611766 P2_13 (198) ✗ 20 232 3 0.0 0.004 0.508 ? ✗ 21/03/17
ZrCuSn ICSD 190123 Pnma (62) ✔ 12 116 3 0.0 0.000 0.402 (1;011) ✗ 02/02/17
HfTe3 ICSD 638962 P2_1/m (11) ✔ 8 60 2 0.0 0.062 0.374 (0;000) ✗ 02/02/17
SrNbO3 COD 1521114 Pnma (62) ✔ 20 164 3 0.0 0.002 0.636 (0;110) ✗ 02/02/17
NiP3 COD 1526484 Im3 (204) ✔ 16 100 3 0.0 0.000 0.714 (1;111) ✗ 29/03/17
BaSiPd ICSD 616034 P2_13 (198) ✗ 12 128 3 0.0 0.000 0.481 ? ✗ 21/03/17
YNi4Au ICSD 612233 F-43m (216) ✗ 6 62 3 0.0 0.009 0.950 ? ✗ 15/02/17
Sb2Pt COD 9012348 Pa3 (205) ✔ 12 80 3 0.0 0.170 0.036 (0;000) ✗ 02/02/17
Cs4FeO3 ICSD 423336 P-1 (2) ✔ 16 124 3 0.0 0.006 0.144 (0;000) ✗ 02/02/17
Fe3S4 ICSD 44885 R3m (160) ✗ 7 48 2 0.0 0.008 0.769 ? ✗ 15/02/17
TaSn2 COD 1527604 Fddd (70) ✔ 12 164 3 0.0 0.011 0.650 (1;111) ✗ 02/02/17
Cs(MoS)3 ICSD 603614 P6_3/m (176) ✔ 14 138 1 0.0 0.000 0.295 (0;000) ✗ 02/02/17
Mg(ScGa)2 COD 2016995 P4/mbm (127) ✔ 10 116 3 0.0 0.007 0.746 (0;001) ✗ 02/02/17
Nb5Ga3 ICSD 634751 P6_3/mcm (193) ✔ 16 208 3 0.0 0.001 0.658 (1;000) ✗ 02/02/17
Cr3C2 COD 9009906 Pnma (62) ✔ 20 200 3 0.0 0.003 0.794 (0;000) ✗ 21/03/17
MnTeMoO6 ICSD 163980 P2_12_12 (18) ✗ 18 142 2 0.0 0.000 0.671 ? ✗ 29/03/17
Y5Ir3 ICSD 641185 P6_3/mcm (193) ✔ 16 212 3 0.0 0.002 0.625 (0;000) ✗ 02/02/17
CrSi COD 1010034 P2_13 (198) ✗ 8 72 3 0.0 0.000 0.683 ? ✗ 15/02/17
MnH2SeO5 ICSD 66746 C2/c (15) ✔ 18 106 3 0.0 0.002 0.362 (1;010) ✗ 02/02/17
Hf5Sn3 COD 1523285 P6_3/mcm (193) ✔ 16 204 3 0.0 0.004 0.758 (1;000) ✗ 02/02/17
Zr2Si4Ni3 ICSD 646690 Cmce (64) ✔ 18 108 3 0.0 0.010 0.641 (1;000) ✗ 02/02/17
Mg2Ga COD 1523635 P-62c (190) ✗ 18 198 3 0.0 0.000 0.702 ? ✗ 22/03/17
Pd7Se2 ICSD 65052 P2_1/c (14) ✔ 18 276 3 0.0 0.020 0.383 (1;010) ✗ 02/02/17
TlFeSe2 COD 1524708 C2/m (12) ✔ 8 66 2 0.0 0.016 0.372 (0;000) ✗ 02/02/17
Zn3Ga4Pd7 COD 1522962 R3 (146) ✗ 14 214 3 0.0 0.000 0.719 ? ✗ 22/03/17
ZrSnIr ICSD 408901 P-62c (190) ✗ 18 210 3 0.0 0.000 0.498 ? ✗ 29/03/17
YGeIr ICSD 427251 Pnma (62) ✔ 12 128 3 0.0 0.062 0.417 (0;000) ✗ 02/02/17
K2TcI6 ICSD 65510 P2_1/c (14) ✔ 18 150 1 0.0 0.000 0.897 (0;000) ✗ 02/02/17
Ga3Os ICSD 635023 P4_2/mnm (136) ✔ 16 220 3 0.0 0.401 0.100 (0;000) ✗ 02/02/17
BaAg2GeSe4 ICSD 411405 I222 (23) ✗ 8 60 3 0.0 0.402 0.044 (0;000) ✔ 16/03/17
SrNi5P3 ICSD 33914 Cmcm (63) ✔ 18 150 3 0.0 0.000 0.951 (0;110) ✗ 02/02/17
CdCuSb ICSD 52796 F-43m (216) ✗ 3 28 3 0.0 0.000 0.318 (1;000) ✔ 15/02/17
Y ICSD 281365 P2_1/m (11) ✔ 2 22 1 0.0 0.000 0.850 (1;000) ✗ 02/02/17
BaNiSn3 ICSD 58662 I4mm (107) ✗ 5 62 3 0.0 0.004 0.383 (0;110) ✔ 21/03/17
Ca5Hg3 COD 1527308 I4/mcm (140) ✔ 16 172 2 0.0 0.019 0.388 (0;111) ✗ 21/03/17
Ti4As3 ICSD 611492 I-43d (220) ✗ 14 126 3 0.0 0.000 0.960 ? ✗ 21/03/17
ZrNiSn COD 1523923 F-43m (216) ✗ 3 28 3 0.0 0.560 0.110 (0;000) ✔ 15/02/17
MnSnAu ICSD 54465 F-43m (216) ✗ 3 40 3 0.0 0.000 0.114 (0;000) ✔ 15/02/17
VSnPO5 ICSD 415445 P-1 (2) ✔ 16 124 3 0.0 0.004 0.340 (1;000) ✗ 02/02/17
InSe COD 9008967 P6_3/mmc (194) ✔ 8 76 2 0.0 0.119 0.074 (1;000) ✗ 02/02/17
Rb2NaMnO4 COD 2206577 P2_1/m (11) ✔ 16 132 1 0.0 0.011 0.310 (0;000) ✗ 02/02/17
Y5Si3 ICSD 602005 P6_3/mcm (193) ✔ 16 134 3 0.0 0.000 0.794 (0;000) ✗ 02/02/17
Sr(Cu2Sn)2 ICSD 422455 I4/mcm (140) ✔ 14 164 3 0.0 0.003 0.752 (1;111) ✗ 02/02/17
CoF3 COD 1010416 P321 (150) ✗ 12 114 2 0.0 0.017 0.014 (0;000) ✔ 15/03/17
Mn2CoSb ICSD 160709 F-43m (216) ✗ 4 52 3 0.0 0.010 0.281 (0;000) ✔ 15/02/17
NaV(GeO3)2 ICSD 99742 C2/c (15) ✔ 20 132 3 0.0 0.009 0.165 (1;000) ✗ 02/02/17
NaLiCO3 COD 1010872 P-6m2 (187) ✗ 18 102 3 0.0 0.001 0.657 ? ✗ 15/02/17
CsVI3 ICSD 26453 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.722 (0;000) ✗ 02/02/17
Hf(FeSi)2 ICSD 20933 Pbcm (57) ✔ 20 144 3 0.0 0.002 0.275 (1;001) ✗ 02/02/17
NbCoSn COD 1525308 F-43m (216) ✗ 3 44 3 0.0 0.008 0.229 (0;000) ✔ 15/02/17
Zr5Pb3S ICSD 604197 P6_3/mcm (193) ✔ 18 136 3 0.0 0.000 0.224 (0;000) ✗ 02/02/17
Fe3P ICSD 43365 I-4 (82) ✗ 16 116 3 0.0 0.013 1.000 ? ✗ 15/02/17
BiPtSe ICSD 616991 P2_13 (198) ✗ 12 124 3 0.0 0.000 0.649 ? ✗ 21/03/17
MnSe COD 9008872 P6_3mc (186) ✗ 4 42 3 0.0 0.000 0.726 ? ✗ 15/02/17
Ta2PtSe7 ICSD 61353 C2/m (12) ✔ 20 156 2 0.0 0.012 0.258 (1;000) ✗ 02/02/17
Sr2ZnReO6 ICSD 173492 P2_1/c (14) ✔ 20 166 3 0.0 0.000 0.780 (0;101) ✗ 02/02/17
YGe2Pt ICSD 601773 Immm (71) ✔ 16 116 3 0.0 0.006 0.873 (0;111) ✗ 02/02/17
Ta4Co2PdSe12 ICSD 73319 C2/m (12) ✔ 19 176 3 0.0 0.036 0.130 (0;000) ✗ 22/03/17
Zr2CuSb3 COD 1526689 P-4m2 (115) ✗ 6 34 3 0.0 0.001 0.844 ? ✗ 15/02/17
YMg2 COD 1522922 P6_3/mmc (194) ✔ 12 124 1 0.0 0.000 0.439 (0;000) ✗ 02/02/17
Sr(SbPd)2 ICSD 61194 P4/nmm (129) ✔ 10 112 3 0.0 0.011 0.794 (0;000) ✗ 02/02/17
SrSi6 ICSD 240779 Cmcm (63) ✔ 14 68 3 0.0 0.003 0.928 (0;110) ✗ 02/02/17
ScSiRu ICSD 420417 Pnma (62) ✔ 12 124 3 0.0 0.000 0.711 (1;011) ✗ 29/03/17
NbRh ICSD 645264 Pmma (51) ✔ 12 180 3 0.0 0.008 0.849 (1;100) ✗ 29/03/17
Ca2BAsO8 COD 9000094 I-4 (82) ✗ 12 76 1 0.0 0.005 0.486 ? ✗ 15/02/17
Ti5Sn3 ICSD 652783 P6_3/mcm (193) ✔ 16 204 3 0.0 0.007 0.621 (1;000) ✗ 02/02/17
Ta2NiSe7 ICSD 41619 C2/m (12) ✔ 20 156 2 0.0 0.017 0.172 (1;000) ✗ 02/02/17
Sr2CuF6 ICSD 9926 Cmce (64) ✔ 18 146 1 0.0 0.000 0.779 (0;110) ✗ 02/02/17
Ga5W2 ICSD 635650 P4/mbm (127) ✔ 14 186 3 0.0 0.000 0.974 (0;001) ✗ 02/02/17
V5Si3 ICSD 652501 P6_3/mcm (193) ✔ 16 154 3 0.0 0.000 0.744 (0;000) ✗ 02/02/17
FeSi(AgS2)2 ICSD 425760 Pc (7) ✗ 16 116 3 0.0 0.004 0.400 (1;010) ✔ 11/04/17
Zr5CuPb3 ICSD 628693 P6_3/mcm (193) ✔ 18 146 3 0.0 0.000 0.990 (1;000) ✗ 02/02/17
Sr3MnN3 ICSD 80772 P6_3/m (176) ✔ 14 120 1 0.0 0.002 0.909 (0;000) ✗ 02/02/17
MnTe COD 9008873 P6_3mc (186) ✗ 4 42 3 0.0 0.000 0.743 ? ✗ 15/02/17
FeSeBr7 ICSD 39528 Pc (7) ✗ 18 126 1 0.0 0.000 0.345 (0;100) ✔ 21/03/17
In(MoSe)3 ICSD 53098 P6_3/m (176) ✔ 14 146 3 0.0 0.000 0.307 (0;000) ✗ 02/02/17
Sr3Fe2Br2O5 ICSD 69872 I4/mmm (139) ✔ 12 90 1 0.0 0.006 0.704 (0;000) ✗ 21/03/17
I COD 5900010 P2_1/c (14) ✔ 16 112 1 0.0 0.007 0.889 (1;000) ✗ 02/02/17
Y3In5 ICSD 640691 Cmcm (63) ✔ 16 196 3 0.0 0.003 0.660 (0;110) ✗ 02/02/17
Fe7C3 ICSD 187139 P6_3mc (186) ✗ 20 136 3 0.0 0.000 0.545 ? ✗ 15/02/17
Ti(NbSe2)3 ICSD 645394 P6_322 (182) ✗ 20 174 3 0.0 0.001 0.699 ? ✗ 29/03/17
Zn13Fe COD 2010723 C2/m (12) ✔ 14 164 3 0.0 0.019 0.582 (0;111) ✗ 02/02/17
NaMn(SiO3)2 COD 9003407 C2/c (15) ✔ 20 136 3 0.0 0.033 0.285 (0;000) ✗ 02/02/17
Ti5Ga3 ICSD 635551 I4/mcm (140) ✔ 16 198 3 0.0 0.001 0.692 (0;111) ✗ 02/02/17
SiPd3 ICSD 43702 Pnma (62) ✔ 16 232 3 0.0 0.036 0.113 (0;000) ✗ 02/02/17
Nb5Ga13 COD 1522507 Cmmm (65) ✔ 18 234 3 0.0 0.004 0.957 (0;111) ✗ 22/03/17
FeGeO3 COD 9016670 C2/c (15) ✔ 20 120 3 0.0 0.061 0.097 (0;000) ✗ 02/02/17
Ta2NiSe5 ICSD 61148 C2/c (15) ✔ 16 132 2 0.0 0.016 0.014 (1;000) ✗ 02/02/17
Nb5Si3P ICSD 165098 P6_3/mcm (193) ✔ 18 164 3 0.0 0.001 0.732 (0;000) ✗ 02/02/17
Te4Mo3 COD 2007309 R-3 (148) ✔ 14 132 3 0.0 0.095 0.033 (1;111) ✗ 02/02/17
Nb2Te3 ICSD 280016 C2/m (12) ✔ 10 88 3 0.0 0.017 0.376 (1;000) ✗ 02/02/17
FeHO2 COD 1527237 Cmc2_1 (36) ✗ 8 42 2 0.0 0.000 0.641 ? ✗ 15/02/17
ScCr2Ag(H2O5)2 ICSD 156676 P-1 (2) ✔ 18 114 3 0.0 0.073 0.345 (1;100) ✗ 16/03/17
Zr3Rh5 ICSD 650556 Cmcm (63) ✔ 16 194 3 0.0 0.000 0.821 (0;110) ✗ 02/02/17
Cs2MnTe2 ICSD 65461 Ibam (72) ✔ 10 90 1 0.0 0.000 0.301 (1;001) ✗ 02/02/17
Y2Si5Rh3 ICSD 40760 C2/c (15) ✔ 20 186 3 0.0 0.000 0.534 (0;011) ✗ 02/02/17
TiPd3 ICSD 649049 P6_3/mmc (194) ✔ 16 264 3 0.0 0.001 0.361 (0;000) ✗ 02/02/17
YRu2 ICSD 150516 P6_3/mmc (194) ✔ 12 172 3 0.0 0.003 0.771 (0;000) ✗ 02/02/17
Li2CdPb COD 1524769 F-43m (216) ✗ 4 32 3 0.0 0.000 0.303 (1;000) ✔ 15/02/17
Ni3P COD 9011823 I-4 (82) ✗ 16 140 3 0.0 0.015 0.807 ? ✗ 15/02/17
YMg2 ICSD 642908 P6_3/mmc (194) ✔ 12 124 3 0.0 0.000 0.803 (1;000) ✗ 02/02/17
Zr2InPd2 ICSD 404888 P4_2/mnm (136) ✔ 20 228 3 0.0 0.004 0.549 (0;000) ✗ 02/02/17
Y(Re2Si)2 ICSD 41760 P4_2/mnm (136) ✔ 14 158 3 0.0 0.000 0.960 (1;110) ✗ 02/02/17
Li(YSi)2 ICSD 8160 P4/mbm (127) ✔ 10 66 3 0.0 0.000 0.896 (1;111) ✗ 02/02/17
K2MnTe2 ICSD 65459 Ibam (72) ✔ 10 90 1 0.0 0.000 0.270 (0;011) ✗ 02/02/17
Sr2InPt2 ICSD 391433 C2/c (15) ✔ 10 106 3 0.0 0.000 0.376 (0;101) ✗ 02/02/17
Ga COD 9011120 Cmcm (63) ✔ 20 260 3 0.0 0.009 0.865 (1;000) ✗ 02/02/17
YGa4Ni ICSD 423074 Cmcm (63) ✔ 12 146 3 0.0 0.000 0.909 (1;110) ✗ 02/02/17
MnSbSe2I COD 2013470 C2/m (12) ✔ 10 78 3 0.0 0.006 0.343 (1;111) ✗ 02/02/17
Cu2HgGeTe4 ICSD 656155 I-42m (121) ✗ 8 62 3 0.0 0.008 0.165 (1;000) ✔ 22/03/17
SiPt3 ICSD 77975 Pnma (62) ✔ 16 136 3 0.0 0.014 0.201 (0;000) ✗ 02/02/17
Sb2Te3 ICSD 187496 C2/m (12) ✔ 10 56 3 0.0 0.028 1.000 (1;111) ✗ 02/02/17
Ti5Ge3 ICSD 638051 P6_3/mcm (193) ✔ 16 144 3 0.0 0.003 0.653 (1;000) ✗ 02/02/17
Nb6Fe7 ICSD 188281 R-3m (166) ✔ 13 134 3 0.0 0.004 0.486 (1;000) ✗ 22/03/17
K3Cu2F7 COD 1527503 I4/mmm (139) ✔ 12 98 2 0.0 0.057 0.657 (0;000) ✗ 22/03/17
LiFe2F6 COD 1000239 P4_2nm (102) ✗ 18 122 3 0.0 0.000 0.774 ? ✗ 22/03/17
Tc2Pt(NO2)4 COD 9007726 P-1 (2) ✔ 15 108 1 0.0 0.803 1.000 (0;000) ✗ 02/02/17
FeS ICSD 87502 P6_3mc (186) ✗ 16 112 3 0.0 0.002 0.580 ? ✗ 22/03/17
HfNi5 ICSD 150940 F-43m (216) ✗ 6 62 3 0.0 0.011 0.883 ? ✗ 15/02/17
HgPt2Se3 ICSD 185808 P-3m1 (164) ✔ 12 100 3 0.0 0.027 0.207 (0;001) ✗ 02/02/17
Nb3CrS6 ICSD 626392 P6_322 (182) ✗ 20 178 3 0.0 0.001 0.629 ? ✗ 22/03/17
Sr3Co2Cl2O5 ICSD 90123 I4/mmm (139) ✔ 12 108 1 0.0 0.028 0.519 (0;111) ✗ 22/03/17
SrHg3 ICSD 247140 Pnma (62) ✔ 16 184 3 0.0 0.008 0.411 (0;000) ✗ 02/02/17
RbV5S8 ICSD 602319 C2/m (12) ✔ 14 122 3 0.0 0.006 0.702 (0;001) ✗ 02/02/17
CuO2 ICSD 157553 Cmcm (63) ✔ 6 46 1 0.0 0.000 0.943 (0;110) ✗ 02/02/17
KNa2 ICSD 641263 P6_3/mmc (194) ✔ 12 108 1 0.0 0.000 0.665 (0;000) ✗ 02/02/17
Ba2Mn2Se2OF2 ICSD 183149 I4/mmm (139) ✔ 9 82 1 0.0 0.009 0.650 (0;111) ✗ 21/03/17
TiAsRu ICSD 611300 Ima2 (46) ✗ 18 198 3 0.0 0.004 0.701 ? ✗ 21/03/17
FeHgC4(SN)4 ICSD 87888 I-4 (82) ✗ 14 80 3 0.0 0.005 0.899 ? ✗ 21/03/17
Al3Pd5 ICSD 58118 Pbam (55) ✔ 16 198 3 0.0 0.000 0.869 (0;011) ✗ 16/03/17
Nb3GaAu ICSD 611887 P2_13 (198) ✗ 20 252 3 0.0 0.000 0.562 ? ✗ 21/03/17
P3Rh ICSD 647999 Im3 (204) ✔ 16 128 3 0.0 0.000 0.161 (1;000) ✗ 02/02/17
Zr5Pb3Se ICSD 604205 P6_3/mcm (193) ✔ 18 136 3 0.0 0.001 0.248 (0;000) ✗ 02/02/17
ScNi4Au ICSD 612227 F-43m (216) ✗ 6 62 3 0.0 0.004 0.942 ? ✗ 15/02/17
Sr2LiGe3 ICSD 414574 Fmmm (69) ✔ 12 70 1 0.0 0.008 0.514 (0;110) ✗ 02/02/17
K3Co2F7 ICSD 33524 I4/mmm (139) ✔ 12 110 2 0.0 0.011 0.959 (0;000) ✗ 22/03/17
NbCoSn COD 1524613 F-43m (216) ✗ 3 44 3 0.0 0.210 0.285 (0;000) ✔ 15/02/17
Sr2GeN2 ICSD 153302 Cmce (64) ✔ 20 136 1 0.0 0.015 0.033 (0;000) ✗ 02/02/17
HfRe2 ICSD 150512 P6_3/mmc (194) ✔ 12 168 3 0.0 0.000 0.801 (0;000) ✗ 02/02/17
Zr5Pb3 COD 1522609 P6_3/mcm (193) ✔ 16 124 3 0.0 0.010 0.548 (1;000) ✗ 02/02/17
TlNiO3 COD 7221317 Pnma (62) ✔ 20 164 3 0.0 0.001 0.512 (0;110) ✗ 02/02/17
LiMgBi ICSD 108112 F-43m (216) ✗ 3 28 3 0.0 0.000 0.010 (0;000) ✔ 15/02/17
CsMnCr(CN)6 ICSD 56602 F-43m (216) ✗ 15 92 3 0.0 0.000 0.891 ? ✗ 21/03/17
CaNb2Bi2O9 ICSD 20666 I4/mmm (139) ✔ 14 120 3 0.0 0.001 0.425 (0;111) ✗ 21/03/17
NiP COD 9014942 Pbca (61) ✔ 16 120 3 0.0 0.061 0.180 (0;000) ✗ 02/02/17
MnFeP ICSD 632538 Pnma (62) ✔ 12 112 3 0.0 0.008 0.164 (1;000) ✗ 22/03/17
Cu7Te4 ICSD 43048 P3m1 (156) ✗ 22 202 3 0.0 0.001 0.726 ? ✗ 04/08/17
BaMnBi2 ICSD 615787 I4/mmm (139) ✔ 8 110 2 0.0 0.001 0.777 (1;000) ✗ 21/03/17
Nb3Te4 ICSD 602365 P6_3/m (176) ✔ 14 126 3 0.0 0.000 0.804 (1;000) ✗ 02/02/17
Ta5Ge3 ICSD 637960 P6_3/mcm (193) ✔ 16 154 3 0.0 0.000 0.637 (0;000) ✗ 02/02/17
InFe2CuSe4 ICSD 160047 I-42m (121) ✗ 8 64 3 0.0 0.005 0.480 ? ✗ 15/02/17
KV5Se8 ICSD 602325 C2/m (12) ✔ 14 122 3 0.0 0.011 0.651 (0;001) ✗ 02/02/17
Rb2Mn3S4 ICSD 643392 Ibam (72) ✔ 18 174 2 0.0 0.000 0.908 (0;100) ✗ 29/03/17
K2SrIn7 ICSD 165188 Cmcm (63) ✔ 20 238 3 0.0 0.000 0.850 (1;110) ✗ 29/03/17
Hf5NiSb3 ICSD 638717 P6_3/mcm (193) ✔ 18 170 3 0.0 0.000 0.690 (0;000) ✗ 02/02/17
P COD 9015458 P4/nmm (129) ✔ 4 20 1 0.0 0.005 0.310 (0;000) ✗ 02/02/17
Ti3FeS6 COD 9012120 P-31c (163) ✔ 20 160 3 0.0 0.005 0.335 (1;000) ✗ 02/02/17
BaAg2SnSe4 COD 4000566 I222 (23) ✗ 8 70 3 0.0 0.526 0.035 (0;000) ✔ 16/03/17
Fe3N COD 1011217 P6_322 (182) ✗ 8 58 3 0.0 0.000 0.743 ? ✗ 15/02/17
RhSe2 ICSD 44868 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.746 (1;111) ✗ 02/02/17
Sr(NiP)2 ICSD 85406 Immm (71) ✔ 15 120 2 0.0 0.007 0.951 (1;111) ✗ 02/02/17
FeCu2SnS4 ICSD 181166 P-42m (111) ✗ 8 68 3 0.0 0.005 0.465 ? ✗ 15/02/17
Bi14Mo5 COD 2104407 C2/m (12) ✔ 19 280 1 0.0 0.005 0.650 (0;001) ✗ 21/03/17
Zr2Ga3 COD 1522711 Fdd2 (43) ✗ 10 94 3 0.0 0.000 0.885 ? ✗ 15/02/17
Zr5Sb3 ICSD 153607 P6_3/mcm (193) ✔ 16 70 3 0.0 0.000 0.615 (1;000) ✗ 02/02/17
LiGe ICSD 60843 I4_1/amd (141) ✔ 12 42 1 0.0 0.000 0.849 (1;111) ✗ 22/03/17
SiRh ICSD 79233 P2_13 (198) ✗ 8 84 3 0.0 0.000 0.247 (1;111) ✔ 10/04/17
ZrSnRh ICSD 410397 P-62c (190) ✗ 18 210 3 0.0 0.000 0.507 ? ✗ 29/03/17
V8O ICSD 166600 P4_2/mnm (136) ✔ 18 220 3 0.0 0.007 0.531 (1;000) ✗ 02/02/17
Ta2CuO6 ICSD 83367 P4_2/mnm (136) ✔ 18 146 3 0.0 0.000 0.746 (0;000) ✗ 02/02/17
NbNiTe5 ICSD 73316 Cmcm (63) ✔ 14 106 2 0.0 0.000 0.922 (0;110) ✗ 02/02/17
SrIn3 ICSD 640581 P6_3/mmc (194) ✔ 8 98 3 0.0 0.000 0.939 (0;000) ✗ 02/02/17
NaZr2PdF11 ICSD 77241 C2/m (12) ✔ 15 112 3 0.0 0.004 0.058 (0;000) ✗ 02/02/17
CdHgS4 ICSD 26857 I-4 (82) ✗ 6 48 1 0.0 0.009 0.786 ? ✗ 22/03/17
CsS ICSD 38566 I4_1/amd (141) ✔ 4 30 1 0.0 0.000 0.529 (1;111) ✗ 02/02/17
Mn2SnRu ICSD 182829 F-43m (216) ✗ 4 60 3 0.0 0.004 0.772 ? ✗ 15/02/17
Mo6PbS8 ICSD 644111 R-3 (148) ✔ 15 146 3 0.0 0.001 0.615 (1;000) ✗ 02/02/17
NaVPO5 COD 1001468 P2_1 (4) ✗ 16 114 2 0.0 0.001 0.648 ? ✗ 29/03/17
Rb2Mn3Se4 ICSD 78937 Ibam (72) ✔ 18 174 2 0.0 0.000 0.540 (1;100) ✗ 02/02/17
Nb3Se4 COD 1528080 P6_3/m (176) ✔ 14 126 3 0.0 0.000 0.972 (1;000) ✗ 02/02/17
YPd3S4 ICSD 648764 Pm-3n (223) ✔ 16 178 3 0.0 0.000 0.649 (0;000) ✗ 02/02/17
Si3Mo5 ICSD 644410 P6_3/mcm (193) ✔ 16 164 3 0.0 0.004 0.827 (0;000) ✗ 02/02/17
Rb2Pd ICSD 20675 C2/m (12) ✔ 3 36 1 0.0 0.021 0.605 (1;000) ✗ 02/02/17
CsK2 COD 1525293 P6_3/mmc (194) ✔ 12 108 1 0.0 0.003 0.660 (0;000) ✗ 02/02/17
NiP2W ICSD 646178 P6_3/mmc (194) ✔ 8 96 3 0.0 0.005 0.299 (1;000) ✗ 11/04/17
Sb2O3 COD 9012853 Fd-3m (227) ✔ 20 112 1 0.0 3.145 1.000 (0;000) ✗ 02/02/17
Nb3CuS4 ICSD 628469 P6_3/m (176) ✔ 16 148 3 0.0 0.000 0.701 (0;000) ✗ 02/02/17
Cs COD 9011642 Cmce (64) ✔ 8 72 3 0.0 0.010 0.573 (1;110) ✗ 02/02/17
AsPd3 ICSD 611189 I-4 (82) ✗ 16 236 3 0.0 0.022 0.832 ? ✗ 21/03/17
Na3Hg2 COD 2310237 P4_2/mnm (136) ✔ 20 204 3 0.0 0.013 0.574 (0;000) ✗ 02/02/17
Sn7Os3 COD 1521725 Im-3m (229) ✔ 20 292 3 0.0 0.012 0.129 (1;111) ✗ 02/02/17
PW3 ICSD 648282 I-4 (82) ✗ 16 356 3 0.0 0.006 0.668 ? ✗ 11/04/17
PH2NO4 ICSD 76970 I-42d (122) ✗ 16 72 3 0.0 0.004 0.269 (1;000) ✔ 29/03/17
Tl2HgGeTe4 COD 4000659 I-42m (121) ✗ 8 66 3 0.0 0.076 0.127 (0;000) ✔ 11/04/17
ZrGeRu ICSD 23578 Ima2 (46) ✗ 18 144 3 0.0 0.019 0.601 ? ✗ 22/03/17
NbSn2 COD 1528219 Fddd (70) ✔ 12 164 3 0.0 0.004 0.590 (1;111) ✗ 02/02/17
Cr3B4 COD 1511725 Immm (71) ✔ 7 54 3 0.0 0.010 0.693 (0;000) ✗ 21/03/17
Nb3Si2 ICSD 645431 P4/mbm (127) ✔ 10 94 1 0.0 0.000 0.731 (1;000) ✗ 02/02/17
Tl(TeMo)3 ICSD 603670 P6_3/m (176) ✔ 14 146 3 0.0 0.000 0.321 (1;000) ✗ 02/02/17
Sb2O3 COD 9009748 Pccn (56) ✔ 20 112 3 0.0 2.096 1.000 (0;000) ✗ 02/02/17
HfGaPt ICSD 156268 P-62c (190) ✗ 18 210 3 0.0 0.000 0.509 ? ✗ 22/03/17
Sr3Sn5 ICSD 411981 Cmcm (63) ✔ 16 200 1 0.0 0.020 0.363 (1;110) ✗ 02/02/17
Cs2NiP2 ICSD 656056 Cmcm (63) ✔ 10 76 2 0.0 0.006 0.149 (0;000) ✗ 02/02/17
KNi(PO3)3 ICSD 91527 R3 (146) ✗ 14 88 3 0.0 0.000 0.653 ? ✗ 29/03/17
Mg5Ga2 COD 1522852 Ibam (72) ✔ 14 152 2 0.0 0.003 0.465 (1;111) ✗ 02/02/17
RbCd4As3 COD 4326073 R-3m (166) ✔ 8 72 2 0.0 0.088 0.015 (0;111) ✗ 21/03/17
RbFe2Te3 ICSD 81548 Cmcm (63) ✔ 12 86 1 0.0 0.000 0.674 (0;000) ✗ 02/02/17
Cu ICSD 150681 C2/m (12) ✔ 2 22 1 0.0 0.001 0.054 (1;011) ✗ 02/02/17
CuWO3F2 ICSD 60759 P2_1/m (11) ✔ 14 142 3 0.0 0.000 0.474 (0;010) ✗ 11/04/17
Hf2Si4Ni3 ICSD 40442 Cmce (64) ✔ 18 140 3 0.0 0.007 0.610 (1;000) ✗ 02/02/17
Cr5Si3C ICSD 617535 P6_3/mcm (193) ✔ 18 172 3 0.0 0.005 0.862 (0;000) ✗ 22/03/17
GaPt ICSD 635132 P2_13 (198) ✗ 8 92 3 0.0 0.000 0.380 (0;111) ✔ 11/04/17
Mo3Se4 ICSD 644349 R-3 (148) ✔ 14 132 3 0.0 0.052 0.413 (1;111) ✗ 02/02/17
Y2Ge5Rh3 ICSD 637730 C2/c (15) ✔ 20 186 3 0.0 0.000 0.603 (0;101) ✗ 02/02/17
CrI2 ICSD 2596 Cmc2_1 (36) ✗ 6 56 1 0.0 0.015 0.412 ? ✗ 22/03/17
VAg(PSe3)2 ICSD 68143 C2 (5) ✗ 10 70 2 0.0 0.007 0.288 (1;100) ✔ 16/03/17
K3(PdO2)2 ICSD 245610 Cmcm (63) ✔ 18 174 3 0.0 0.000 0.518 (0;000) ✗ 02/02/17
TiCr2 COD 1525361 P6_3/mmc (194) ✔ 12 160 3 0.0 0.004 0.707 (1;000) ✗ 22/03/17
Nb3NiS6 COD 9011967 P6_322 (182) ✗ 20 170 3 0.0 0.000 0.815 ? ✗ 29/03/17
Sc2Co3Si5 ICSD 624956 Ibam (72) ✔ 20 186 3 0.0 0.000 0.772 (1;111) ✗ 22/03/17
Mg5In2 ICSD 109097 Ibam (72) ✔ 14 152 3 0.0 0.015 0.517 (1;111) ✗ 02/02/17
Li2AgSn2 ICSD 426085 I4_1/amd (141) ✔ 10 90 3 0.0 0.000 0.927 (1;111) ✗ 16/03/17
Nb5Ga3 COD 1522304 I4/mcm (140) ✔ 16 208 3 0.0 0.003 0.587 (1;111) ✗ 02/02/17
Tl2Fe3S4 ICSD 633341 Ibam (72) ✔ 18 148 2 0.0 0.004 1.000 (0;100) ✗ 22/03/17
Sc5Sn3 ICSD 651829 P6_3/mcm (193) ✔ 16 194 3 0.0 0.000 0.821 (0;000) ✗ 29/03/17
TaNiP2 ICSD 646158 Pnma (62) ✔ 16 132 3 0.0 0.001 0.312 (0;011) ✗ 02/02/17
Nb6Zn7 ICSD 645562 R-3m (166) ✔ 13 162 3 0.0 0.009 0.450 (1;111) ✗ 02/02/17
Zr9Pt11 COD 1522663 I4/m (87) ✔ 20 146 3 0.0 0.002 0.376 (0;111) ✗ 02/02/17
Sr2MnGaO5 ICSD 97598 Ima2 (46) ✗ 18 156 3 0.0 0.002 0.753 ? ✗ 22/03/17
Si2Mo3 ICSD 644412 P4/mbm (127) ✔ 10 100 1 0.0 0.002 0.589 (0;000) ✗ 02/02/17
V5Si3 ICSD 652495 I4/mcm (140) ✔ 16 154 3 0.0 0.000 0.323 (0;000) ✗ 02/02/17
In2Ir ICSD 639818 Fddd (70) ✔ 12 172 3 0.0 0.025 0.494 (1;111) ✗ 02/02/17
Re2Mo3C ICSD 618337 P4_132 (213) ✗ 24 304 3 0.0 0.000 0.729 ? ✗ 04/08/17
Ba2CaTl2(CuO4)2 ICSD 78593 I4/mmm (139) ✔ 15 126 3 0.0 0.007 0.975 (0;000) ✗ 21/03/17
AgI COD 1509385 Pm-3m (221) ✔ 2 18 1 0.0 0.256 0.053 (0;000) ✗ 16/03/17
Ge7Ir3 ICSD 53656 Im-3m (229) ✔ 20 158 3 0.0 0.000 0.642 (1;000) ✗ 02/02/17
Ca8In3 ICSD 58909 P-1 (2) ✔ 22 238 1 0.0 0.008 0.453 (0;000) ✗ 08/08/17
VO2 ICSD 281368 Pnma (62) ✔ 24 200 3 0.0 0.006 0.723 (0;000) ✗ 04/08/17
Cs2Mn3Te4 COD 2006421 Ibam (72) ✔ 18 174 2 0.0 0.000 0.635 (0;001) ✗ 22/03/17
Co2Ge ICSD 623417 Pnma (62) ✔ 12 152 3 0.0 0.006 0.260 (0;000) ✗ 22/03/17
H2 ICSD 31543 Pnma (62) ✔ 16 16 1 0.0 0.001 0.476 (1;000) ✗ 02/02/17
Cs2MnSnTe4 ICSD 413084 Fddd (70) ✔ 16 142 1 0.0 0.000 0.689 (1;111) ✗ 22/03/17
Ni3Sn2 COD 1523294 Pnma (62) ✔ 20 232 3 0.0 0.012 0.513 (1;000) ✗ 02/02/17
YGa3Ru ICSD 635239 Pm-3m (221) ✔ 15 198 3 0.0 0.002 0.758 (1;111) ✗ 02/02/17
Ta5Ga2Sn ICSD 635448 I4/mcm (140) ✔ 16 210 3 0.0 0.000 0.547 (0;000) ✗ 02/02/17
Y2Si5Ni3 ICSD 84206 Ibam (72) ✔ 20 144 3 0.0 0.017 0.369 (0;111) ✗ 02/02/17
Os ICSD 27568 P2_1/c (14) ✔ 8 128 1 0.0 0.001 0.042 (1;001) ✗ 02/02/17
HfNiSn ICSD 638731 F-43m (216) ✗ 3 36 3 0.0 0.605 0.124 (0;000) ✔ 15/02/17
CsRe COD 9015216 Pnma (62) ✔ 8 96 1 0.0 0.006 0.325 (0;000) ✗ 02/02/17
ZrNi4Sn COD 1523277 F-43m (216) ✗ 6 58 3 0.0 0.009 0.298 (0;000) ✔ 29/03/17
Zr3(CrGa3)2 ICSD 600972 Pmmn (59) ✔ 22 236 3 0.0 0.003 0.302 (0;010) ✗ 08/08/17
ZnCu2SnSe4 ICSD 189278 I-4 (82) ✗ 8 72 3 0.0 0.040 0.015 (1;000) ✔ 15/02/17
MgCu2TeO12 COD 9004452 P-31m (162) ✔ 16 110 2 0.0 0.000 0.600 (0;000) ✗ 02/02/17
Zr5Si3 ICSD 656924 P6_3/mcm (193) ✔ 16 64 3 0.0 0.000 0.570 (1;000) ✗ 02/02/17
TiNiSn COD 1523922 F-43m (216) ✗ 3 36 3 0.0 0.374 0.113 (0;000) ✔ 15/02/17
KHg COD 2310179 P-1 (2) ✔ 8 84 3 0.0 0.028 0.152 (0;010) ✗ 02/02/17
Zr5CuSb3 ICSD 629010 P6_3/mcm (193) ✔ 18 92 3 0.0 0.001 0.587 (0;000) ✗ 02/02/17
Cr5S6 COD 9007439 P-31c (163) ✔ 22 212 3 0.0 0.003 0.502 (0;000) ✗ 07/08/17
Mg3Ga7Co2 ICSD 157364 C2/c (15) ✔ 24 310 3 0.0 0.000 0.696 (0;101) ✗ 04/08/17
NF COD 9015107 P6_3mc (186) ✗ 4 24 1 0.0 0.001 0.065 (1;000) ✔ 15/02/17
Co3(BO3)2 COD 9011450 Pnnm (58) ✔ 22 186 3 0.0 0.000 0.869 (1;000) ✗ 07/08/17
LiSn4Ru ICSD 412250 I4/mcm (140) ✔ 12 150 3 0.0 0.000 0.496 (1;111) ✗ 02/02/17
K4P3 ICSD 64625 Cmcm (63) ✔ 14 102 1 0.0 0.000 0.967 (1;000) ✗ 02/02/17
Y3RuI3 ICSD 71523 P2_1/m (11) ✔ 14 140 3 0.0 0.014 0.051 (0;000) ✗ 02/02/17
SrIn ICSD 414234 Fdd2 (43) ✗ 16 184 1 0.0 0.007 0.314 ? ✗ 07/08/17
Ba(AsPd)2 ICSD 36377 I4/mmm (139) ✔ 10 112 3 0.0 0.011 0.884 (0;111) ✗ 16/03/17
K6MnS4 ICSD 65448 P6_3mc (186) ✗ 22 186 1 0.0 0.000 0.494 ? ✗ 07/08/17
Ga5Fe6 ICSD 2146 C2/m (12) ✔ 22 226 3 0.0 0.001 0.634 (1;111) ✗ 07/08/17
SrMgPb ICSD 642747 Pnma (62) ✔ 12 136 3 0.0 0.019 0.113 (0;000) ✗ 02/02/17
MgSi7Ir3 COD 2210014 R-3c (167) ✔ 22 178 3 0.0 0.000 0.868 (0;000) ✗ 07/08/17
CoTeMoO6 ICSD 247052 P2_12_12 (18) ✗ 18 146 2 0.0 0.000 0.777 ? ✗ 22/03/17
ZrMnTlF7 ICSD 78041 P2_1/m (11) ✔ 20 162 3 0.0 0.000 0.722 (1;001) ✗ 02/02/17
Zr3(MnGa3)2 ICSD 600973 Pmmn (59) ✔ 22 240 3 0.0 0.005 0.271 (0;000) ✗ 08/08/17
NbSnRh COD 1523921 F-43m (216) ✗ 3 44 3 0.0 0.153 0.425 ? ✗ 15/02/17
RbGa7 COD 2106106 R-3m (166) ✔ 16 200 3 0.0 0.011 0.408 (1;111) ✗ 02/02/17
Co3C ICSD 43521 Pnma (62) ✔ 16 220 3 0.0 0.000 0.581 (0;110) ✗ 22/03/17
NbTe2 COD 2101235 P4/m (83) ✔ 6 50 1 0.0 0.007 0.538 (1;001) ✗ 02/02/17
SnS5N2 COD 2104053 Pbam (55) ✔ 16 108 3 0.0 0.004 0.443 (1;100) ✗ 02/02/17
CuSeO3 ICSD 97747 Pnma (62) ✔ 20 140 3 0.0 0.000 0.479 (0;110) ✗ 02/02/17
Sc3Si3Ni2 ICSD 65760 Cmcm (63) ✔ 16 130 3 0.0 0.000 0.916 (0;000) ✗ 02/02/17
SrSn4 COD 4312755 Cmcm (63) ✔ 10 132 3 0.0 0.023 0.533 (1;110) ✗ 02/02/17
ScNiSn COD 1522179 Pnma (62) ✔ 12 140 3 0.0 0.001 0.665 (0;011) ✗ 02/02/17
Mn3(BO3)2 COD 9011449 Pnnm (58) ✔ 22 174 3 0.0 0.000 0.907 (1;000) ✗ 07/08/17
FePO4 ICSD 281079 P2_1/c (14) ✔ 24 148 3 0.0 0.000 0.467 (0;111) ✗ 04/08/17
Zr7P4 ICSD 648313 C2/m (12) ✔ 22 96 3 0.0 0.013 0.845 (0;001) ✗ 07/08/17
Y2O3 ICSD 192863 C2/m (12) ✔ 15 120 3 0.0 0.006 0.695 (0;000) ✗ 02/02/17
Cr2B ICSD 418163 Fddd (70) ✔ 12 124 3 0.0 0.007 0.560 (1;111) ✗ 21/03/17
Ni2Mo3N COD 6000257 P4_132 (213) ✗ 24 268 3 0.0 0.000 0.511 ? ✗ 04/08/17
Ca3Cd2 ICSD 30082 P4_2nm (102) ✗ 20 216 1 0.0 0.005 0.342 ? ✗ 08/08/17
Na6MnTe4 ICSD 65451 P6_3mc (186) ✗ 22 186 1 0.0 0.000 0.628 ? ✗ 07/08/17
CsHg ICSD 62000 P-1 (2) ✔ 8 84 2 0.0 0.065 0.438 (0;001) ✗ 02/02/17
Nb5N6 ICSD 26252 P6_3/mcm (193) ✔ 22 190 3 0.0 0.000 0.749 (0;000) ✗ 04/08/17
Nb3(BiS3)2 ICSD 74700 P6_3/mcm (193) ✔ 22 210 3 0.0 0.000 0.991 (0;000) ✗ 07/08/17
Cs4O7 COD 1010172 I-43d (220) ✗ 22 156 1 0.0 0.000 0.455 ? ✗ 07/08/17
Bi2(PbS2)3 ICSD 92981 C2/m (12) ✔ 22 216 3 0.0 0.076 0.066 (1;110) ✗ 07/08/17
Sr4IrO6 ICSD 72926 R-3c (167) ✔ 22 186 1 0.0 0.000 0.278 (0;000) ✗ 07/08/17
MgGaH4 ICSD 240696 P2_1/c (14) ✔ 24 108 2 0.0 0.015 0.330 (0;010) ✗ 04/08/17
Ga5Rh3 ICSD 240179 P-1 (2) ✔ 16 232 3 0.0 0.145 0.175 (0;100) ✗ 02/02/17
YZnSn ICSD 152622 P6_3/mmc (194) ✔ 12 148 3 0.0 0.012 0.430 (0;000) ✗ 02/02/17
TlV5S8 COD 1524378 C2 (5) ✗ 14 126 3 0.0 0.001 0.550 ? ✗ 29/03/17
NbFeGe ICSD 632070 Ima2 (46) ✗ 18 150 3 0.0 0.002 0.622 ? ✗ 22/03/17
Cs4O3 COD 9014646 I-43d (220) ✗ 14 108 1 0.0 0.000 0.385 ? ✗ 07/08/17
SrCu ICSD 629306 P6_3/mmc (194) ✔ 8 84 1 0.0 0.015 0.328 (1;000) ✗ 02/02/17
ZnP2 ICSD 43334 P2_1/c (14) ✔ 24 176 3 0.0 0.007 0.068 (1;001) ✗ 04/08/17
TaSbO4 COD 9009788 Pnna (52) ✔ 24 168 3 0.0 1.883 1.000 (0;000) ✗ 04/08/17
Mg2B4Ru5 COD 1511480 Pbam (55) ✔ 22 224 3 0.0 0.014 0.500 (1;100) ✗ 07/08/17
Ta5Si3 COD 1528331 I4/mcm (140) ✔ 16 154 3 0.0 0.001 0.642 (0;111) ✗ 02/02/17
RbMnO2 ICSD 419244 P-1 (2) ✔ 24 216 2 0.0 0.023 0.698 (0;000) ✗ 04/08/17
Ga9Rh2 ICSD 635207 P2_1/c (14) ✔ 22 302 3 0.0 0.000 0.880 (1;000) ✗ 07/08/17
Rb2Zn5Sb4 COD 2018985 Cmcm (63) ✔ 22 196 3 0.0 0.028 0.272 (0;000) ✗ 07/08/17
Na6MnSe4 ICSD 65449 P6_3mc (186) ✗ 22 186 1 0.0 0.000 0.595 ? ✗ 07/08/17
Mo3P COD 4333614 I-42m (121) ✗ 16 188 3 0.0 0.001 0.684 ? ✗ 28/03/17
NaCu3F7 COD 1000232 C2/c (15) ✔ 22 182 3 0.0 0.000 0.650 (1;011) ✗ 07/08/17
Sc5(In2Rh)2 ICSD 414506 Pbam (55) ✔ 22 282 3 0.0 0.000 0.994 (0;000) ✗ 08/08/17
K3(PtO2)2 COD 1528247 Cmcm (63) ✔ 18 142 3 0.0 0.000 0.390 (0;000) ✗ 02/02/17
RbCr3S5 ICSD 73143 C2/m (12) ✔ 18 162 3 0.0 0.001 0.672 (1;000) ✗ 22/03/17
YNiO3 ICSD 191794 Pnma (62) ✔ 20 156 3 0.0 0.000 0.538 (0;110) ✗ 02/02/17
ScSi7Rh3 COD 2106276 R-3c (167) ✔ 22 180 3 0.0 0.001 0.289 (1;000) ✗ 07/08/17
Mn(NbS2)3 ICSD 643019 P6_322 (182) ✗ 20 180 3 0.0 0.009 0.277 ? ✗ 07/08/17
Ba2Ge4Pd5 COD 7029960 Cmce (64) ✔ 22 252 3 0.0 0.020 0.650 (0;110) ✗ 07/08/17
Ca2(ZnSn2)3 ICSD 424107 Cmcm (63) ✔ 22 280 3 0.0 0.005 0.151 (1;110) ✗ 08/08/17
Zr3Rh ICSD 650551 I-4 (82) ✗ 16 116 3 0.0 0.006 0.250 ? ✗ 07/08/17
Ti6Ge5 COD 1008080 Ibam (72) ✔ 22 184 3 0.0 0.005 0.729 (0;111) ✗ 08/08/17
Y3(GaNi3)2 ICSD 634985 Im-3m (229) ✔ 22 238 3 0.0 0.000 0.741 (1;000) ✗ 07/08/17
V3O5 COD 2106479 C2/c (15) ✔ 16 138 3 0.0 0.000 0.593 (1;011) ✗ 10/08/17
Nb3CrSe6 ICSD 626398 P6_322 (182) ✗ 20 178 3 0.0 0.000 0.711 ? ✗ 22/03/17
NiTe2 ICSD 646897 Pa3 (205) ✔ 12 88 3 0.0 0.052 0.072 (1;000) ✗ 02/02/17
Pd16S7 COD 9009819 I-43m (217) ✗ 23 330 3 0.0 0.000 0.651 ? ✗ 07/08/17
TaTe4Rh ICSD 656453 Pmn2_1 (31) ✗ 24 216 2 0.0 0.002 0.118 ? ✗ 04/08/17
TaS3 ICSD 651099 P2_1/m (11) ✔ 24 186 3 0.0 0.000 0.884 (1;011) ✗ 04/08/17
CaFe3O5 COD 9013959 Cmcm (63) ✔ 18 128 3 0.0 0.001 0.535 (0;110) ✗ 07/08/17
Ni6Mo2P3 ICSD 20825 Pmmn (59) ✔ 22 206 3 0.0 0.000 0.798 (0;010) ✗ 07/08/17
Ca3Ru2O7 ICSD 153772 Cmc2_1 (36) ✗ 24 208 2 0.0 0.012 0.483 ? ✗ 04/08/17
Ca3Ag8 ICSD 107145 Im-3m (229) ✔ 22 236 3 0.0 0.000 0.424 (1;111) ✗ 07/08/17
K3Ag2F7 COD 7200989 Ccce (68) ✔ 24 196 3 0.0 0.006 0.470 (0;000) ✗ 07/08/17
V2Cu2O7 COD 9014910 C2/c (15) ✔ 22 180 3 0.0 0.012 0.274 (0;110) ✗ 07/08/17
Na6CoS4 ICSD 624260 P6_3mc (186) ✗ 22 190 1 0.0 0.000 0.828 ? ✗ 07/08/17
NaVF4 ICSD 407013 P2_1/c (14) ✔ 24 200 2 0.0 0.001 0.480 (1;000) ✗ 04/08/17
Sn(Mo2O3)2 COD 4002342 P4/mbm (127) ✔ 22 212 3 0.0 0.012 0.775 (1;000) ✗ 07/08/17
Hf3(MnGa3)2 COD 1522453 Pmmn (59) ✔ 22 288 3 0.0 0.021 0.315 (0;000) ✗ 08/08/17
Ga3Pd5 ICSD 635071 Pbam (55) ✔ 16 258 3 0.0 0.000 0.881 (1;000) ✗ 02/02/17
KFeCl4 COD 4030153 P2_1 (4) ✗ 24 180 1 0.0 0.001 0.784 ? ✗ 04/08/17
Co2P2O7 COD 2006658 P2_1/c (14) ✔ 22 172 3 0.0 0.015 0.457 (1;000) ✗ 07/08/17
Cu2As2O7 COD 4505377 C2/c (15) ✔ 22 148 3 0.0 0.002 0.329 (0;000) ✗ 07/08/17
LiSnSb ICSD 603169 P6_3mc (186) ✗ 24 176 3 0.0 0.000 0.465 ? ✗ 04/08/17
Cr3Ga4 COD 2106580 C2/m (12) ✔ 21 282 3 0.0 0.012 0.549 (1;110) ✗ 07/08/17
CuSO4 COD 9009830 Pnma (62) ✔ 24 164 3 0.0 0.000 0.272 (0;101) ✗ 04/08/17
Mn3(CuBi)4 ICSD 616588 Fm-3m (225) ✔ 22 298 3 0.0 0.000 0.591 (1;000) ✗ 08/08/17
Zr2Si4Cu ICSD 629240 Cmcm (63) ✔ 14 70 3 0.0 0.000 0.849 (0;110) ✗ 02/02/17
Sr4RhO6 ICSD 109297 R-3c (167) ✔ 22 186 2 0.0 0.000 0.575 (0;000) ✗ 07/08/17
V3S ICSD 26515 I-42m (121) ✗ 16 180 3 0.0 0.002 0.642 ? ✗ 29/03/17
Ti(AlCl4)2 ICSD 35154 P2_1/c (14) ✔ 22 148 2 0.0 0.008 0.011 (0;000) ✗ 07/08/17
YB4Ru ICSD 615400 Pbam (55) ✔ 24 156 3 0.0 0.005 0.421 (0;000) ✗ 04/08/17
SiCu2HgTe4 ICSD 656152 I-42m (121) ✗ 8 62 3 0.0 0.014 0.110 (1;000) ✔ 11/04/17
BaMoO2 COD 5910093 I4_1/a (88) ✔ 16 144 3 0.0 0.021 0.336 (1;111) ✗ 21/03/17
P3Pd ICSD 647923 Im3 (204) ✔ 16 132 3 0.0 0.000 0.611 (0;111) ✗ 02/02/17
CsNiF3 ICSD 410393 R-3m (166) ✔ 15 120 3 0.0 0.015 0.438 (0;111) ✗ 02/02/17
YSnIr ICSD 427252 Pnma (62) ✔ 12 168 3 0.0 0.034 0.534 (1;000) ✗ 02/02/17
AlPd5 ICSD 245328 Pnma (62) ✔ 24 372 3 0.0 0.001 0.683 (0;011) ✗ 04/08/17
Y5(In2Pd)2 ICSD 165133 Pbam (55) ✔ 22 286 3 0.0 0.000 0.987 (1;000) ✗ 08/08/17
Ti4FeBi2 ICSD 150146 I4/mcm (140) ✔ 14 172 3 0.0 0.002 0.679 (1;111) ✗ 21/03/17
NbFeTe2 COD 1005004 Pmna (53) ✔ 16 132 2 0.0 0.010 0.595 (1;000) ✗ 02/02/17
Cs2NaNiF6 ICSD 42152 R-3m (166) ✔ 20 158 1 0.0 0.001 0.685 (1;111) ✗ 22/03/17
MgPHO9 COD 9007436 R3 (146) ✗ 12 70 1 0.0 0.009 0.216 (0;000) ✔ 29/03/17
Sn4BRh6 COD 1511321 P6_3/mmc (194) ✔ 22 322 3 0.0 0.000 0.729 (1;000) ✗ 08/08/17
K6CoS4 ICSD 68603 P6_3mc (186) ✗ 22 190 1 0.0 0.000 0.534 ? ✗ 07/08/17
AlPO4 ICSD 66997 P6_422 (181) ✗ 18 96 1 0.0 0.001 0.845 ? ✗ 16/03/17
Ta(NiTe)2 ICSD 66346 Pnma (62) ✔ 20 180 2 0.0 0.001 0.843 (1;011) ✗ 02/02/17
CdI2 ICSD 27292 P3m1 (156) ✗ 18 156 1 0.0 0.017 0.607 ? ✗ 22/03/17
Cs3CrF7 COD 1531505 P4/mbm (127) ✔ 22 180 1 0.0 0.004 0.346 (0;000) ✗ 07/08/17
Ga9Ir2 ICSD 634438 P2_1/c (14) ✔ 22 302 3 0.0 0.000 0.880 (0;010) ✗ 07/08/17
Fe2CuS3 ICSD 159383 Pnma (62) ✔ 24 180 3 0.0 0.000 0.594 (1;110) ✗ 04/08/17
FePO4 ICSD 290337 Pnma (62) ✔ 24 148 3 0.0 0.001 0.184 (1;011) ✗ 04/08/17
MoPCl9 COD 2002166 P-1 (2) ✔ 22 164 1 0.0 0.003 0.367 (0;010) ✗ 04/08/17
NbTe4Os ICSD 656450 Pmn2_1 (31) ✗ 24 212 2 0.0 0.000 0.826 ? ✗ 04/08/17
Ag8S COD 2105382 Imm2 (44) ✗ 9 94 3 0.0 0.003 0.259 (1;100) ✔ 26/04/17
NaSn2 COD 4308468 C2/m (12) ✔ 24 296 1 0.0 0.204 0.147 (0;000) ✗ 04/08/17
FeS COD 9007651 P-62c (190) ✗ 24 168 3 0.0 0.001 0.589 ? ✗ 04/08/17
BaCaCO3 ICSD 27421 P6_3mc (186) ✗ 12 84 1 0.0 0.030 0.029 (0;000) ✔ 22/03/17
Sr(ZnSn)2 ICSD 424108 P2_1/m (11) ✔ 10 124 3 0.0 0.019 0.372 (1;000) ✗ 02/02/17
Zr3Ti2Ga3 COD 1523238 P6_3/mcm (193) ✔ 16 150 3 0.0 0.000 0.951 (1;000) ✗ 02/02/17
K(Mo2O3)2 ICSD 68533 P4/mbm (127) ✔ 22 202 3 0.0 0.000 0.986 (0;001) ✗ 07/08/17
KMnPH2O5 ICSD 71178 Pmn2_1 (31) ✗ 20 122 1 0.0 0.000 0.886 ? ✗ 28/03/17
In2Sn3S7 ICSD 68366 P2_1/m (11) ✔ 24 220 3 0.0 0.197 0.102 (0;000) ✗ 04/08/17
Te2Ir COD 1526502 Pnma (62) ✔ 24 232 3 0.0 0.302 0.247 (0;000) ✗ 04/08/17
Al2VCl8 ICSD 415951 C2/c (15) ✔ 22 150 2 0.0 0.000 0.192 (1;011) ✗ 07/08/17
H7O4 COD 9015632 Ibam (72) ✔ 22 62 2 0.0 0.000 0.810 (1;111) ✗ 04/08/17
Mn3Sn2 ICSD 169060 Pnma (62) ✔ 20 292 3 0.0 0.000 0.722 (0;101) ✗ 29/03/17
Ti(AlCl4)2 ICSD 39565 C2/c (15) ✔ 22 148 2 0.0 0.007 0.196 (0;000) ✗ 07/08/17
Hf5(In2Rh)2 ICSD 412706 Pbam (55) ✔ 22 292 3 0.0 0.011 0.787 (0;100) ✗ 08/08/17
MnGe2Pd3 ICSD 637060 Pnma (62) ✔ 24 308 3 0.0 0.000 0.837 (1;011) ✗ 04/08/17
Ca4IrO6 COD 2012343 R-3c (167) ✔ 22 186 2 0.0 0.001 0.269 (0;000) ✗ 07/08/17
Mo3Pd2N COD 7221282 P4_132 (213) ✗ 24 332 3 0.0 0.000 0.495 ? ✗ 04/08/17
Sc5(In2Ni)2 ICSD 414505 Pbam (55) ✔ 22 254 3 0.0 0.000 0.985 (0;000) ✗ 08/08/17
Mg3Pd COD 8102899 P6_3cm (185) ✗ 24 288 3 0.0 0.000 0.732 ? ✗ 04/08/17
V2Ni(TeO5)2 COD 2017057 P-1 (2) ✔ 15 108 3 0.0 0.025 0.623 (0;000) ✗ 29/03/17
MnF3 ICSD 73113 C2/c (15) ✔ 24 216 3 0.0 0.007 0.231 (1;000) ✗ 04/08/17
Ta5N6 ICSD 166512 P6_3/mcm (193) ✔ 22 190 3 0.0 0.000 0.755 (0;000) ✗ 04/08/17
SbO2 COD 9012314 Pnna (52) ✔ 24 136 3 0.0 1.589 1.000 (0;000) ✗ 04/08/17
GaAu2 COD 1510410 Cmc2_1 (36) ✗ 12 140 3 0.0 0.030 0.239 ? ✗ 07/08/17
Ca5(GaN2)2 ICSD 40372 Cmce (64) ✔ 22 192 1 0.0 0.007 0.018 (0;110) ✗ 07/08/17
Ti4AlN3 COD 1526338 P6_3/mmc (194) ✔ 16 132 3 0.0 0.001 0.087 (1;000) ✗ 07/08/17
SrSiPt ICSD 604437 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.544 ? ✗ 29/03/17
K2Zn5As4 COD 4330271 Cmcm (63) ✔ 22 196 3 0.0 0.494 0.048 (0;000) ✗ 07/08/17
YRh3 ICSD 650532 P6_3/mmc (194) ✔ 24 372 3 0.0 0.003 0.940 (0;000) ✗ 04/08/17
AlAs2 ICSD 28673 Ia3 (206) ✔ 24 104 3 0.0 0.003 0.763 (0;111) ✗ 04/08/17
K6MnTe4 ICSD 65452 P6_3mc (186) ✗ 22 186 1 0.0 0.000 0.563 ? ✗ 07/08/17
Rb4Fe2O5 ICSD 154291 C2/c (15) ✔ 22 164 1 0.0 0.004 0.266 (0;000) ✗ 07/08/17
V2Cu2O7 COD 9004905 P-1 (2) ✔ 22 180 3 0.0 0.002 0.086 (0;000) ✗ 07/08/17
Hf3(VGa3)2 ICSD 600970 Pmmn (59) ✔ 22 280 3 0.0 0.010 0.722 (0;010) ✗ 08/08/17
TeWCl9 ICSD 410945 P-1 (2) ✔ 22 194 1 0.0 0.026 0.011 (0;011) ✗ 07/08/17
Mg3(PO8)2 COD 9001027 C2/m (12) ✔ 21 136 2 0.0 0.000 0.439 (1;111) ✗ 07/08/17
Ti6Sn5 COD 1528037 P6_3/mmc (194) ✔ 22 284 3 0.0 0.001 0.764 (0;000) ✗ 08/08/17
LiCa2Ge3 ICSD 25323 Pnnm (58) ✔ 24 140 1 0.0 0.030 0.934 (1;000) ✗ 04/08/17
HfSb2 ICSD 66780 Pnnm (58) ✔ 24 176 3 0.0 0.043 0.303 (0;000) ✗ 04/08/17
CrCl3 COD 1010575 P3_212 (153) ✗ 24 210 2 0.0 0.002 0.594 ? ✗ 04/08/17
CN COD 2000225 C2/c (15) ✔ 24 108 1 0.0 0.002 0.461 (0;110) ✗ 04/08/17
Li2RuO3 ICSD 202611 C2/m (12) ✔ 12 80 2 0.0 0.087 0.084 (0;001) ✗ 04/08/17
Na6MnS4 COD 1531188 P6_3mc (186) ✗ 22 186 1 0.0 0.000 0.568 ? ✗ 07/08/17
Re2NiO8 ICSD 51016 P-3 (147) ✔ 11 88 3 0.0 0.000 0.600 (0;000) ✗ 04/08/17
CoSeO4 ICSD 25699 Pnma (62) ✔ 24 188 3 0.0 0.000 0.436 (0;101) ✗ 04/08/17
YB4Os ICSD 615147 Pbam (55) ✔ 24 156 3 0.0 0.006 0.393 (0;000) ✗ 04/08/17
Ba3(CrS3)2 COD 1533193 R-3c (167) ✔ 22 188 1 0.0 0.005 0.126 (1;000) ✗ 07/08/17
NbSe3 COD 1009061 P2_1/m (11) ✔ 24 186 3 0.0 0.000 0.964 (0;001) ✗ 04/08/17
V4P2C ICSD 42388 P-62m (189) ✗ 21 198 3 0.0 0.000 0.817 ? ✗ 07/08/17
Y3MnB7 ICSD 614789 Cmcm (63) ✔ 22 138 3 0.0 0.000 0.796 (0;000) ✗ 07/08/17
Na6CoSe4 ICSD 68604 P6_3mc (186) ✗ 22 190 1 0.0 0.000 0.795 ? ✗ 07/08/17
YNiB4 ICSD 615085 I4/mmm (139) ✔ 24 132 3 0.0 0.001 0.623 (0;111) ✗ 04/08/17
V3Zn2N ICSD 644866 P4_132 (213) ✗ 24 272 3 0.0 0.026 0.128 ? ✗ 04/08/17
Rb4CdBr6 ICSD 60625 R-3c (167) ✔ 22 180 1 0.0 0.004 0.321 (1;000) ✗ 07/08/17
Cs5CoCl5 COD 9016507 I4/mcm (140) ✔ 22 194 3 0.0 0.008 0.683 (1;111) ✗ 08/08/17
Rb4O7 COD 1010171 I-43d (220) ✗ 22 156 1 0.0 0.000 0.673 ? ✗ 04/08/17
TaTe4Ru ICSD 656452 Pmn2_1 (31) ✗ 24 212 2 0.0 0.002 0.844 ? ✗ 04/08/17
Ba3(Ge4Rh)4 COD 4333601 I4/mmm (139) ✔ 23 162 3 0.0 0.012 0.752 (0;000) ✗ 07/08/17
Mg5Hg3 COD 1523298 P6_3/mcm (193) ✔ 16 172 3 0.0 0.004 0.528 (1;000) ✗ 02/02/17
MnF3 ICSD 19080 C2/c (15) ✔ 8 72 3 0.0 0.021 0.280 (0;000) ✗ 04/08/17
NbPd3 COD 2310199 Pmmn (59) ✔ 24 402 3 0.0 0.000 0.987 (1;000) ✗ 04/08/17
W2N3 ICSD 186207 P6_3/mmc (194) ✔ 10 142 2 0.0 0.000 0.768 (0;000) ✗ 04/08/17
CoGeTe ICSD 419780 Pbca (61) ✔ 24 216 3 0.0 0.094 0.011 (0;000) ✗ 04/08/17
Sr2LiGe3 ICSD 414575 Pnnm (58) ✔ 24 140 1 0.0 0.008 0.920 (1;000) ✗ 04/08/17
Ni2P2O7 COD 1007247 P2_1/c (14) ✔ 22 144 3 0.0 0.006 0.562 (1;010) ✗ 04/08/17
RhSe2 ICSD 650286 Pnma (62) ✔ 24 232 3 0.0 0.364 0.185 (0;000) ✗ 04/08/17
PbSO4 ICSD 100625 Pnma (62) ✔ 24 176 2 0.0 0.004 0.527 (0;000) ✗ 04/08/17
Ag2BiO3 COD 1509762 Pnna (52) ✔ 24 220 3 0.0 0.017 0.038 (1;011) ✗ 07/08/17
ZrSb2 ICSD 651784 Pnnm (58) ✔ 24 112 3 0.0 0.013 0.292 (0;000) ✗ 04/08/17
LiCa2Si3 ICSD 25322 Pnnm (58) ✔ 24 140 1 0.0 0.002 0.919 (0;000) ✗ 04/08/17
Cu6Sn5 COD 2101211 C2/c (15) ✔ 22 272 3 0.0 0.011 0.696 (0;000) ✗ 07/08/17
W3O ICSD 150496 Pm-3n (223) ✔ 8 180 3 0.0 0.007 0.611 (1;000) ✗ 11/04/17
ScRu2 ICSD 150514 P6_3/mmc (194) ✔ 12 172 3 0.0 0.005 0.771 (0;000) ✗ 29/03/17
CrOF3 ICSD 59123 P4_1 (76) ✗ 20 164 3 0.0 0.001 0.462 ? ✗ 22/03/17
ZrIn2 ICSD 640720 I4_1/amd (141) ✔ 12 120 3 0.0 0.016 0.551 (1;111) ✗ 29/03/17
Cd(AsO4)4 COD 9014972 P-1 (2) ✔ 21 128 2 0.0 0.005 0.517 (0;100) ✗ 04/08/17
FeS ICSD 89381 P2_1/c (14) ✔ 24 168 3 0.0 0.017 0.009 (0;000) ✗ 04/08/17
TcS2 ICSD 81816 P-1 (2) ✔ 12 108 2 0.0 0.010 1.000 (1;111) ✗ 29/03/17
Ta3VSe6 ICSD 651970 P6_322 (182) ✗ 20 176 3 0.0 0.000 0.550 ? ✗ 29/03/17
CsFeI4 ICSD 66811 P2_1/c (14) ✔ 24 180 1 0.0 0.000 0.462 (1;111) ✗ 04/08/17
Sn2Au COD 1510306 Pbca (61) ✔ 24 312 3 0.0 0.037 0.492 (1;000) ✗ 04/08/17
TiVO4 COD 9000828 P2_1/c (14) ✔ 24 196 3 0.0 0.011 0.263 (0;010) ✗ 04/08/17
Cs3MnF7 COD 1531507 P4/mbm (127) ✔ 22 182 1 0.0 0.000 0.959 (0;001) ✗ 07/08/17
Li(C3N2)2 COD 4121261 P2/c (13) ✔ 22 94 1 0.0 0.000 0.530 (0;100) ✗ 04/08/17
MnSnIr COD 1522487 F-43m (216) ✗ 3 46 3 0.0 0.000 0.947 ? ✗ 15/02/17
KAs COD 1527315 Pbcm (57) ✔ 8 56 1 0.0 0.006 0.542 (1;000) ✗ 04/08/17
GaC5 COD 4110964 P-42c (112) ✗ 12 66 3 0.0 0.000 0.575 ? ✗ 21/03/17
K6CoSe4 ICSD 68605 P6_3mc (186) ✗ 22 190 1 0.0 0.000 0.550 ? ✗ 07/08/17
Ni(N4O3)2 COD 9014131 Fm-3m (225) ✔ 15 86 1 0.0 0.000 0.860 (1;000) ✗ 04/08/17
Li2MgIr ICSD 180119 P-43m (215) ✗ 16 132 3 0.0 0.000 0.843 ? ✗ 29/03/17
WO3 COD 1010618 P2_1/m (11) ✔ 16 184 3 0.0 0.005 0.532 (0;001) ✗ 11/04/17
Na4CaSn6 COD 4343931 P6_3/mmc (194) ✔ 22 260 1 0.0 0.009 0.150 (0;000) ✗ 07/08/17
Ca2Os2O7 COD 7222203 Imma (74) ✔ 22 188 3 0.0 0.017 0.323 (1;111) ✗ 07/08/17
Fe11Mo6C5 ICSD 61141 C2/m (12) ✔ 22 192 3 0.0 0.004 0.608 (1;110) ✗ 07/08/17
Re2Si ICSD 57480 P2_1/c (14) ✔ 24 272 3 0.0 0.021 0.505 (0;000) ✗ 04/08/17
Rb5(CoO2)2 ICSD 73191 P-1 (2) ✔ 22 206 3 0.0 0.000 0.271 (0;110) ✗ 07/08/17
YH3 ICSD 154809 P-3c1 (165) ✔ 24 84 3 0.0 0.037 0.008 (1;000) ✗ 04/08/17
V6Ga5 ICSD 635633 P6_3/mmc (194) ✔ 22 286 3 0.0 0.000 0.595 (1;000) ✗ 08/08/17
Ga4Fe3 COD 2106579 C2/m (12) ✔ 21 228 3 0.0 0.002 0.602 (1;111) ✗ 07/08/17
Ba2CoS3 ICSD 160295 Pnma (62) ✔ 24 220 1 0.0 0.001 0.963 (0;011) ✗ 04/08/17
FePO4 COD 1525576 Pnma (62) ✔ 24 148 3 0.0 0.000 0.432 (1;101) ✗ 04/08/17
SrAs ICSD 26264 P-62m (189) ✗ 12 90 1 0.0 0.722 0.182 (0;000) ✔ 21/03/17
ZnCu2SnSe4 ICSD 426288 I-42m (121) ✗ 8 72 3 0.0 0.020 0.004 (1;000) ✔ 15/02/17
CsFeCl4 COD 1527810 Pnma (62) ✔ 24 180 1 0.0 0.000 0.545 (1;011) ✗ 04/08/17
Sn4Rh ICSD 174219 I4_1/acd (142) ✔ 20 292 3 0.0 0.001 0.550 (1;111) ✗ 29/03/17
BaBi4(BrO3)2 ICSD 63366 I4/mmm (139) ✔ 13 120 1 0.0 0.002 0.570 (1;111) ✗ 21/03/17
TaS3 COD 1527789 P2_1/m (11) ✔ 24 186 3 0.0 0.000 0.983 (0;010) ✗ 04/08/17
TiSe ICSD 652055 R-3m (166) ✔ 8 72 3 0.0 0.012 0.693 (1;000) ✗ 29/03/17
Bi4Pb7Se13 COD 4340717 C2/m (12) ✔ 24 236 3 0.0 0.056 0.089 (1;111) ✗ 04/08/17
Sb2S3 ICSD 85302 Pmn2_1 (31) ✗ 20 112 2 0.0 0.034 0.132 ? ✗ 04/08/17
FeB4O7 ICSD 420401 Cmcm (63) ✔ 24 124 3 0.0 0.001 0.095 (1;110) ✗ 04/08/17
VTeO4 COD 1530411 P2_1/c (14) ✔ 24 172 3 0.0 0.019 0.920 (1;000) ✗ 04/08/17
Y3(AlNi3)2 COD 1523107 Im-3m (229) ✔ 22 198 3 0.0 0.000 0.738 (1;000) ✗ 07/08/17
In(TeMo)3 ICSD 53100 P6_3/m (176) ✔ 14 146 3 0.0 0.000 0.299 (0;000) ✗ 24/04/17
BaBPd4 ICSD 247264 Pnma (62) ✔ 24 340 3 0.0 0.000 0.503 (1;011) ✗ 04/08/17
TaTe4Os ICSD 656454 Pmn2_1 (31) ✗ 24 212 2 0.0 0.001 0.826 ? ✗ 04/08/17
Sr2(GaAu2)3 ICSD 426465 R-3c (167) ✔ 22 250 3 0.0 0.000 0.535 (1;000) ✗ 07/08/17
CaAl9Ni ICSD 63626 P6_3/mmc (194) ✔ 22 94 3 0.0 0.000 0.990 (1;000) ✗ 04/08/17
Cu2P2O7 COD 9007764 C2/c (15) ✔ 22 148 3 0.0 0.002 0.230 (0;110) ✗ 07/08/17
Al9Rh2 ICSD 414304 P2_1/c (14) ✔ 22 122 3 0.0 0.000 0.858 (0;010) ✗ 04/08/17
RbCuCl3 COD 1527259 C2 (5) ✗ 20 164 1 0.0 0.024 0.396 ? ✗ 04/08/17
TaCo2 ICSD 625325 P6_3/mmc (194) ✔ 24 376 3 0.0 0.000 0.793 (0;000) ✗ 04/08/17
Sc4BCl6 COD 1511052 Pbam (55) ✔ 22 178 3 0.0 0.000 0.993 (0;011) ✗ 07/08/17
Ti4O7 COD 1528719 P-1 (2) ✔ 22 180 3 0.0 0.019 0.308 (0;000) ✗ 07/08/17
HfGaPd COD 8102958 P-62c (190) ✗ 18 258 3 0.0 0.000 0.436 ? ✗ 22/03/17
Na(Mo2O3)2 ICSD 40962 P4/mbm (127) ✔ 22 202 3 0.0 0.000 0.993 (1;111) ✗ 07/08/17
Ir ICSD 201258 Pmma (51) ✔ 2 34 1 0.0 0.000 0.997 (0;000) ✗ 02/02/17
SrZn5 COD 2310336 Pnma (62) ✔ 24 280 3 0.0 0.001 0.598 (1;000) ✗ 04/08/17
MnSbPd ICSD 76099 F-43m (216) ✗ 3 38 3 0.0 0.148 0.743 ? ✗ 15/02/17
Cs4CdNi3F12 COD 1008268 R-3m (166) ✔ 20 162 3 0.0 0.009 0.207 (1;111) ✗ 22/03/17
SnH2N2O3F2 ICSD 92998 C2 (5) ✗ 20 116 1 0.0 0.001 0.468 ? ✗ 22/03/17
Hf3(CrGa3)2 ICSD 600971 Pmmn (59) ✔ 22 284 3 0.0 0.011 0.288 (0;010) ✗ 08/08/17
Y3Si3Rh2 ICSD 650344 Cmcm (63) ✔ 16 158 3 0.0 0.000 0.941 (0;000) ✗ 02/02/17
Ba3(Ge4Ir)4 ICSD 189363 I4/mmm (139) ✔ 23 162 3 0.0 0.014 0.563 (0;000) ✗ 07/08/17
Cs2MnS2 ICSD 65455 Ibam (72) ✔ 10 90 1 0.0 0.000 0.342 (1;101) ✗ 02/02/17
Y2Ge5Ru3 ICSD 602065 Ibam (72) ✔ 20 180 3 0.0 0.017 0.066 (0;000) ✗ 02/02/17
BaSb2F12 ICSD 39346 P1 (1) ✗ 15 104 1 0.0 6.180 1.000 ? ✗ 15/02/17
Ca8Al3 ICSD 165240 P-1 (2) ✔ 22 178 1 0.0 0.006 0.479 (0;000) ✗ 07/08/17
Mg3Rh ICSD 413720 P6_3cm (185) ✗ 24 282 3 0.0 0.000 0.706 ? ✗ 04/08/17
ScAgSn COD 4307155 Ima2 (46) ✗ 18 216 3 0.0 0.007 0.391 ? ✗ 07/08/17
Na2In ICSD 106857 C222_1 (20) ✗ 24 248 1 0.0 0.056 0.259 ? ✗ 04/08/17
Cu(IO3)2 ICSD 4327 P2_1 (4) ✗ 18 122 3 0.0 0.001 0.526 ? ✗ 22/03/17
NaFeCl4 COD 1528827 P2_12_12_1 (19) ✗ 24 180 1 0.0 0.000 0.328 ? ✗ 04/08/17
Li3(ZnSn2)2 COD 4334091 P6_3/mmc (194) ✔ 18 178 3 0.0 0.000 0.930 (0;000) ✗ 29/03/17
Si5Pt6 ICSD 43283 P2_1/m (11) ✔ 22 160 3 0.0 0.023 0.841 (0;000) ✗ 07/08/17
Ta6Ga5 ICSD 635465 P6_3/mmc (194) ✔ 22 286 3 0.0 0.000 0.545 (1;000) ✗ 07/08/17
SrMgGe ICSD 42458 Pnma (62) ✔ 12 96 1 0.0 0.014 0.013 (0;000) ✗ 02/02/17
K3NiO2 COD 1517826 P4_12_12 (92) ✗ 24 196 3 0.0 0.000 0.581 ? ✗ 04/08/17
YMg4Cu ICSD 419475 Cmmm (65) ✔ 24 248 1 0.0 0.003 0.949 (1;000) ✗ 04/08/17
HfMo2 ICSD 638615 P6_3/mmc (194) ✔ 24 320 3 0.0 0.006 0.930 (0;000) ✗ 04/08/17
HgPO4 COD 9008252 P2_1/c (14) ✔ 24 164 2 0.0 0.006 0.481 (1;000) ✗ 04/08/17
VRe2O9 ICSD 92317 Cmc2_1 (36) ✗ 24 194 3 0.0 0.000 0.985 ? ✗ 04/08/17
MgWO4 COD 9013904 P2/c (13) ✔ 12 96 3 0.0 0.014 1.000 (0;100) ✗ 28/03/17
Ni3S2 COD 9000564 R32 (155) ✗ 5 42 3 0.0 0.001 0.545 ? ✗ 15/02/17
Sb2MoS ICSD 412092 C2/m (12) ✔ 8 60 3 0.0 0.016 0.891 (0;001) ✗ 10/08/17
TaReSi ICSD 600060 Ima2 (46) ✗ 18 192 3 0.0 0.002 0.418 ? ✗ 29/03/17
ZrMnSi2 ICSD 41390 Immm (71) ✔ 24 162 3 0.0 0.004 0.758 (1;000) ✗ 04/08/17
HfFeSi2 ICSD 62614 Immm (71) ✔ 24 168 3 0.0 0.004 0.322 (0;000) ✗ 04/08/17
CuTeAs ICSD 610367 Pna2_1 (33) ✗ 12 88 3 0.0 0.014 0.239 (0;000) ✔ 26/04/17
CuTeO4 COD 2106504 P2_1/c (14) ✔ 24 164 3 0.0 0.011 0.424 (0;000) ✗ 04/08/17
SrNb4O6 ICSD 79355 P4/mmm (123) ✔ 22 196 3 0.0 0.003 0.920 (1;001) ✗ 07/08/17
Ba2MnTe3 COD 7221357 Pnma (62) ✔ 24 212 1 0.0 0.001 0.869 (1;011) ✗ 04/08/17
TiSiRu COD 1523929 Ima2 (46) ✗ 18 192 3 0.0 0.023 0.597 ? ✗ 29/03/17
Li2BPt3 COD 1511225 P4_332 (212) ✗ 24 156 3 0.0 0.000 0.530 ? ✗ 04/08/17
RuCl3 ICSD 20717 P3_112 (151) ✗ 24 222 2 0.0 0.009 0.598 ? ✗ 04/08/17
MnPd2 ICSD 247774 Pnma (62) ✔ 12 204 3 0.0 0.000 0.706 (1;011) ✗ 29/03/17
Sn2Mo ICSD 77114 P6_222 (180) ✗ 18 252 3 0.0 0.000 0.472 ? ✗ 29/03/17
Ta3RhS6 ICSD 650235 P6_322 (182) ✗ 20 184 3 0.0 0.019 0.242 ? ✗ 04/08/17
NbSe3 COD 1008952 P2_1/m (11) ✔ 24 186 1 0.0 0.000 0.825 (0;000) ✗ 04/08/17
SbPdS ICSD 648757 P2_13 (198) ✗ 12 116 3 0.0 0.000 0.570 ? ✗ 29/03/17
Rb2O3 ICSD 248539 I-42d (122) ✗ 20 144 1 0.0 0.003 0.093 (0;000) ✔ 11/04/17
BiPd2Pb COD 9012389 Cmc2_1 (36) ✗ 16 260 3 0.0 0.008 0.842 ? ✗ 21/03/17
Co(C2N3)2 COD 7115193 Pnnm (58) ✔ 22 126 3 0.0 0.000 0.867 (0;000) ✗ 04/08/17
Ta2Se8I ICSD 35190 I422 (97) ✗ 22 162 1 0.0 0.009 0.105 ? ✗ 04/08/17
Fe4O5 COD 9014243 Cmcm (63) ✔ 18 124 3 0.0 0.006 0.896 (1;000) ✗ 22/03/17
TaZn2 ICSD 652936 P6_3/mmc (194) ✔ 24 296 3 0.0 0.007 0.489 (0;000) ✗ 04/08/17
Sc2S3 ICSD 650834 Fddd (70) ✔ 20 160 2 0.0 0.005 0.588 (1;111) ✗ 29/03/17
CsMnF4 COD 1527773 P4/nmm (129) ✔ 24 208 1 0.0 0.001 0.436 (0;000) ✗ 04/08/17
MnAsO4 ICSD 165270 P2_1/c (14) ✔ 24 176 3 0.0 0.010 0.172 (0;000) ✗ 04/08/17
NaCrF4 ICSD 37108 P2_1/c (14) ✔ 24 204 2 0.0 0.004 0.262 (1;111) ✗ 04/08/17
CoB4O7 ICSD 420402 Cmcm (63) ✔ 24 142 3 0.0 0.000 0.488 (0;110) ✗ 04/08/17
FeAsO4 ICSD 73978 P2_1/c (14) ✔ 24 148 3 0.0 0.013 0.161 (0;010) ✗ 04/08/17
Al9Co2 ICSD 57598 P2_1/c (14) ✔ 22 122 3 0.0 0.000 0.858 (0;111) ✗ 04/08/17
Y3B7W COD 1511687 Cmcm (63) ✔ 22 164 3 0.0 0.006 0.095 (1;000) ✗ 07/08/17
Pb3O4 ICSD 97282 Pbam (55) ✔ 14 132 3 0.0 0.004 0.290 (1;100) ✗ 02/02/17
Zr5(In2Rh)2 ICSD 391127 Pbam (55) ✔ 22 212 3 0.0 0.009 0.762 (1;000) ✗ 08/08/17
Tl3AgTe2 COD 7209352 P2_1/c (14) ✔ 24 248 3 0.0 0.007 1.000 (0;001) ✗ 04/08/17
Ga2NiCl8 ICSD 417870 C2/c (15) ✔ 22 184 2 0.0 0.002 0.192 (1;000) ✗ 07/08/17
Al2NiCl8 ICSD 417872 C2/c (15) ✔ 22 144 2 0.0 0.003 0.088 (1;000) ✗ 07/08/17
V3Ga2N ICSD 60643 P4_132 (213) ✗ 24 280 3 0.0 0.000 0.410 ? ✗ 04/08/17
TiFeSi ICSD 633588 Ima2 (46) ✗ 18 144 3 0.0 0.016 0.521 ? ✗ 22/03/17
TaSe2 ICSD 26249 P6_3mc (186) ✗ 12 100 1 0.0 0.046 0.847 ? ✗ 29/03/17
W3O8 COD 2101049 C222 (21) ✗ 11 132 3 0.0 0.000 0.791 ? ✗ 11/04/17
CuClF10 ICSD 35387 P2_1/c (14) ✔ 24 176 2 0.0 0.001 0.267 (1;001) ✗ 04/08/17
KTi2F7 ICSD 174209 Cmmm (65) ✔ 10 82 3 0.0 0.014 0.924 (0;000) ✗ 04/08/17
ScFe2 ICSD 633417 P6_3/mmc (194) ✔ 24 216 3 0.0 0.003 0.815 (1;000) ✗ 04/08/17
Li2MnO3 COD 1513958 C2/m (12) ✔ 12 78 2 0.0 0.058 0.199 (0;000) ✗ 04/08/17
Ta3Al2C ICSD 606257 P4_132 (213) ✗ 24 196 3 0.0 0.000 0.399 ? ✗ 04/08/17
YMnO3 COD 2300162 P6_3/mmc (194) ✔ 10 88 3 0.0 0.012 0.517 (0;000) ✗ 29/03/17
Cu3P COD 4105295 P6_3cm (185) ✗ 24 228 3 0.0 0.005 0.232 ? ✗ 04/08/17
Sr6Ga5N ICSD 77645 R-3c (167) ✔ 24 260 1 0.0 0.007 0.357 (1;000) ✗ 04/08/17
Rb(TeMo)3 ICSD 604499 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.266 (0;000) ✗ 24/04/17
Al3FeSi2 COD 2010455 Pbcn (60) ✔ 24 100 3 0.0 0.000 0.483 (1;110) ✗ 04/08/17
Be ICSD 52706 P2_12_12 (18) ✗ 4 16 1 0.0 0.045 0.184 (0;000) ✔ 15/02/17
Nb3SnS6 ICSD 83038 P6_322 (182) ✗ 20 178 3 0.0 0.000 0.986 ? ✗ 29/03/17
ZnAu3 COD 1510520 Cmce (64) ✔ 16 180 3 0.0 0.014 0.400 (0;000) ✗ 21/03/17
Y2Sn5Rh3 COD 1522512 Cmc2_1 (36) ✗ 20 286 3 0.0 0.000 0.972 ? ✗ 10/04/17
SiPd2 ICSD 648857 P-62m (189) ✗ 9 120 3 0.0 0.000 0.277 (1;000) ✔ 24/04/17
FeCo2(CN)6 COD 1010375 F-43m (216) ✗ 15 96 3 0.0 0.000 0.765 ? ✗ 21/03/17
BaTi2O5 COD 2310593 C2/m (12) ✔ 24 192 3 0.0 0.006 0.420 (1;000) ✗ 04/08/17
H2C3S COD 2016192 P-1 (2) ✔ 24 80 1 0.0 0.081 0.158 (0;000) ✗ 04/08/17
Ta3(BiS3)2 ICSD 74697 P6_3/mcm (193) ✔ 22 210 3 0.0 0.000 0.977 (0;000) ✗ 07/08/17
Ni2W3N ICSD 86170 P4_132 (213) ✗ 24 436 3 0.0 0.000 0.578 ? ✗ 04/08/17
SiNi COD 2300376 P2_13 (198) ✗ 8 56 3 0.0 0.000 0.360 (1;000) ✔ 11/04/17
HfZn2 ICSD 639018 P6_3/mmc (194) ✔ 24 288 3 0.0 0.002 0.871 (1;000) ✗ 04/08/17
Y3Ni7B2 ICSD 615073 P6_3/mmc (194) ✔ 24 218 3 0.0 0.000 0.874 (0;000) ✗ 04/08/17
CuWO4 COD 4000809 P-1 (2) ✔ 12 126 3 0.0 0.030 0.340 (1;011) ✗ 11/04/17
YIn2Ni9 ICSD 192651 P4/mbm (127) ✔ 24 254 3 0.0 0.000 0.798 (1;110) ✗ 04/08/17
TiCl3 ICSD 26070 P3_112 (151) ✗ 24 198 2 0.0 0.000 0.883 ? ✗ 04/08/17
Zn7Sb8Ru9 COD 4317047 Fm-3m (225) ✔ 24 268 3 0.0 0.000 0.697 (1;000) ✗ 04/08/17
ScCoP ICSD 624621 Pnma (62) ✔ 12 132 3 0.0 0.000 0.511 (0;011) ✗ 22/03/17
Na6FeSe4 ICSD 72304 P6_3mc (186) ✗ 22 172 1 0.0 0.000 0.503 ? ✗ 04/08/17
Ca5Ir ICSD 156887 Pnma (62) ✔ 24 268 1 0.0 0.000 0.625 (1;110) ✗ 04/08/17
MnPH2O5 COD 9012515 C2/c (15) ✔ 18 104 3 0.0 0.015 0.579 (0;000) ✗ 28/03/17
HfFe2 ICSD 632249 P6_3/mmc (194) ✔ 24 224 3 0.0 0.001 0.239 (1;000) ✗ 04/08/17
NaFeO2 COD 1009034 Pna2_1 (33) ✗ 16 116 3 0.0 0.002 0.324 (0;101) ✔ 11/04/17
Ir(Cl2F3)2 ICSD 411351 P2_1/c (14) ✔ 22 174 1 0.0 0.000 0.660 (0;101) ✗ 04/08/17
Y2Co7B3 ICSD 656888 P6/mmm (191) ✔ 24 300 3 0.0 0.003 0.415 (0;000) ✗ 04/08/17
KP(HO2)2 COD 9009237 Fdd2 (43) ✗ 16 80 3 0.0 0.003 0.163 (0;000) ✔ 28/03/17
ScCoB4 ICSD 613278 Pbam (55) ✔ 24 160 3 0.0 0.003 0.303 (1;000) ✗ 04/08/17
Cu3P COD 1010037 P-3c1 (165) ✔ 24 228 3 0.0 0.003 0.377 (1;000) ✗ 04/08/17
Sr3Ru2O7 ICSD 151471 Ccce (68) ✔ 24 208 2 0.0 0.008 0.603 (0;000) ✗ 04/08/17
Al2W COD 1528542 P6_422 (181) ✗ 9 60 3 0.0 0.001 0.529 ? ✗ 15/02/17
Al2CoCl8 ICSD 22143 C2/c (15) ✔ 22 158 2 0.0 0.000 0.498 (0;101) ✗ 07/08/17
MnPd3 COD 1523902 I4/mmm (139) ✔ 8 138 3 0.0 0.001 0.841 (0;111) ✗ 29/03/17
Al9Ir2 ICSD 414302 P2_1/c (14) ✔ 22 122 3 0.0 0.000 0.849 (0;010) ✗ 04/08/17
Y2AlGe3 ICSD 78969 Pnma (62) ✔ 24 148 3 0.0 0.001 0.706 (0;011) ✗ 04/08/17
BaCo2P2H2O9 ICSD 84830 C2 (5) ✗ 16 110 2 0.0 0.007 0.518 ? ✗ 15/02/17
NbRh3 ICSD 645261 P6_3/mmc (194) ✔ 24 384 3 0.0 0.000 0.948 (1;000) ✗ 04/08/17
Ti3O5 ICSD 26492 C2/m (12) ✔ 16 132 3 0.0 0.007 0.418 (0;000) ✗ 29/03/17
RbO3 ICSD 6094 P2_1/c (14) ✔ 16 108 1 0.0 0.001 0.210 (1;101) ✗ 02/02/17
K3FeO2 COD 1517825 P4_12_12 (92) ✗ 24 188 2 0.0 0.000 0.445 ? ✗ 04/08/17
Re2W3C ICSD 77384 P4_132 (213) ✗ 24 472 3 0.0 0.001 0.702 ? ✗ 04/08/17
Nb3FeSe6 ICSD 632811 P6_322 (182) ✗ 20 166 3 0.0 0.000 0.775 ? ✗ 22/03/17
SrPO4 COD 9015018 P-1 (2) ✔ 24 156 1 0.0 0.002 0.180 (1;001) ✗ 04/08/17
Mn COD 9011197 P4_132 (213) ✗ 20 300 3 0.0 0.000 0.731 ? ✗ 29/03/17
TaS2 ICSD 52117 R3m (160) ✗ 6 50 1 0.0 0.013 0.851 ? ✗ 15/02/17
NbSbO4 COD 1530606 Pna2_1 (33) ✗ 24 168 3 0.0 2.791 1.000 ? ✗ 04/08/17
Se COD 9011650 P3_121 (152) ✗ 3 18 1 0.0 0.329 0.025 (0;000) ✔ 15/02/17
MnNF3 COD 9016032 Pbam (55) ✔ 10 82 3 0.0 0.000 0.931 (1;000) ✗ 04/08/17
Ti(AlBr4)2 ICSD 40904 C2/c (15) ✔ 22 148 2 0.0 0.009 0.262 (0;000) ✗ 07/08/17
MgGa2 ICSD 23226 Pbam (55) ✔ 24 288 3 0.0 0.010 0.822 (0;100) ✗ 04/08/17
Ba2Cd3Bi4 ICSD 416445 Cmce (64) ✔ 18 232 3 0.0 0.023 0.679 (1;110) ✗ 21/03/17
TiGeOs ICSD 637476 Ima2 (46) ✗ 18 192 3 0.0 0.037 0.565 ? ✗ 22/03/17
Na2Sn3Au ICSD 107556 P6_3/mmc (194) ✔ 24 284 3 0.0 0.011 0.176 (1;000) ✗ 04/08/17
Sb2WO6 ICSD 75595 P1 (1) ✗ 18 148 3 0.0 1.132 1.000 ? ✗ 11/04/17
WSCl4 COD 1527305 P-1 (2) ✔ 12 124 1 0.0 0.048 0.072 (1;111) ✗ 11/04/17
KTe ICSD 73178 P-62m (189) ✗ 12 90 1 0.0 0.589 0.294 (0;000) ✔ 10/04/17
CaMg2 COD 4313241 P6_3/mmc (194) ✔ 24 240 1 0.0 0.001 0.755 (1;000) ✗ 04/08/17
MgSO9 COD 9015164 R3 (146) ✗ 11 70 1 0.0 0.003 0.521 ? ✗ 29/03/17
NbSiRu ICSD 600057 Ima2 (46) ✗ 18 198 3 0.0 0.002 0.832 ? ✗ 29/03/17
NiP3W2 ICSD 41818 C2/m (12) ✔ 12 162 3 0.0 0.036 0.478 (1;001) ✗ 11/04/17
YReB4 ICSD 615278 Pbam (55) ✔ 24 152 3 0.0 0.009 0.494 (0;100) ✗ 04/08/17
Mn3Zn2 ICSD 643934 P4_132 (213) ✗ 20 276 3 0.0 0.000 0.580 ? ✗ 29/03/17
Cu3As COD 1010982 P-3c1 (165) ✔ 24 228 3 0.0 0.013 0.387 (0;000) ✗ 04/08/17
NiWO4 COD 2310619 P2/c (13) ✔ 12 124 3 0.0 0.037 0.108 (1;000) ✗ 11/04/17
Fe3C COD 5910001 P-1 (2) ✔ 16 112 3 0.0 0.012 0.187 (1;011) ✗ 04/08/17
P3Pd7 ICSD 200055 R3 (146) ✗ 20 282 3 0.0 0.002 0.843 ? ✗ 29/03/17
Mn3C ICSD 618248 Pnma (62) ✔ 16 196 3 0.0 0.000 0.874 (0;110) ✗ 22/03/17
YMg2Cu9 ICSD 245208 P6_3/mmc (194) ✔ 24 260 3 0.0 0.002 0.515 (1;000) ✗ 04/08/17
CaCuO2 ICSD 84868 P2_1 (4) ✗ 16 132 3 0.0 0.029 0.279 ? ✗ 04/08/17
SrBPd4 ICSD 247263 Pnma (62) ✔ 24 340 3 0.0 0.000 0.582 (1;011) ✗ 04/08/17
Ca6FeN5 ICSD 33796 P6_3/mcm (193) ✔ 24 186 1 0.0 0.000 0.852 (0;000) ✗ 04/08/17
K3CoO2 ICSD 73212 Pnma (62) ✔ 24 224 1 0.0 0.009 0.038 (0;000) ✗ 04/08/17
Cu3As ICSD 26776 P-3c1 (165) ✔ 24 228 3 0.0 0.003 0.300 (1;000) ✗ 04/08/17
CsIn3 COD 1524224 I-4m2 (119) ✗ 12 144 3 0.0 0.239 0.019 (0;000) ✔ 11/04/17
Al2CuCl8 COD 1528015 P2_1/c (14) ✔ 22 146 2 0.0 0.000 0.655 (0;000) ✗ 04/08/17
S ICSD 20710 P3 (143) ✗ 18 108 1 0.0 0.000 0.757 ? ✗ 29/03/17
TaTe4Ir ICSD 73322 Pmn2_1 (31) ✗ 24 216 2 0.0 0.002 0.132 ? ✗ 04/08/17
VCo3 ICSD 625533 P6_3/mmc (194) ✔ 24 384 3 0.0 0.002 0.988 (1;000) ✗ 04/08/17
CuMoO4 ICSD 190443 P-1 (2) ✔ 24 196 3 0.0 0.022 0.740 (0;000) ✗ 04/08/17
Zr3O ICSD 23402 R32 (155) ✗ 16 72 3 0.0 0.000 0.299 (0;111) ✔ 11/04/17
Rb3NiO2 ICSD 424580 P4_12_12 (92) ✗ 24 196 3 0.0 0.000 0.752 ? ✗ 04/08/17
SnRh COD 7221174 P2_13 (198) ✗ 8 124 3 0.0 0.000 0.365 (0;100) ✔ 10/04/17
TiGa2 ICSD 635561 I4_1/amd (141) ✔ 12 152 3 0.0 0.005 0.600 (1;111) ✗ 22/03/17
CN2 COD 4300179 P2_1/c (14) ✔ 24 112 1 0.0 0.003 0.752 (0;000) ✗ 04/08/17
ScNiB4 COD 1511495 Pbam (55) ✔ 24 132 3 0.0 0.016 0.670 (0;000) ✗ 04/08/17
H2O COD 1011024 Ibam (72) ✔ 24 64 2 0.0 0.002 0.187 (0;000) ✗ 04/08/17
CdCu2 ICSD 150582 P6_3/mmc (194) ✔ 24 272 3 0.0 0.002 0.824 (0;000) ✗ 04/08/17
RbVP2S7 ICSD 73782 C2 (5) ✗ 11 74 2 0.0 0.011 0.754 ? ✗ 29/03/17
Hg5Au6 COD 1510579 P6_3/mcm (193) ✔ 22 252 3 0.0 0.003 0.704 (1;000) ✗ 07/08/17
SnTePd ICSD 162404 Pbca (61) ✔ 24 304 3 0.0 0.044 0.145 (1;000) ✗ 04/08/17
RbPd2F5 ICSD 72299 Imma (74) ✔ 16 160 3 0.0 0.006 0.556 (0;000) ✗ 02/02/17
SNO4 COD 9008019 P2_1/c (14) ✔ 24 140 1 0.0 0.006 0.322 (0;000) ✗ 04/08/17
K(Sn3Au2)2 COD 4304501 Fddd (70) ✔ 22 274 3 0.0 0.000 0.717 (1;111) ✗ 08/08/17
Sc4NCl6 ICSD 201978 Pbam (55) ✔ 22 182 3 0.0 0.000 0.970 (0;000) ✗ 07/08/17
Ag3PO4 COD 1010324 P-43n (218) ✗ 16 124 3 0.0 0.108 0.029 (0;000) ✔ 26/04/17
AgAsSe ICSD 604753 Pna2_1 (33) ✗ 12 88 3 0.0 0.017 0.318 (0;000) ✔ 13/04/17
ZrFe2 ICSD 634194 P6_3/mmc (194) ✔ 24 160 3 0.0 0.001 0.272 (1;000) ✗ 04/08/17
BaFe4O7 ICSD 2530 P6_3/m (176) ✔ 24 168 3 0.0 0.002 0.763 (0;000) ✗ 04/08/17
Na3CoO2 ICSD 73211 P4_2/mnm (136) ✔ 24 224 1 0.0 0.020 0.295 (0;000) ✗ 04/08/17
MnMoO4 COD 1527061 C2/m (12) ✔ 24 212 3 0.0 0.002 0.507 (1;110) ✗ 04/08/17
ZnS ICSD 42799 P3m1 (156) ✗ 24 216 2 0.0 0.021 0.469 ? ✗ 04/08/17
MnB4O7 ICSD 391409 Cmcm (63) ✔ 24 138 3 0.0 0.000 0.469 (0;000) ✗ 04/08/17
SrSi2 ICSD 652289 P4_332 (212) ✗ 12 72 3 0.0 0.003 0.068 (0;000) ✔ 26/04/17
BNF4 COD 9015016 Pnma (62) ✔ 24 144 1 0.0 0.005 0.482 (0;000) ✗ 04/08/17
NbCo3 ICSD 150944 P6_3mc (186) ✗ 24 384 3 0.0 0.000 0.801 ? ✗ 04/08/17
CaSi7Ir3 ICSD 181449 R-3c (167) ✔ 22 178 3 0.0 0.000 0.794 (0;000) ✗ 07/08/17
Cr4InCuSe8 ICSD 250246 F-43m (216) ✗ 14 128 3 0.0 0.001 0.263 (0;001) ✔ 24/04/17
Y4CdRu ICSD 419070 F-43m (216) ✗ 24 288 3 0.0 0.000 0.267 ? ✗ 04/08/17
Ti(NbS2)3 ICSD 645331 P6_322 (182) ✗ 20 174 3 0.0 0.001 0.647 ? ✗ 29/03/17
YWC2 ICSD 619103 Pnma (62) ✔ 16 188 3 0.0 0.000 0.538 (0;011) ✗ 11/04/17
MgZn ICSD 151402 Imm2 (44) ✗ 24 264 3 0.0 0.008 0.770 ? ✗ 04/08/17
Zn2SiO5 COD 9015618 Imm2 (44) ✗ 16 116 3 0.0 0.005 0.337 ? ✗ 04/08/17
YSiPd ICSD 408080 Pmmn (59) ✔ 24 264 3 0.0 0.006 0.889 (0;010) ✗ 04/08/17
CsTiF4 COD 1008151 P4/nmm (129) ✔ 24 196 1 0.0 0.009 0.608 (0;001) ✗ 04/08/17
YSiRh2 ICSD 61381 P6_3/mmc (194) ✔ 24 294 3 0.0 0.000 0.640 (1;000) ✗ 04/08/17
TaCr2 COD 1527318 P6_3/mmc (194) ✔ 12 164 3 0.0 0.004 0.659 (0;000) ✗ 22/03/17
Ti2Sn3 COD 4000005 Cmce (64) ✔ 20 264 3 0.0 0.010 0.504 (1;110) ✗ 29/03/17
GaPt2 COD 1523391 Pmma (51) ✔ 24 264 3 0.0 0.022 0.386 (0;110) ✗ 04/08/17
Y3ReB7 COD 1511686 Cmcm (63) ✔ 22 138 3 0.0 0.000 0.658 (1;110) ✗ 07/08/17
SrSn3Pd COD 1523463 I4mm (107) ✗ 5 70 3 0.0 0.015 0.376 (0;001) ✔ 29/03/17
Cr2GaS4 ICSD 626049 F-43m (216) ✗ 14 130 3 0.0 0.000 0.616 ? ✗ 22/03/17
Fe(CuS)2 COD 9003725 F-43m (216) ✗ 20 168 3 0.0 0.002 0.828 ? ✗ 22/03/17
SiPt2 ICSD 649614 P-62m (189) ✗ 9 72 3 0.0 0.000 0.290 (1;000) ✔ 26/04/17
Fe7Mo6 COD 1501463 R-3m (166) ✔ 13 140 3 0.0 0.004 0.523 (1;000) ✗ 22/03/17
HfNiSn COD 1522918 F-43m (216) ✗ 3 36 3 0.0 0.029 0.295 (1;000) ✔ 15/02/17
IClO COD 9009192 Pmmn (59) ✔ 6 40 2 0.0 0.054 0.575 (0;000) ✗ 22/03/17
Tl2CN2 ICSD 417297 P-1 (2) ✔ 15 120 3 0.0 0.052 1.000 (0;110) ✗ 22/03/17
Sr2Fe2O5 COD 2002240 Ima2 (46) ✗ 18 132 3 0.0 0.001 0.480 ? ✗ 22/03/17
Ba3(LiAs)4 COD 2008761 Immm (71) ✔ 11 62 1 0.0 0.002 0.021 (0;000) ✗ 21/03/17
TiGeRh ICSD 637708 Ima2 (46) ✗ 18 198 3 0.0 0.001 0.930 ? ✗ 22/03/17
HfCuP COD 4031203 P3m1 (156) ✗ 3 28 3 0.0 0.001 0.057 (1;100) ✔ 15/02/17
Li2Sb COD 7221229 P-62c (190) ✗ 18 66 1 0.0 0.000 0.835 ? ✗ 29/03/17
Sr(AsO4)2 COD 9014488 P-1 (2) ✔ 22 136 1 0.0 0.006 0.500 (1;000) ✗ 04/08/17
MnV4(CuO4)3 ICSD 250793 Im3 (204) ✔ 20 172 3 0.0 0.000 0.624 (1;111) ✗ 22/03/17
Rb2FeI4 ICSD 8010 P2_1 (4) ✗ 14 108 1 0.0 0.004 0.045 (0;000) ✔ 22/03/17
NaCd4As3 COD 4326071 R-3m (166) ✔ 8 72 2 0.0 0.060 0.092 (0;111) ✗ 21/03/17
NiAs2 COD 9000258 Pbca (61) ✔ 24 160 3 0.0 0.008 0.281 (0;000) ✗ 04/08/17
Ti3Ge ICSD 638055 I-4 (82) ✗ 16 160 3 0.0 0.001 0.799 ? ✗ 28/03/17
TaTe4 ICSD 62049 P4/mcc (124) ✔ 10 74 3 0.0 0.000 0.594 (1;110) ✗ 02/02/17
SO4 ICSD 37435 F-43m (216) ✗ 5 30 1 0.0 0.000 0.598 ? ✗ 15/02/17
TaSiRu ICSD 600058 Ima2 (46) ✗ 18 198 3 0.0 0.000 0.758 ? ✗ 29/03/17
Ba(PO4)2 COD 9015132 P-1 (2) ✔ 22 136 1 0.0 0.001 0.505 (1;001) ✗ 04/08/17
GeRh ICSD 53890 P2_13 (198) ✗ 8 84 3 0.0 0.000 0.300 (0;100) ✔ 15/02/17
Sc5Si3 ICSD 651814 P6_3/mcm (193) ✔ 16 134 3 0.0 0.000 0.789 (1;000) ✗ 02/02/17
MnSbPt ICSD 57421 F-43m (216) ✗ 3 30 3 0.0 0.000 0.740 ? ✗ 15/02/17
Ba6Ga5N ICSD 77731 R-3c (167) ✔ 24 260 1 0.0 0.003 0.093 (1;000) ✗ 04/08/17
BiMoO2 COD 2000338 I4_1/a (88) ✔ 16 164 3 0.0 0.023 0.324 (1;111) ✗ 21/03/17
TiNi COD 9014315 P-3 (147) ✔ 18 198 3 0.0 0.002 0.890 (1;001) ✗ 29/03/17
CrH ICSD 76745 P6_3mc (186) ✗ 4 30 3 0.0 0.000 0.739 ? ✗ 15/02/17
Nb3Au2 ICSD 612191 P4_132 (213) ✗ 20 244 3 0.0 0.000 0.820 ? ✗ 21/03/17
Y5Pt3 ICSD 649842 P6_3/mcm (193) ✔ 16 170 3 0.0 0.000 0.900 (1;000) ✗ 02/02/17
Mg3Pt ICSD 54253 P6_3cm (185) ✗ 24 240 3 0.0 0.000 0.639 ? ✗ 04/08/17
NbI5 ICSD 25503 P2_1/c (14) ✔ 24 192 1 0.0 0.045 0.106 (0;000) ✗ 04/08/17
SrCrF4 ICSD 9929 I4/mcm (140) ✔ 12 104 1 0.0 0.001 0.196 (0;000) ✗ 22/03/17
Bi2(PbS2)3 COD 9009250 Cmcm (63) ✔ 22 216 3 0.0 0.110 0.151 (0;000) ✗ 07/08/17
Zr7As4 ICSD 611614 C2/m (12) ✔ 22 96 3 0.0 0.008 0.833 (0;001) ✗ 07/08/17
CoSI COD 9016371 F-43m (216) ✗ 3 30 1 0.0 0.001 0.251 ? ✗ 04/08/17
BaFe2Se3 COD 1504314 Pnma (62) ✔ 24 176 1 0.0 0.003 0.354 (1;000) ✗ 04/08/17
Y3MnAu5 COD 4119195 R-3 (148) ✔ 18 206 3 0.0 0.021 0.624 (1;111) ✗ 21/03/17
Rb2Zn5As4 COD 4330270 Cmcm (63) ✔ 22 196 3 0.0 0.444 0.066 (0;000) ✗ 07/08/17
RePCl9 COD 2002164 P-1 (2) ✔ 22 166 1 0.0 0.030 0.028 (0;000) ✗ 07/08/17
CaPPt ICSD 60826 Pmc2_1 (26) ✗ 12 100 3 0.0 0.011 0.164 (0;000) ✔ 26/04/17
HfSbRh ICSD 53036 F-43m (216) ✗ 3 34 3 0.0 0.059 0.484 ? ✗ 15/02/17
Y2Si3Rh ICSD 650353 P6_3/mmc (194) ✔ 24 204 3 0.0 0.006 0.464 (1;000) ✗ 04/08/17
In2Se ICSD 44646 Pnnm (58) ✔ 24 256 3 0.0 0.003 0.830 (1;000) ✗ 04/08/17
Na3FeF6 COD 1530372 P2_1 (4) ✗ 20 154 1 0.0 0.000 0.753 ? ✗ 22/03/17
HfAu4 ICSD 611961 Pnma (62) ✔ 20 224 3 0.0 0.024 0.763 (1;000) ✗ 21/03/17
Ti3O5 COD 1527090 C2/m (12) ✔ 16 132 3 0.0 0.007 0.552 (1;111) ✗ 29/03/17
Na3N ICSD 165991 Pnma (62) ✔ 16 128 1 0.0 0.009 0.031 (1;000) ✗ 02/02/17
SrZnSb2 COD 7221192 Pnma (62) ✔ 16 128 1 0.0 0.045 0.030 (1;000) ✗ 02/02/17
Rb2MnTe2 ICSD 65460 Ibam (72) ✔ 10 90 1 0.0 0.000 0.275 (0;000) ✗ 02/02/17
LiTiO2 ICSD 48128 Fd-3m (227) ✔ 16 108 3 0.0 0.008 0.631 (1;111) ✗ 29/03/17
Te ICSD 87272 P2_1 (4) ✗ 4 24 3 0.0 0.115 0.587 ? ✗ 15/02/17
Te2Br COD 1527657 Pnma (62) ✔ 24 152 1 0.0 0.462 0.060 (0;000) ✗ 04/08/17
TaTe5Pt ICSD 71292 Cmcm (63) ✔ 14 106 2 0.0 0.000 0.917 (0;110) ✗ 02/02/17
Nb3Al2C ICSD 606237 P4_132 (213) ✗ 24 196 3 0.0 0.000 0.354 ? ✗ 04/08/17
NaMn3V4O12 ICSD 237751 Im3 (204) ✔ 20 178 3 0.0 0.005 0.116 (1;111) ✗ 29/03/17
TiMn2 COD 1523418 P6_3/mmc (194) ✔ 12 168 3 0.0 0.003 0.823 (0;000) ✗ 29/03/17
NbSeI COD 1008284 F-43m (216) ✗ 12 104 3 0.0 0.000 0.183 (1;000) ✔ 26/04/17
Al9Fe2 ICSD 607498 P2_1/c (14) ✔ 22 86 3 0.0 0.000 0.748 (1;010) ✗ 04/08/17
Nb3RhSe6 ICSD 645284 P6_322 (182) ✗ 20 184 3 0.0 0.013 0.229 ? ✗ 04/08/17
RbFeCl4 COD 4030154 Pnma (62) ✔ 24 180 1 0.0 0.000 0.746 (1;011) ✗ 04/08/17
KMnF4 COD 1006039 P2_1/c (14) ✔ 24 208 1 0.0 0.013 0.220 (0;000) ✗ 04/08/17
FeS2O9 COD 9013790 P-1 (2) ✔ 12 74 2 0.0 0.041 0.500 (1;000) ✗ 04/08/17
Mg3Au COD 1510235 P-3c1 (165) ✔ 24 246 3 0.0 0.000 0.737 (1;000) ✗ 04/08/17
YMn4(CuO4)3 COD 1008220 Im3 (204) ✔ 20 176 3 0.0 0.000 0.657 (0;000) ✗ 22/03/17
Y11In9Ni4 ICSD 167637 Cmmm (65) ✔ 24 278 3 0.0 0.008 0.922 (0;001) ✗ 04/08/17
Nb3P ICSD 626510 I-4 (82) ✗ 16 176 3 0.0 0.005 0.557 ? ✗ 29/03/17
MoPO5 COD 4000897 Cc (9) ✗ 14 98 3 0.0 0.000 0.629 ? ✗ 15/02/17
ZnBi COD 7221256 P6_3mc (186) ✗ 4 54 3 0.0 0.000 0.710 ? ✗ 15/02/17
TaSbO4 COD 1011144 Pnna (52) ✔ 24 168 3 0.0 0.009 1.000 (1;000) ✗ 04/08/17
Cr(B3H8)2 COD 4112987 P-1 (2) ✔ 23 48 1 0.0 0.033 0.041 (0;000) ✗ 04/08/17
Na2WO4 COD 2240656 Fd-3m (227) ✔ 14 112 1 0.0 0.120 1.000 (1;111) ✗ 29/03/17
CaMg2Ni9 ICSD 54520 R-3m (166) ✔ 12 120 3 0.0 0.001 0.669 (1;000) ✗ 22/03/17
Na2CoGeO4 ICSD 23425 Pmn2_1 (31) ✗ 16 126 3 0.0 0.000 0.791 ? ✗ 22/03/17
B2W COD 1510852 P6_3/mmc (194) ✔ 12 136 3 0.0 0.043 0.756 (0;000) ✗ 11/04/17
AlPt2 ICSD 459 Pmma (51) ✔ 24 184 3 0.0 0.011 0.337 (1;110) ✗ 04/08/17
Na2RuO3 COD 1532912 C2/c (15) ✔ 24 208 3 0.0 0.023 0.366 (0;000) ✗ 04/08/17
NaClO3 COD 1010485 P2_13 (198) ✗ 20 136 1 0.0 0.000 0.122 (1;000) ✔ 11/04/17
Sc2CrC3 ICSD 39202 Pbam (55) ✔ 24 192 3 0.0 0.001 0.685 (0;000) ✗ 04/08/17
Sr3Sc2Fe2As2O5 ICSD 260450 I4/mmm (139) ✔ 14 108 1 0.0 0.014 0.435 (0;000) ✗ 21/03/17
RbCrI3 COD 1528243 C2 (5) ✗ 20 176 2 0.0 0.001 0.604 ? ✗ 22/03/17
Sr2(ZnAu2)3 ICSD 426464 R-3c (167) ✔ 22 244 3 0.0 0.003 0.587 (1;000) ✗ 07/08/17
Nb3Al2N ICSD 60644 P4_132 (213) ✗ 24 200 3 0.0 0.000 0.427 ? ✗ 04/08/17
Y3FeB7 COD 1511672 Cmcm (63) ✔ 22 124 3 0.0 0.016 0.527 (0;110) ✗ 04/08/17
MnTl(VS2)4 ICSD 643478 C2/m (12) ✔ 14 128 3 0.0 0.010 0.553 (0;111) ✗ 29/03/17
TeWBr9 ICSD 410948 P2_1/m (11) ✔ 22 194 1 0.0 0.000 0.629 (1;011) ✗ 07/08/17
Ca5Au4 COD 1510534 P2_1/c (14) ✔ 18 188 3 0.0 0.032 0.321 (1;001) ✗ 21/03/17
Co2Mo3N COD 1532001 P4_132 (213) ✗ 24 324 3 0.0 0.000 0.583 ? ✗ 04/08/17
ZrSiMo ICSD 644448 Pnma (62) ✔ 12 88 3 0.0 0.011 0.382 (0;000) ✗ 02/02/17
MnCoSb ICSD 157563 Fm-3m (225) ✔ 24 296 3 0.0 0.000 0.727 (1;000) ✗ 04/08/17
AgIO2 COD 5910025 I4_1/a (88) ✔ 16 120 3 0.0 0.016 0.429 (1;111) ✗ 16/03/17
Zr3(Si3Cu2)2 ICSD 629244 I4/mmm (139) ✔ 13 80 3 0.0 0.000 0.843 (1;110) ✗ 22/03/17
GePt2 ICSD 637640 P-62m (189) ✗ 9 72 3 0.0 0.000 0.334 (0;000) ✔ 11/04/17
LiCdP ICSD 52813 F-43m (216) ✗ 3 20 3 0.0 0.062 0.188 (0;000) ✔ 15/02/17
Cs4Fe2S5 COD 4341950 P-1 (2) ✔ 22 164 1 0.0 0.011 0.439 (0;101) ✗ 08/08/17
Li2Ta3N5 ICSD 40568 C2/m (12) ✔ 20 140 3 0.0 0.029 0.624 (0;000) ✗ 29/03/17
Y3Co ICSD 192246 P2_12_12_1 (19) ✗ 16 200 3 0.0 0.003 0.301 (0;000) ✔ 26/04/17
Sr3Pt2 ICSD 649707 R-3 (148) ✔ 15 150 2 0.0 0.054 0.669 (0;000) ✗ 02/02/17
Y2InPd2 ICSD 658303 P4/mbm (127) ✔ 10 142 3 0.0 0.000 0.900 (1;000) ✗ 02/02/17
NiPSe3 ICSD 646145 C2/m (12) ✔ 10 66 2 0.0 0.021 0.226 (0;000) ✗ 02/02/17
MnTlI3 ICSD 26421 Pnma (62) ✔ 20 196 2 0.0 0.000 0.258 (0;011) ✗ 29/03/17
CsMnP3HO10 ICSD 51089 C2 (5) ✗ 16 100 3 0.0 0.036 0.803 ? ✗ 22/03/17
Ga COD 9012484 I-43d (220) ✗ 6 78 3 0.0 0.000 0.972 ? ✗ 15/02/17
CaSiPt ICSD 63555 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.533 ? ✗ 22/03/17
NbO3 COD 9015165 Im3 (204) ✔ 16 124 3 0.0 0.002 0.701 (0;111) ✗ 02/02/17
Na2MnO4 ICSD 39504 P6_3mc (186) ✗ 14 114 1 0.0 0.000 0.654 ? ✗ 29/03/17
TiS2 ICSD 72042 Fd-3m (227) ✔ 12 96 3 0.0 0.006 0.081 (0;000) ✗ 02/02/17
PdSe2 COD 4310736 Pbca (61) ✔ 12 120 3 0.0 0.571 0.028 (0;000) ✗ 02/02/17
Nb3InTe4 ICSD 640060 P6_3/m (176) ✔ 16 152 3 0.0 0.001 0.869 (0;000) ✗ 02/02/17
PdS2 COD 2310589 Pbca (61) ✔ 12 120 2 0.0 0.960 0.076 (0;000) ✗ 02/02/17
BaSr(FeO2)4 ICSD 2536 P-6m2 (187) ✗ 14 100 3 0.0 0.000 0.839 ? ✗ 21/03/17
Co(TePd)2 ICSD 416514 Ibam (72) ✔ 10 130 3 0.0 0.000 0.447 (1;001) ✗ 22/03/17
Sc2MnSe4 ICSD 74407 Fd-3m (227) ✔ 14 122 3 0.0 0.000 0.795 (0;000) ✗ 02/02/17
Zr3O COD 1521833 P6_322 (182) ✗ 8 36 3 0.0 0.002 0.355 (1;000) ✔ 15/03/17
Bi3S3O2 COD 4119563 I4/mmm (139) ✔ 16 150 1 0.0 0.029 0.128 (0;000) ✗ 11/04/17
RbFeF4 ICSD 85500 P2_12_12 (18) ✗ 24 180 1 0.0 0.004 0.465 ? ✗ 04/08/17
FeWClO4 ICSD 80798 P4/nmm (129) ✔ 14 134 3 0.0 0.000 0.627 (0;000) ✗ 11/04/17
Pd7Se4 ICSD 90788 P2_12_12 (18) ✗ 22 300 3 0.0 0.003 0.528 ? ✗ 07/08/17
YO3 ICSD 23011 Pnma (62) ✔ 16 116 3 0.0 0.000 0.566 (1;110) ✗ 02/02/17
TaN COD 9008876 P6_3mc (186) ✗ 4 36 3 0.0 0.000 0.460 ? ✗ 15/02/17
Tl5Te3 ICSD 40260 I4/mcm (140) ✔ 16 166 3 0.0 0.000 0.538 (0;000) ✗ 02/02/17
Ba2TlCuHgO5 ICSD 86200 I4mm (107) ✗ 10 86 3 0.0 0.000 0.592 ? ✗ 15/02/17
CsGa2Au3 COD 4329714 Pnma (62) ✔ 24 272 3 0.0 0.031 0.373 (1;000) ✗ 04/08/17
Ca4Si3Pd4 ICSD 74358 C2/c (15) ✔ 22 248 3 0.0 0.019 0.382 (0;000) ✗ 08/08/17
Hf5Ga3 COD 1523286 P6_3/mcm (193) ✔ 16 198 3 0.0 0.000 0.932 (1;000) ✗ 02/02/17
V2Cu3Sb4 ICSD 236572 P6_3/mmc (194) ✔ 18 158 3 0.0 0.000 0.941 (1;000) ✗ 02/02/17
CdGeAs2 ICSD 16736 I-42d (122) ✗ 8 52 3 0.0 0.051 0.027 (1;000) ✔ 15/02/17
Y7Rh3 ICSD 650528 P6_3mc (186) ✗ 20 256 3 0.0 0.000 0.293 ? ✗ 07/08/17
Ni(BW)2 ICSD 615069 Immm (71) ✔ 5 72 3 0.0 0.116 0.039 (1;000) ✗ 11/04/17
FeSi(CuSe2)2 ICSD 627368 I-42m (121) ✗ 8 58 3 0.0 0.002 0.633 ? ✗ 15/02/17
NaCu5S3 ICSD 61514 P6_322 (182) ✗ 18 164 3 0.0 0.000 0.127 ? ✗ 04/08/17
Ag(AuF4)2 COD 1509209 P2_1/c (14) ✔ 22 178 3 0.0 0.000 0.470 (0;101) ✗ 04/08/17
Mn2Al3 ICSD 608469 P4_132 (213) ✗ 20 156 3 0.0 0.000 0.376 ? ✗ 04/08/17
MnSiRh ICSD 643419 Pnma (62) ✔ 12 144 3 0.0 0.004 0.316 (0;000) ✗ 29/03/17
YB4W ICSD 615702 Pbam (55) ✔ 24 204 3 0.0 0.253 0.037 (0;000) ✗ 04/08/17
CuWO4 COD 4000807 P2/c (13) ✔ 12 126 3 0.0 0.000 0.602 (0;000) ✗ 11/04/17
Al3Mo COD 1522870 Cm (8) ✗ 16 92 3 0.0 0.020 0.210 ? ✗ 04/08/17
MgZn5 ICSD 151403 C2/m (12) ✔ 24 280 3 0.0 0.007 0.634 (0;110) ✗ 04/08/17
K6MnSe4 ICSD 65450 P6_3mc (186) ✗ 22 186 1 0.0 0.000 0.544 ? ✗ 07/08/17
Ca4Ni4Ge3 ICSD 421432 Cmcm (63) ✔ 22 184 3 0.0 0.001 0.887 (1;000) ✗ 07/08/17
ZnS ICSD 107137 P3m1 (156) ✗ 24 216 2 0.0 0.013 0.490 ? ✗ 04/08/17
ZrTe3 ICSD 86764 P2_1/m (11) ✔ 8 44 2 0.0 0.050 0.531 (0;000) ✗ 02/02/17
NiSe2 COD 9012537 Pa3 (205) ✔ 12 88 3 0.0 0.033 0.440 (1;000) ✗ 02/02/17
Ti2(FeGe)3 ICSD 53479 Ima2 (46) ✗ 16 120 3 0.0 0.010 0.543 ? ✗ 22/03/17
YCo3 COD 2310314 R-3m (166) ✔ 12 186 3 0.0 0.000 0.799 (1;000) ✗ 22/03/17
Ta3Ge ICSD 637967 I-4 (82) ✗ 16 172 3 0.0 0.024 0.284 ? ✗ 04/08/17
BaMnO4 COD 5910329 Pnma (62) ✔ 24 196 1 0.0 0.000 0.451 (1;011) ✗ 04/08/17
Fe2O2F5 COD 9015576 Imma (74) ✔ 18 126 3 0.0 0.000 0.452 (1;001) ✗ 02/02/17
YFe3 ICSD 634092 P6_3/mmc (194) ✔ 24 210 3 0.0 0.000 0.830 (1;000) ✗ 04/08/17
Cs4Fe2O5 ICSD 174317 C2/c (15) ✔ 22 164 3 0.0 0.003 0.205 (0;000) ✗ 07/08/17
Rb4Fe2S5 ICSD 425071 P-1 (2) ✔ 22 164 1 0.0 0.013 0.100 (0;101) ✗ 04/08/17
TiCoP ICSD 624646 Pnma (62) ✔ 12 136 3 0.0 0.022 0.099 (1;000) ✗ 22/03/17
Al(NF2)3 COD 9014698 F-43m (216) ✗ 10 60 1 0.0 0.000 0.714 ? ✗ 15/02/17
Cs2NaFeF6 ICSD 16255 R-3m (166) ✔ 20 154 1 0.0 0.001 0.149 (1;111) ✗ 22/03/17
CsIO3 COD 1010900 Pm-3m (221) ✔ 5 34 3 0.0 0.003 0.715 (0;000) ✗ 22/03/17
NiB4O7 ICSD 391407 Cmcm (63) ✔ 24 128 3 0.0 0.009 0.312 (0;000) ✗ 04/08/17
YGaI ICSD 417149 P-3m1 (164) ✔ 6 62 2 0.0 0.781 0.317 (0;000) ✗ 22/03/17
NbCo2 ICSD 624286 P6_3/mmc (194) ✔ 24 376 3 0.0 0.004 0.809 (1;000) ✗ 04/08/17
Ni(C2N3)2 ICSD 85617 Pnnm (58) ✔ 22 112 3 0.0 0.004 0.267 (0;000) ✗ 04/08/17
AlP2 ICSD 28672 Ia3 (206) ✔ 24 104 3 0.0 0.001 0.662 (1;000) ✗ 04/08/17
V4GeSe8 ICSD 50503 F-43m (216) ✗ 13 104 3 0.0 0.010 0.181 (0;000) ✔ 28/03/17
MgMn2O4 COD 1528844 I4_1/amd (141) ✔ 14 128 3 0.0 0.002 0.310 (1;111) ✗ 29/03/17
K4MnBr6 ICSD 42442 R-3c (167) ✔ 22 186 1 0.0 0.000 0.201 (0;000) ✗ 07/08/17
KClO4 COD 1010611 Pnma (62) ✔ 24 160 1 0.0 0.022 0.014 (0;000) ✗ 04/08/17
MoF5 ICSD 26644 C2/m (12) ✔ 24 196 2 0.0 0.021 0.270 (0;000) ✗ 04/08/17
Fe4C ICSD 44729 P-43m (215) ✗ 5 36 3 0.0 0.000 0.826 ? ✗ 15/02/17
V4O7 COD 1008025 P-1 (2) ✔ 22 188 3 0.0 0.014 0.425 (0;011) ✗ 07/08/17
TlFeBr4 ICSD 402064 Pnna (52) ✔ 24 196 1 0.0 0.001 0.518 (1;000) ✗ 04/08/17
NbTe4Ir ICSD 656451 Pmn2_1 (31) ✗ 24 216 2 0.0 0.002 0.162 ? ✗ 04/08/17
Rb9O2 COD 1528075 P2_1/m (11) ✔ 22 186 1 0.0 0.000 0.830 (1;010) ✗ 07/08/17
Mn(C2N3)2 COD 1526680 Pnnm (58) ✔ 22 122 3 0.0 0.000 0.729 (0;000) ✗ 04/08/17
K2SnBr6 COD 1010449 P42_12 (90) ✗ 18 148 3 0.0 0.005 0.146 ? ✗ 04/08/17
Y4C7 ICSD 86049 P2_1/c (14) ✔ 22 144 3 0.0 0.012 0.192 (1;010) ✗ 04/08/17
Zn3Ru COD 7007706 I4/mmm (139) ✔ 8 104 3 0.0 0.006 0.707 (0;111) ✗ 29/03/17
BW ICSD 615689 Cmcm (63) ✔ 4 62 3 0.0 0.000 0.723 (0;110) ✗ 11/04/17
CsZn4As3 ICSD 262030 P4/mmm (123) ✔ 8 72 2 0.0 0.040 0.073 (0;001) ✗ 07/04/17
Ta2InCuTe4 ICSD 161365 I-42m (121) ✗ 8 74 3 0.0 0.000 0.709 ? ✗ 22/03/17
Li2RuO3 ICSD 78721 C2/c (15) ✔ 24 160 3 0.0 0.008 0.292 (1;000) ✗ 04/08/17
Ca7Ni4Sn13 COD 1528162 P4/m (83) ✔ 24 292 3 0.0 0.003 0.911 (1;110) ✗ 04/08/17
Mg3Hg COD 1523435 R32 (155) ✗ 24 252 3 0.0 0.002 0.649 ? ✗ 04/08/17
Cd3Au COD 1510082 P6_3cm (185) ✗ 24 282 3 0.0 0.000 0.689 ? ✗ 04/08/17
Fe7W6 ICSD 634060 R-3m (166) ✔ 13 224 3 0.0 0.007 0.581 (1;000) ✗ 11/04/17
VO2 ICSD 34419 F222 (22) ✗ 24 200 3 0.0 0.004 0.748 ? ✗ 04/08/17
SO2 COD 7103014 P3_221 (154) ✗ 9 54 3 0.0 0.013 0.317 (1;100) ✔ 15/02/17
LiBPt3 COD 1511220 P-62m (189) ✗ 15 108 3 0.0 0.000 0.810 ? ✗ 21/03/17
Zr3Sb ICSD 651786 I-4 (82) ✗ 16 68 3 0.0 0.010 0.462 ? ✗ 29/03/17
Ag2Se COD 1509714 P222_1 (17) ✗ 12 112 3 0.0 0.007 0.173 ? ✗ 04/08/17
MgPd3 ICSD 150228 I4/mmm (139) ✔ 8 128 3 0.0 0.006 0.682 (1;000) ✗ 29/03/17
LiTi2O4 ICSD 180011 C2/m (12) ✔ 14 102 3 0.0 0.003 0.478 (1;001) ✗ 29/03/17
Ge3W5 ICSD 638119 I4/mcm (140) ✔ 16 304 3 0.0 0.006 0.673 (1;000) ✗ 11/04/17
Mg2Ni COD 1008171 P6_222 (180) ✗ 18 180 3 0.0 0.000 0.686 ? ✗ 29/03/17
V5SiB2 COD 1510833 I4/mcm (140) ✔ 16 150 3 0.0 0.001 0.686 (1;100) ✗ 21/03/17
MnGeN2 ICSD 23528 Pna2_1 (33) ✗ 16 116 3 0.0 0.001 0.427 ? ✗ 15/02/17
YZnPd ICSD 183334 Pnma (62) ✔ 12 164 3 0.0 0.002 0.947 (0;011) ✗ 02/02/17
KYH4C4O9 ICSD 109947 P1 (1) ✗ 19 94 3 0.0 0.025 0.247 (0;000) ✔ 21/03/17
CrSbPt ICSD 626558 P2_13 (198) ✗ 12 116 3 0.0 0.000 0.335 ? ✗ 04/08/17
Si3W5 ICSD 73331 I4/mcm (140) ✔ 16 304 3 0.0 0.005 0.690 (1;000) ✗ 11/04/17
CdClO COD 9016472 P6_3mc (186) ✗ 6 50 2 0.0 0.000 0.749 ? ✗ 15/02/17
GeTe ICSD 56604 Pbcn (60) ✔ 16 80 3 0.0 0.017 0.270 (1;000) ✗ 02/02/17
K3W2 COD 1527780 C2/c (15) ✔ 10 166 1 0.0 0.000 0.693 (0;011) ✗ 11/04/17
MnBiS2Cl ICSD 172156 Pnma (62) ✔ 20 196 3 0.0 0.000 0.355 (1;011) ✗ 21/03/17
Fe(BW)2 COD 1510686 P4/mbm (127) ✔ 10 140 3 0.0 0.012 0.601 (1;000) ✗ 11/04/17
Ni(BW)3 ICSD 615070 Cmcm (63) ✔ 14 206 3 0.0 0.000 0.737 (0;110) ✗ 11/04/17
BaYFeCuO5 ICSD 71355 P4mm (99) ✗ 9 70 3 0.0 0.001 0.784 ? ✗ 15/02/17
FeBW ICSD 614256 Pnma (62) ✔ 12 156 3 0.0 0.001 0.589 (0;011) ✗ 11/04/17
YGePd ICSD 391466 Imm2 (44) ✗ 18 198 3 0.0 0.001 0.958 ? ✗ 22/03/17
Pb2OF2 ICSD 76964 P-4m2 (115) ✗ 20 192 3 0.0 0.003 0.052 (0;000) ✔ 22/03/17
Tl4O3 ICSD 23478 P2_1/m (11) ✔ 14 140 2 0.0 0.104 0.781 (0;000) ✗ 29/03/17
WCl3 ICSD 109512 R-3 (148) ✔ 24 294 2 0.0 0.001 0.624 (0;000) ✗ 04/08/17
Li2AgBi COD 1509236 F-43m (216) ✗ 4 32 3 0.0 0.000 0.210 (0;000) ✔ 15/02/17
MgAgSb ICSD 187149 F-43m (216) ✗ 3 26 3 0.0 0.000 0.283 (1;000) ✔ 15/02/17
K3Mn2F7 ICSD 33525 I4/mmm (139) ✔ 12 106 2 0.0 0.014 0.728 (0;000) ✗ 22/03/17
B3Rh7 ICSD 615290 P6_3mc (186) ✗ 20 256 3 0.0 0.000 0.793 ? ✗ 21/03/17
Ta3CrS6 ICSD 626633 P6_322 (182) ✗ 20 178 3 0.0 0.001 0.670 ? ✗ 22/03/17
Ni3(BO3)2 COD 9011451 Pnnm (58) ✔ 22 144 3 0.0 0.005 0.412 (1;000) ✗ 04/08/17
BaNb6O17 COD 9015043 Immm (71) ✔ 24 190 2 0.0 0.012 0.670 (1;111) ✗ 04/08/17
Ti3O ICSD 36055 P312 (149) ✗ 24 252 3 0.0 0.003 0.681 ? ✗ 04/08/17
Ti2Cu3 COD 1525232 P4/nmm (129) ✔ 10 114 3 0.0 0.000 0.864 (1;001) ✗ 22/03/17
V3Ga ICSD 635634 Pm-3n (223) ✔ 8 104 3 0.0 0.000 0.820 (1;111) ✗ 22/03/17
TiS COD 9015328 R-3m (166) ✔ 6 54 3 0.0 0.005 0.828 (1;111) ✗ 29/03/17
NClO4 COD 9015836 F-43m (216) ✗ 6 36 1 0.0 0.003 0.207 (0;000) ✔ 15/02/17
In3S4 ICSD 640361 Fd-3m (227) ✔ 14 126 3 0.0 0.000 0.961 (0;000) ✗ 02/02/17
ScAgSn COD 4307156 P-62m (189) ✗ 9 108 3 0.0 0.000 0.237 (0;000) ✔ 13/04/17
Tl2Te3 ICSD 26282 Cc (9) ✗ 10 88 3 0.0 0.015 1.000 ? ✗ 29/03/17
Sc3As2 COD 1528350 Pnma (62) ✔ 20 172 3 0.0 0.000 0.912 (1;011) ✗ 21/03/17
TlV3(CrS4)2 ICSD 74296 C2/m (12) ✔ 14 128 3 0.0 0.006 0.759 (1;000) ✗ 22/03/17
MnGaNi2 ICSD 160323 C2/m (12) ✔ 20 240 3 0.0 0.001 0.804 (1;001) ✗ 22/03/17
TcO2 COD 4124108 P2_1/c (14) ✔ 12 108 3 0.0 0.019 1.000 (0;000) ✗ 29/03/17
V2GaSn2 COD 9007790 Cmce (64) ✔ 20 268 3 0.0 0.011 0.208 (1;110) ✗ 22/03/17
Cu2SnHgTe4 ICSD 656158 I-42m (121) ✗ 8 72 3 0.0 0.009 0.048 (1;000) ✔ 22/03/17
Ag3PSe4 COD 1510029 Pmn2_1 (31) ✗ 16 124 3 0.0 0.028 0.178 ? ✗ 04/08/17
Rb2Cd5As4 COD 2018984 Cmcm (63) ✔ 22 196 3 0.0 0.026 0.013 (1;000) ✗ 07/08/17
Ca3Ga8 ICSD 108796 Immm (71) ✔ 11 134 3 0.0 0.009 0.784 (1;000) ✗ 21/03/17
Co2Si3 ICSD 625021 P-4c2 (116) ✗ 20 184 3 0.0 0.001 0.547 ? ✗ 22/03/17
LiAl ICSD 262064 Cmce (64) ✔ 24 72 2 0.0 0.004 0.581 (0;000) ✗ 04/08/17
Y4Ni13C4 ICSD 618594 Cmmm (65) ✔ 21 190 3 0.0 0.002 0.460 (1;110) ✗ 07/08/17
NbZn2 COD 2310258 P6_3/mmc (194) ✔ 24 296 3 0.0 0.003 0.456 (0;000) ✗ 04/08/17
Tl2(CdSb)3 ICSD 76500 C2/m (12) ✔ 16 154 3 0.0 0.146 0.038 (0;000) ✗ 22/03/17
Te4Pt3 ICSD 41372 R-3m (166) ✔ 7 54 3 0.0 0.033 0.760 (0;111) ✗ 29/03/17
Sc2B4Os5 ICSD 603725 P2/m (10) ✔ 22 228 3 0.0 0.025 0.775 (1;000) ✗ 07/08/17
SiO2 COD 4124071 P1 (1) ✗ 24 128 3 0.0 0.030 0.780 ? ✗ 04/08/17
MnSeO4 ICSD 25698 Pnma (62) ✔ 24 180 3 0.0 0.000 0.546 (0;101) ✗ 04/08/17
FeNi2(CN)6 COD 1010373 F-43m (216) ✗ 15 82 3 0.0 0.000 0.502 ? ✗ 21/03/17
Sr3Fe2Cu2S2O5 ICSD 84961 I4/mmm (139) ✔ 14 110 1 0.0 0.001 0.956 (0;000) ✗ 22/03/17
CsCrI3 ICSD 23382 Pbcn (60) ✔ 20 176 1 0.0 0.008 0.457 (0;000) ✗ 22/03/17
Ag7NO6 COD 1509961 F-43m (216) ✗ 14 118 3 0.0 0.000 0.580 ? ✗ 16/03/17
HfSiOs ICSD 638752 Ima2 (46) ✗ 18 192 3 0.0 0.039 0.607 ? ✗ 29/03/17
MnSbPt ICSD 643377 F-43m (216) ✗ 3 30 3 0.0 0.107 0.816 ? ✗ 15/02/17
NClO4 COD 9016196 Pnma (62) ✔ 24 144 1 0.0 0.002 0.332 (0;000) ✗ 04/08/17
Fe2CuS3 COD 9000065 Pnma (62) ✔ 24 180 3 0.0 0.000 0.457 (1;110) ✗ 04/08/17
TiCr2 COD 1525360 P6_3/mmc (194) ✔ 24 320 3 0.0 0.002 0.951 (1;000) ✗ 04/08/17
B2OsW2 ICSD 615145 Pnnm (58) ✔ 20 312 3 0.0 0.004 0.815 (1;110) ✗ 11/04/17
HgI2 ICSD 95272 P-4m2 (115) ✗ 12 104 3 0.0 0.005 0.318 (1;111) ✔ 29/03/17
Ta6Fe7 ICSD 633791 R-3m (166) ✔ 13 134 3 0.0 0.002 0.546 (1;000) ✗ 22/03/17
K(MoSe)3 ICSD 604517 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.294 (0;000) ✗ 24/04/17
SiO2 ICSD 154321 P2_1 (4) ✗ 12 64 1 0.0 0.002 0.694 ? ✗ 29/03/17
H6OF4 ICSD 32569 P-1 (2) ✔ 22 80 1 0.0 0.009 0.628 (1;000) ✗ 04/08/17
Fe2AgS3 COD 9013697 P2_1/c (14) ✔ 24 180 3 0.0 0.034 0.198 (1;000) ✗ 04/08/17
Cu2ClO3 COD 9004404 P2_1/c (14) ✔ 24 188 3 0.0 0.004 0.717 (1;010) ✗ 04/08/17
Te2Au COD 1011091 Pma2 (28) ✗ 24 184 3 0.0 0.002 0.593 ? ✗ 04/08/17
ZnHg3(SCl2)2 ICSD 420783 P6_3mc (186) ✗ 20 176 2 0.0 0.095 0.073 (0;000) ✔ 11/04/17
Li2TlAu COD 1510222 F-43m (216) ✗ 4 30 3 0.0 0.034 0.834 ? ✗ 15/02/17
TiNiSn ICSD 657175 F-43m (216) ✗ 3 36 3 0.0 0.029 0.249 (0;000) ✔ 15/02/17
Mn3As2 ICSD 75510 C2/m (12) ✔ 10 110 3 0.0 0.006 0.766 (1;000) ✗ 21/03/17
Sc3P2 ICSD 41679 Pnma (62) ✔ 20 172 3 0.0 0.000 0.772 (0;011) ✗ 29/03/17
NiSeO3 ICSD 190004 Pnma (62) ✔ 20 136 3 0.0 0.003 0.066 (0;000) ✗ 02/02/17
Zr(MnSn)6 ICSD 54928 P6/mmm (191) ✔ 13 178 3 0.0 0.001 0.647 (0;001) ✗ 02/02/17
CoO ICSD 43458 P6_3mc (186) ✗ 4 46 3 0.0 0.000 0.929 ? ✗ 15/02/17
Y6GaCo2 ICSD 601010 Immm (71) ✔ 18 226 3 0.0 0.003 0.386 (0;111) ✗ 22/03/17
Sc2C3 ICSD 77396 I-43d (220) ✗ 20 136 3 0.0 0.005 0.276 (0;000) ✔ 15/03/17
VP2O7 ICSD 39762 C2/c (15) ✔ 20 130 3 0.0 0.000 0.285 (1;011) ✗ 02/02/17
Li2MnSiO4 ICSD 161305 Pmn2_1 (31) ✗ 16 98 2 0.0 0.000 0.795 ? ✗ 15/02/17
CrHO2 COD 9015340 Pmn2_1 (31) ✗ 8 54 3 0.0 0.000 0.917 ? ✗ 15/02/17
MnTlCl3 ICSD 32712 Pnma (62) ✔ 20 196 1 0.0 0.001 0.161 (0;011) ✗ 22/03/17
K(TeMo)3 ICSD 603671 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.307 (0;000) ✗ 24/04/17
Ca5Au2 COD 1510371 C2/c (15) ✔ 14 144 1 0.0 0.033 0.673 (0;110) ✗ 21/03/17
ZrGaPt ICSD 152132 P-62c (190) ✗ 18 162 3 0.0 0.000 0.418 ? ✗ 22/03/17
Rb2LiFeF6 ICSD 16400 R-3m (166) ✔ 20 142 1 0.0 0.021 0.178 (0;000) ✗ 22/03/17
Ti2CrO5 COD 2002414 C2/c (15) ✔ 16 136 3 0.0 0.004 0.425 (0;000) ✗ 22/03/17
Ba2Ti2Fe2As4O ICSD 263018 I4/mmm (139) ✔ 11 86 1 0.0 0.008 0.714 (0;111) ✗ 21/03/17
KNiAu3(CN)6 ICSD 249724 P312 (149) ✗ 17 106 3 0.0 0.000 0.677 ? ✗ 21/03/17
Cs2CoO3 ICSD 6154 Cmce (64) ✔ 24 212 1 0.0 0.001 0.560 (0;000) ✗ 04/08/17
CrAg(PS3)2 COD 1000192 P2/c (13) ✔ 20 142 2 0.0 0.000 0.260 (0;000) ✗ 16/03/17
K2MnF6 ICSD 60417 P6_3mc (186) ✗ 18 150 1 0.0 0.000 0.805 ? ✗ 22/03/17
Zr5Sb4 ICSD 153609 P6_3/mcm (193) ✔ 18 80 3 0.0 0.006 0.733 (0;000) ✗ 02/02/17
YVB4 ICSD 615679 Pbam (55) ✔ 24 144 3 0.0 0.010 0.208 (1;000) ✗ 04/08/17
Zr3W5 ICSD 653434 I4/mcm (140) ✔ 16 304 3 0.0 0.000 0.548 (1;000) ✗ 11/04/17
Ge4Te7As2 ICSD 68114 R-3m (166) ✔ 13 68 2 0.0 0.020 0.022 (1;000) ✗ 21/03/17
KCr3S5 ICSD 604340 C2/m (12) ✔ 18 162 3 0.0 0.002 0.704 (1;110) ✗ 22/03/17
CoGe ICSD 623422 P2_13 (198) ✗ 8 84 3 0.0 0.000 0.232 (1;110) ✔ 15/02/17
LiVPO4F ICSD 184601 P-1 (2) ✔ 16 104 3 0.0 0.004 0.701 (0;000) ✗ 22/03/17
CaSnAu COD 2019618 Imm2 (44) ✗ 6 70 3 0.0 0.035 0.553 ? ✗ 15/02/17
B4W ICSD 615683 P4/mbm (127) ✔ 20 160 3 0.0 0.005 0.388 (1;000) ✗ 11/04/17
ZrAu4 COD 1510544 Pnma (62) ✔ 20 192 3 0.0 0.026 0.766 (1;000) ✗ 21/03/17
Bi2Pd3S2 ICSD 417634 I2_13 (199) ✗ 14 192 3 0.0 0.000 0.820 ? ✗ 21/03/17
Zr5NiPb3 ICSD 604200 P6_3/mcm (193) ✔ 18 144 3 0.0 0.002 0.824 (0;000) ✗ 02/02/17
ScSnPt ICSD 411822 P-62c (190) ✗ 18 210 3 0.0 0.000 0.554 ? ✗ 29/03/17
ZrRe2 ICSD 650212 P6_3/mmc (194) ✔ 12 136 3 0.0 0.006 0.789 (0;000) ✗ 02/02/17
YSiRu ICSD 88063 Pnma (62) ✔ 12 124 3 0.0 0.000 0.738 (0;011) ✗ 02/02/17
Li2Ni(WO4)2 ICSD 92853 P-1 (2) ✔ 13 92 3 0.0 0.055 1.000 (0;001) ✗ 29/03/17
MnNb3O6 COD 1519036 Immm (71) ✔ 20 180 3 0.0 0.007 0.314 (0;000) ✗ 29/03/17
Ca3Fe2Cl2O5 ICSD 69873 I4/mmm (139) ✔ 12 90 1 0.0 0.002 0.778 (0;000) ✗ 21/03/17
CaCd2Pd ICSD 425509 Pnma (62) ✔ 16 208 3 0.0 0.005 0.653 (0;000) ✗ 21/03/17
Ca2MnGaO5 ICSD 51466 Ima2 (46) ✗ 18 156 3 0.0 0.003 0.785 ? ✗ 21/03/17
FeSi(CuS2)2 ICSD 627355 Pmn2_1 (31) ✗ 16 116 3 0.0 0.000 0.507 ? ✗ 22/03/17
PbWO4 COD 1527935 I4_1/a (88) ✔ 12 132 2 0.0 0.010 0.310 (1;111) ✗ 11/04/17
Ti3O5 COD 4512563 C2/c (15) ✔ 16 132 3 0.0 0.005 0.399 (1;000) ✗ 29/03/17
MnCo(BiO3)2 ICSD 153856 C2 (5) ✗ 20 196 3 0.0 0.001 0.519 ? ✗ 21/03/17
Sc2MnB2Rh5 ICSD 51436 P4/mbm (127) ✔ 20 256 3 0.0 0.001 0.687 (1;001) ✗ 21/03/17
Hf3Sb ICSD 638878 I-4 (82) ✗ 16 164 3 0.0 0.046 0.486 ? ✗ 29/03/17
V4GeS8 ICSD 50502 F-43m (216) ✗ 13 104 3 0.0 0.000 0.188 (0;000) ✔ 26/04/17
Pd4Se ICSD 23864 P-42_1c (114) ✗ 10 156 3 0.0 0.002 0.320 ? ✗ 04/08/17
TiSiOs ICSD 647795 Ima2 (46) ✗ 18 192 3 0.0 0.036 0.576 ? ✗ 29/03/17
Ba2P3Pd ICSD 75019 P2_1/c (14) ✔ 24 212 1 0.0 0.016 0.369 (1;000) ✗ 04/08/17
Cs2LiMnO4 ICSD 72361 Cmc2_1 (36) ✗ 16 120 1 0.0 0.002 0.018 (1;001) ✔ 26/04/17
LiCdAs ICSD 609965 F-43m (216) ✗ 3 20 3 0.0 0.000 0.009 (1;000) ✔ 15/02/17
Na2Ni3P2(HO5)2 ICSD 425698 C2/m (12) ✔ 19 120 2 0.0 0.016 0.199 (0;000) ✗ 28/03/17
Pb3Au COD 1510273 I-42m (121) ✗ 16 212 3 0.0 0.003 0.810 ? ✗ 21/03/17
Sc5Si3 ICSD 23932 P6_3/mcm (193) ✔ 16 134 3 0.0 0.000 0.677 (1;000) ✗ 02/02/17
Al4CN3O COD 8100308 Cmc2_1 (36) ✗ 18 74 3 0.0 0.000 0.704 ? ✗ 21/03/17
Hf3As2 ICSD 610637 Pnma (62) ✔ 20 184 3 0.0 0.010 0.418 (1;000) ✗ 21/03/17
CrI2 ICSD 4073 C2/m (12) ✔ 3 28 2 0.0 0.048 0.337 (0;000) ✗ 22/03/17
Ni3(BiS)2 COD 1525608 C2/m (12) ✔ 14 144 3 0.0 0.030 0.821 (1;111) ✗ 04/08/17
ZrZnNi4 COD 1523279 F-43m (216) ✗ 6 56 3 0.0 0.000 0.408 ? ✗ 15/02/17
VH6(OF)3 ICSD 69571 R3m (160) ✗ 13 58 1 0.0 0.000 0.289 (0;000) ✔ 15/02/17
CaCd2Cu9 ICSD 424134 P4/mbm (127) ✔ 24 266 3 0.0 0.000 0.906 (0;111) ✗ 04/08/17
TcP3 ICSD 35200 Pnma (62) ✔ 16 120 2 0.0 0.026 1.000 (1;000) ✗ 29/03/17
Sr4In2N ICSD 62536 I4_1/amd (141) ✔ 14 142 1 0.0 0.000 0.891 (1;111) ✗ 29/03/17
Bi2PdO4 COD 2002219 I4cm (108) ✗ 14 144 3 0.0 0.002 0.167 (0;000) ✔ 13/04/17
FeMo3S4 COD 2106467 P-1 (2) ✔ 16 148 3 0.0 0.018 0.308 (0;001) ✗ 02/02/17
Cs2Co3S4 ICSD 65256 Ibam (72) ✔ 18 186 2 0.0 0.000 0.931 (1;110) ✗ 22/03/17
Ca5Au3 COD 1510483 I4/mcm (140) ✔ 16 166 1 0.0 0.000 0.606 (0;111) ✗ 21/03/17
FeWO4 COD 9000223 P2/c (13) ✔ 12 120 3 0.0 0.055 0.027 (0;000) ✗ 11/04/17
Sr3V2O7 ICSD 71320 I4/mmm (139) ✔ 12 98 2 0.0 0.010 0.766 (0;000) ✗ 29/03/17
Si3Rh5 ICSD 43338 Pbam (55) ✔ 16 194 3 0.0 0.000 0.908 (1;100) ✗ 02/02/17
LiMnVF6 ICSD 167073 P4_2nm (102) ✗ 18 146 3 0.0 0.000 0.631 ? ✗ 22/03/17
RbTe ICSD 73179 P-62m (189) ✗ 12 90 1 0.0 0.463 0.249 (0;000) ✔ 11/04/17
Cs3Sn4Au ICSD 107446 Pmmn (59) ✔ 16 188 1 0.0 0.005 0.410 (0;000) ✗ 21/03/17
ScSn2 ICSD 106965 I4_1/amd (141) ✔ 12 156 3 0.0 0.007 0.811 (1;111) ✗ 29/03/17
Rb4O3 COD 9014100 I-43d (220) ✗ 14 108 1 0.0 0.000 0.570 ? ✗ 29/03/17
NaFeF4 COD 1527271 P2_1/c (14) ✔ 24 180 2 0.0 0.003 0.391 (0;000) ✗ 04/08/17
TlBS2 COD 4027829 R-3m (166) ✔ 24 168 2 0.0 0.038 1.000 (1;011) ✗ 04/08/17
LiSn ICSD 107516 I4_1/amd (141) ✔ 12 102 3 0.0 0.000 0.856 (1;111) ✗ 29/03/17
Ba2MnSe3 ICSD 26230 Pnma (62) ✔ 24 212 1 0.0 0.000 0.902 (0;101) ✗ 04/08/17
MnF2 COD 1528224 P-42m (111) ✗ 12 116 3 0.0 0.001 0.621 ? ✗ 15/02/17
Sr2Sb COD 9008353 I4/mmm (139) ✔ 6 50 1 0.0 0.013 0.055 (0;111) ✗ 02/02/17
TlSe COD 9008952 I4/mcm (140) ✔ 8 76 1 0.0 0.367 0.043 (0;000) ✗ 02/02/17
FeAg2SnS4 COD 1008963 I-42m (121) ✗ 8 68 3 0.0 0.010 0.290 (1;111) ✔ 16/03/17
Cr2(CN2)3 ICSD 421391 R-3c (167) ✔ 22 140 3 0.0 0.013 0.197 (0;000) ✗ 07/08/17
TiSnSb COD 1532679 Fddd (70) ✔ 12 124 3 0.0 0.001 0.667 (1;111) ✗ 02/02/17
NbS3 ICSD 645316 P2_1/m (11) ✔ 24 186 3 0.0 0.000 0.961 (1;001) ✗ 04/08/17
Y3Pd4 ICSD 649109 R-3 (148) ✔ 14 210 3 0.0 0.001 0.587 (1;111) ✗ 02/02/17
GePd2 ICSD 637541 P-62m (189) ✗ 9 120 3 0.0 0.000 0.358 (0;000) ✔ 26/04/17
OsPbO3 ICSD 23444 Fd-3m (227) ✔ 20 192 3 0.0 0.000 0.752 (0;000) ✗ 02/02/17
Li ICSD 109012 I-43d (220) ✗ 8 24 1 0.0 0.000 0.448 ? ✗ 15/02/17
Sc2VB2Ir5 ICSD 85630 P4/mbm (127) ✔ 20 252 3 0.0 0.006 0.899 (1;001) ✗ 21/03/17
CaMnO3 ICSD 92083 Pnma (62) ✔ 20 172 3 0.0 0.001 0.550 (0;110) ✗ 22/03/17
CaMgNi4 ICSD 107419 F-43m (216) ✗ 6 60 3 0.0 0.002 0.744 ? ✗ 15/02/17
Y3Si3Rh ICSD 52079 C2/m (12) ✔ 14 124 3 0.0 0.002 0.528 (1;000) ✗ 02/02/17
Sb2Te3 ICSD 185954 C2/c (15) ✔ 10 56 3 0.0 0.036 0.559 (1;110) ✗ 02/02/17
Ca6MnN5 ICSD 80184 P6_3/mcm (193) ✔ 24 200 1 0.0 0.000 0.605 (1;000) ✗ 04/08/17
K3Rh ICSD 20327 P-3m1 (164) ✔ 4 44 1 0.0 0.000 0.580 (1;000) ✗ 02/02/17
CdCu2GeTe4 ICSD 656154 I-42m (121) ✗ 8 62 3 0.0 0.009 0.129 (1;000) ✔ 22/03/17
HfSn COD 2310242 P2_13 (198) ✗ 8 104 3 0.0 0.000 0.464 ? ✗ 15/02/17
ScMn2 ICSD 643551 P6_3/mmc (194) ✔ 12 164 3 0.0 0.001 0.747 (1;000) ✗ 29/03/17
ZrCr2 ICSD 108159 P6_3/mmc (194) ✔ 24 256 3 0.0 0.002 0.932 (1;000) ✗ 04/08/17
PW6Cl17 ICSD 422270 Imm2 (44) ✗ 24 292 2 0.0 0.003 0.428 ? ✗ 04/08/17
HfSnRh ICSD 107474 P-62c (190) ✗ 18 258 3 0.0 0.000 0.493 ? ✗ 29/03/17
ZnCu2GeTe4 ICSD 656153 I-42m (121) ✗ 8 62 3 0.0 0.016 0.181 (1;000) ✔ 22/03/17
BaMnO3 ICSD 24130 P6_3/mmc (194) ✔ 20 172 3 0.0 0.002 0.513 (0;000) ✗ 21/03/17
Y2SnAu2 ICSD 130047 P4_2/mnm (136) ✔ 20 232 3 0.0 0.013 0.477 (0;000) ✗ 21/03/17
NbCr2 ICSD 626382 P6_3/mmc (194) ✔ 12 164 3 0.0 0.003 0.623 (0;000) ✗ 22/03/17
Sc3P2 ICSD 41678 Pnma (62) ✔ 20 172 3 0.0 0.000 0.778 (0;011) ✗ 29/03/17
Li2BPd3 COD 1511224 P4_332 (212) ✗ 24 252 3 0.0 0.000 0.557 ? ✗ 04/08/17
Sc2Te3 COD 9008008 Fddd (70) ✔ 20 160 3 0.0 0.006 0.217 (1;111) ✗ 29/03/17
AlNCl4 COD 9014852 Pnma (62) ✔ 24 144 1 0.0 0.003 0.198 (0;000) ✗ 04/08/17
Ta ICSD 54207 P4/mbm (127) ✔ 4 52 1 0.0 0.000 0.998 (1;001) ✗ 29/03/17
Ca3Mn2O7 COD 1533328 I4/mmm (139) ✔ 12 102 3 0.0 0.007 0.968 (0;000) ✗ 21/03/17
MgPt ICSD 109237 P2_13 (198) ✗ 8 80 3 0.0 0.032 0.308 (1;000) ✔ 29/03/17
NiBiSe ICSD 616878 P2_13 (198) ✗ 12 124 3 0.0 0.000 0.635 ? ✗ 21/03/17
Y7Pt3 ICSD 649860 P6_3mc (186) ✗ 20 214 3 0.0 0.000 0.521 ? ✗ 29/03/17
Na2CdPb COD 7221226 F-43m (216) ✗ 4 44 3 0.0 0.000 0.323 (1;000) ✔ 15/02/17
Li6CoO4 ICSD 62688 P4_2/nmc (137) ✔ 22 118 3 0.0 0.000 0.950 (1;000) ✗ 04/08/17
Sc3As2 ICSD 611359 Pnma (62) ✔ 20 172 3 0.0 0.000 0.773 (0;011) ✗ 21/03/17
Rb3Mn2Br7 ICSD 32544 I4/mmm (139) ✔ 12 106 2 0.0 0.001 0.861 (0;000) ✗ 21/03/17
Ga2CuCl8 COD 1530952 P2_1/c (14) ✔ 22 186 2 0.0 0.000 0.665 (0;010) ✗ 04/08/17
Zr3Al3C5 ICSD 606293 P6_3/mmc (194) ✔ 22 82 3 0.0 0.000 0.994 (1;000) ✗ 04/08/17
LiSb3O8 COD 7117434 P2_1/c (14) ✔ 24 132 3 0.0 1.308 1.000 (0;000) ✗ 04/08/17
LiFeSiO4 ICSD 186517 Pc (7) ✗ 14 78 2 0.0 0.000 0.905 ? ✗ 15/02/17
BaPPt ICSD 59191 P2_13 (198) ✗ 12 100 3 0.0 0.000 0.430 ? ✗ 21/03/17
Ga5Pd COD 1522867 I4/mcm (140) ✔ 12 166 3 0.0 0.001 0.517 (1;000) ✗ 02/02/17
Tl4SnTe3 COD 1523050 I4/mcm (140) ✔ 16 168 3 0.0 0.057 0.193 (0;000) ✗ 02/02/17
Ag5IO6 COD 1509923 R-3c (167) ✔ 24 196 3 0.0 0.007 0.096 (0;000) ✗ 04/08/17
RbFeF4 COD 1525545 Pbcm (57) ✔ 24 180 1 0.0 0.000 0.225 (0;100) ✗ 04/08/17
TiAs2 ICSD 611500 Pnnm (58) ✔ 24 176 3 0.0 0.017 0.183 (0;000) ✗ 04/08/17
Sr4Bi3 ICSD 96944 I-43d (220) ✗ 14 170 1 0.0 0.000 0.579 ? ✗ 21/03/17
Mg3Si2O9 COD 9004509 P31m (157) ✗ 14 92 2 0.0 0.000 0.785 ? ✗ 15/02/17
Sr3Fe2O7 ICSD 163173 I4/mmm (139) ✔ 12 88 2 0.0 0.008 0.952 (0;000) ✗ 22/03/17
Li2SnGe ICSD 636906 F-43m (216) ✗ 4 24 3 0.0 0.087 0.335 (0;000) ✔ 15/02/17
Hf2Ga3 COD 1522706 Fdd2 (43) ✗ 10 126 3 0.0 0.000 0.895 ? ✗ 15/02/17
Rh4Pb5 COD 1522492 Fmmm (69) ✔ 18 276 3 0.0 0.013 0.687 (0;101) ✗ 29/03/17
CoPO4 COD 1529153 Pnma (62) ✔ 24 184 3 0.0 0.061 0.041 (0;000) ✗ 04/08/17
Li4TeO5 COD 1530934 P-1 (2) ✔ 20 96 3 0.0 0.023 0.455 (0;000) ✗ 29/03/17
Ta3VS6 ICSD 651111 P6_322 (182) ✗ 20 176 3 0.0 0.000 0.509 ? ✗ 29/03/17
ZnSb2 COD 9015418 P-4n2 (118) ✗ 6 44 3 0.0 0.012 0.273 (0;011) ✔ 29/03/17
W3O10 COD 9014468 Fmm2 (42) ✗ 13 144 3 0.0 0.002 0.261 (0;010) ✔ 24/04/17
SiO2 COD 4124068 C2/c (15) ✔ 24 128 3 0.0 0.007 0.258 (1;000) ✗ 04/08/17
SrMoO2 COD 5910131 I4_1/a (88) ✔ 16 144 3 0.0 0.002 0.348 (1;111) ✗ 29/03/17
ZrI2 ICSD 35145 R-3 (148) ✔ 18 108 3 0.0 0.070 0.147 (0;000) ✗ 02/02/17
Li4SiPt3 ICSD 186537 R32 (155) ✗ 16 92 3 0.0 0.008 0.538 ? ✗ 29/03/17
VFeSb ICSD 152794 F-43m (216) ✗ 3 26 3 0.0 0.312 0.218 (0;000) ✔ 15/02/17
K(SnAu)3 COD 4304502 Pmmn (59) ✔ 14 168 3 0.0 0.005 0.647 (1;000) ✗ 21/03/17
KBH4 ICSD 160986 Pnma (62) ✔ 24 64 3 0.0 0.007 0.354 (1;000) ✗ 04/08/17
AsPd2 COD 9012381 Cmc2_1 (36) ✗ 12 164 3 0.0 0.001 0.213 ? ✗ 07/08/17
Ca2GePd2 COD 4002144 Fdd2 (43) ✗ 10 120 3 0.0 0.051 0.309 (0;000) ✔ 11/04/17
AlSeCl7 COD 2106066 P1 (1) ✗ 18 116 1 0.0 0.028 0.737 ? ✗ 16/03/17
Sr3Fe2(ClO2)2 ICSD 174532 I4/mmm (139) ✔ 11 84 1 0.0 0.003 0.804 (0;000) ✗ 22/03/17
Mn5C2 ICSD 69535 C2/c (15) ✔ 14 166 3 0.0 0.000 0.859 (0;011) ✗ 21/03/17
Cu2SnHgSe4 ICSD 627936 I-42m (121) ✗ 8 72 3 0.0 0.003 0.004 (1;000) ✔ 15/03/17
LiMnO2 COD 1513963 I4_1/amd (141) ✔ 16 120 3 0.0 0.001 0.726 (1;111) ✗ 29/03/17
LiYF2 COD 2001129 I4_1/a (88) ✔ 16 112 3 0.0 0.010 0.659 (1;111) ✗ 22/03/17
Ti4Ga3Ni2 COD 1522448 P-62m (189) ✗ 18 214 3 0.0 0.000 0.895 ? ✗ 22/03/17
Tl2SnHgTe4 COD 4000660 I-42m (121) ✗ 8 76 3 0.0 0.159 0.086 (0;000) ✔ 29/03/17
AsH3 COD 1010133 P4_232 (208) ✗ 16 32 1 0.0 0.001 0.567 ? ✗ 21/03/17
LiInGe ICSD 53650 F-43m (216) ✗ 3 20 3 0.0 0.000 0.042 (1;000) ✔ 15/02/17
TiV4Si3 ICSD 652443 I4/mcm (140) ✔ 16 152 3 0.0 0.000 0.655 (1;000) ✗ 29/03/17
Ir3W COD 1523682 P6_3/mmc (194) ✔ 8 158 3 0.0 0.000 0.976 (1;000) ✗ 11/04/17
Ca ICSD 162254 P4_12_12 (92) ✗ 8 80 3 0.0 0.001 0.772 ? ✗ 15/02/17
Cr5Si3 COD 1527284 I4/mcm (140) ✔ 16 164 3 0.0 0.003 0.582 (0;000) ✗ 22/03/17
Ba(TlHg)2 COD 4104570 P4_2/mnm (136) ✔ 20 240 3 0.0 0.002 0.730 (1;000) ✗ 21/03/17
Sn4Pt COD 1522862 Ccce (68) ✔ 10 132 3 0.0 0.032 0.303 (0;000) ✗ 02/02/17
Cs2In3 COD 1525490 I-4m2 (119) ✗ 10 114 2 0.0 0.112 0.037 (0;000) ✔ 22/03/17
Sb2Pd COD 9012347 Pa3 (205) ✔ 12 112 3 0.0 0.006 0.371 (1;000) ✗ 02/02/17
SrOsO3 ICSD 237731 Pnma (62) ✔ 20 176 3 0.0 0.009 0.549 (0;000) ✗ 02/02/17
TcH4NO4 ICSD 10429 I4_1/a (88) ✔ 20 96 1 0.0 0.735 1.000 (1;111) ✗ 29/03/17
KCd4P3 COD 4326069 R-3m (166) ✔ 8 72 2 0.0 0.000 0.019 (1;000) ✗ 22/03/17
BaSi2 ICSD 2218 P4_332 (212) ✗ 12 72 3 0.0 0.008 0.016 (0;000) ✔ 13/04/17
Te2WCl6 ICSD 66023 P-1 (2) ✔ 18 164 1 0.0 0.001 0.380 (0;000) ✗ 11/04/17
CrReO4 COD 1528741 C2/m (12) ✔ 12 106 3 0.0 0.026 0.770 (0;111) ✗ 22/03/17
Re7B3 ICSD 615236 P6_3mc (186) ✗ 20 228 3 0.0 0.000 0.785 ? ✗ 21/03/17
Ca2PdWO6 ICSD 83259 Pmm2 (25) ✗ 20 176 3 0.0 0.000 1.000 ? ✗ 21/03/17
Li7IN2 COD 1528849 Fd-3m (227) ✔ 20 76 3 0.0 0.006 0.914 (0;000) ✗ 02/02/17
Li2FeGeS4 ICSD 425762 Pc (7) ✗ 16 84 3 0.0 0.017 0.457 ? ✗ 22/03/17
Nb3NiSe6 ICSD 645098 P6_322 (182) ✗ 20 170 3 0.0 0.000 0.856 ? ✗ 29/03/17
NbReSi ICSD 600059 Ima2 (46) ✗ 18 192 3 0.0 0.002 0.533 ? ✗ 29/03/17
Y3Ge5 ICSD 20612 Fdd2 (43) ✗ 16 106 3 0.0 0.000 0.778 ? ✗ 22/03/17
KAlSiO6 COD 9009725 P6_3 (173) ✗ 18 104 3 0.0 0.041 0.008 (0;000) ✔ 15/02/17
V3Ga2 ICSD 635637 P4_132 (213) ✗ 20 260 3 0.0 0.000 0.564 ? ✗ 22/03/17
NO2 COD 1010516 I2_13 (199) ✗ 18 102 3 0.0 0.000 0.859 ? ✗ 29/03/17
FeSeCl7 ICSD 39529 P1 (1) ✗ 18 126 1 0.0 0.004 0.516 ? ✗ 22/03/17
Ti7Al2O15 COD 1530641 C2/m (12) ✔ 24 180 3 0.0 0.003 0.655 (0;001) ✗ 04/08/17
Hf3Al3C5 ICSD 161587 P6_3/mmc (194) ✔ 22 130 3 0.0 0.000 0.997 (1;000) ✗ 04/08/17
Bi10Mo3 COD 2104405 C2/m (12) ✔ 13 192 1 0.0 0.007 0.526 (1;000) ✗ 21/03/17
NaFeO2 ICSD 186309 Pna2_1 (33) ✗ 16 116 3 0.0 0.000 0.554 ? ✗ 22/03/17
Mn5SiB2 ICSD 614772 I4/mcm (140) ✔ 16 170 3 0.0 0.000 0.865 (1;000) ✗ 21/03/17
Mn6Si7 ICSD 643625 R-3m (166) ✔ 13 118 3 0.0 0.000 0.548 (1;000) ✗ 29/03/17
Zr5Sn3S ICSD 656296 P6_3/mcm (193) ✔ 18 136 3 0.0 0.004 0.229 (0;000) ✗ 02/02/17
CsVF4 ICSD 167354 Pmmn (59) ✔ 24 200 2 0.0 0.002 0.402 (0;000) ✗ 04/08/17
YSnPd ICSD 424012 Pnma (62) ✔ 12 172 3 0.0 0.002 0.722 (0;011) ✗ 29/03/17
RbLiCrO4 ICSD 72549 P31c (159) ✗ 14 100 1 0.0 0.022 0.177 (0;000) ✔ 22/03/17
Y3AlNi8 ICSD 608946 P6_3/mmc (194) ✔ 24 232 3 0.0 0.002 0.768 (1;000) ✗ 04/08/17
Na2MnP2O7F3 ICSD 424943 P1 (1) ✗ 15 106 1 0.0 0.012 0.059 (1;100) ✔ 11/04/17
TaNiTe5 ICSD 73314 Cmcm (63) ✔ 14 106 2 0.0 0.000 0.918 (0;110) ✗ 02/02/17
ZnAg2GeO4 ICSD 81328 Pc (7) ✗ 16 124 3 0.0 0.152 0.012 (0;000) ✔ 26/04/17
Ba2In2O5 COD 1522063 Ima2 (46) ✗ 18 152 3 0.0 0.007 0.243 (0;111) ✔ 26/04/17
In(TeMo)3 ICSD 640025 P6_3/m (176) ✔ 14 146 3 0.0 0.000 0.527 (1;000) ✗ 24/04/17
Co(BW)3 COD 1510898 Cmcm (63) ✔ 14 220 3 0.0 0.011 0.418 (0;110) ✗ 11/04/17
YMnB4 ICSD 614788 Pbam (55) ✔ 24 152 3 0.0 0.012 0.469 (1;000) ✗ 04/08/17
Y4InIr ICSD 418567 F-43m (216) ✗ 24 296 3 0.0 0.015 0.421 ? ✗ 04/08/17
Ta2Te3 ICSD 41047 C2/m (12) ✔ 10 88 3 0.0 0.027 0.380 (0;111) ✗ 02/02/17
Mg2Pb ICSD 642744 Pnma (62) ✔ 12 136 3 0.0 0.031 0.506 (1;000) ✗ 02/02/17
Fe2C COD 9014589 Pnma (62) ✔ 24 160 3 0.0 0.010 0.343 (0;000) ✗ 04/08/17
SrZn ICSD 652893 Pnma (62) ✔ 8 88 1 0.0 0.008 0.518 (1;000) ✗ 02/02/17
Ba3CrS5 COD 1533192 P6_3cm (185) ✗ 18 148 1 0.0 0.000 0.838 ? ✗ 21/03/17
Tl5Te3 ICSD 604388 I-4 (82) ✗ 16 166 3 0.0 0.009 1.000 ? ✗ 10/04/17
HfSiRu ICSD 638840 Ima2 (46) ✗ 18 192 3 0.0 0.025 0.625 ? ✗ 29/03/17
TaCo3 ICSD 24581 R-3m (166) ✔ 12 192 3 0.0 0.007 0.944 (1;111) ✗ 22/03/17
Sr2Cu2Ni(SO)2 ICSD 88424 I4/mmm (139) ✔ 9 76 1 0.0 0.022 0.476 (1;000) ✗ 22/03/17
Fe(CuS)2 COD 9003727 F-43m (216) ✗ 20 168 3 0.0 0.000 0.813 ? ✗ 22/03/17
Sr5Tl3 ICSD 652883 I4/mcm (140) ✔ 16 178 1 0.0 0.002 0.707 (1;111) ✗ 02/02/17
SiO2 ICSD 77681 P6_222 (180) ✗ 9 48 3 0.0 0.010 0.422 ? ✗ 15/02/17
Y3Co2 COD 2106563 Pnnm (58) ✔ 20 268 3 0.0 0.001 0.808 (1;101) ✗ 22/03/17
CaAsPt ICSD 60828 I4_1md (109) ✗ 18 150 3 0.0 0.000 0.945 ? ✗ 11/04/17
LiV(SiO3)2 COD 9008443 C2/c (15) ✔ 20 120 3 0.0 0.008 0.185 (1;000) ✗ 02/02/17
Mn3SiIr ICSD 151749 P2_13 (198) ✗ 20 264 3 0.0 0.001 0.472 ? ✗ 29/03/17
YCrB4 COD 1511723 Pbam (55) ✔ 24 148 3 0.0 0.209 0.208 (0;000) ✗ 04/08/17
K(MoS)3 ICSD 641249 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.286 (0;000) ✗ 24/04/17
K2(CuTe)5 ICSD 71204 Cmcm (63) ✔ 24 206 1 0.0 0.000 0.992 (1;000) ✗ 04/08/17
SrAg COD 2105352 Pnma (62) ✔ 16 168 1 0.0 0.002 0.669 (0;000) ✗ 16/03/17
ZnSnSb2 ICSD 651588 I-42d (122) ✗ 8 72 3 0.0 0.008 0.020 (1;000) ✔ 29/03/17
K2RbMn2F7 ICSD 410707 I4/mmm (139) ✔ 12 106 2 0.0 0.013 0.728 (0;000) ✗ 22/03/17
NbSe2 COD 2310534 P-6m2 (187) ✗ 12 100 1 0.0 0.000 0.950 ? ✗ 29/03/17
Ba(InAu)2 COD 4308151 Pnma (62) ✔ 20 232 3 0.0 0.006 0.938 (0;000) ✗ 21/03/17
Tl2CdSnTe4 COD 4000658 I-42m (121) ✗ 8 76 3 0.0 0.255 0.021 (0;000) ✔ 22/03/17
ScSnPd ICSD 418976 P-62c (190) ✗ 18 258 3 0.0 0.000 0.486 ? ✗ 29/03/17
CuClF10 COD 1529596 P2_1/c (14) ✔ 24 176 2 0.0 0.002 0.108 (0;000) ✗ 04/08/17
HfGa COD 1522450 Pbcm (57) ✔ 24 300 3 0.0 0.000 0.699 (1;000) ✗ 04/08/17
Fe(BW)2 ICSD 614261 Immm (71) ✔ 5 70 3 0.0 0.045 0.291 (1;000) ✗ 11/04/17
Sc2Pt COD 2106085 Pnma (62) ✔ 12 128 3 0.0 0.015 0.299 (0;000) ✗ 02/02/17
Tl(TeMo)3 COD 1521172 P6_3/m (176) ✔ 14 146 3 0.0 0.000 0.290 (0;000) ✗ 02/02/17
LiFe6Ge5 COD 7221260 C2/m (12) ✔ 24 142 3 0.0 0.005 0.844 (0;001) ✗ 04/08/17
Zn5Co2 ICSD 240090 C2/m (12) ✔ 14 188 3 0.0 0.011 0.371 (0;111) ✗ 22/03/17
CrWO4 ICSD 36213 F222 (22) ✗ 24 264 3 0.0 0.000 0.694 ? ✗ 04/08/17
Na(TeMo)3 ICSD 604501 P6_3/m (176) ✔ 14 138 3 0.0 0.000 0.308 (0;000) ✗ 24/04/17
Te2Rh ICSD 650452 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.732 (1;111) ✗ 02/02/17
PbWO2 COD 5910060 I4_1/a (88) ✔ 16 160 3 0.0 0.057 0.623 (1;111) ✗ 29/03/17
Mn5B2P ICSD 109111 I4/mcm (140) ✔ 16 172 3 0.0 0.001 0.755 (1;111) ✗ 21/03/17
BaFeCuF7 COD 1000216 Cc (9) ✗ 20 156 3 0.0 0.009 0.016 (0;000) ✔ 21/03/17
Co3SiW2 ICSD 625123 P6_3/mmc (194) ✔ 12 222 3 0.0 0.000 0.794 (0;000) ✗ 11/04/17
Ta6S ICSD 202564 P-1 (2) ✔ 14 168 3 0.0 0.020 0.355 (1;100) ✗ 02/02/17
MnCu2GeS4 ICSD 415453 Pmn2_1 (31) ✗ 16 130 3 0.0 0.000 0.813 ? ✗ 22/03/17
RbP(HO2)2 ICSD 54873 Fdd2 (43) ✗ 16 80 3 0.0 0.006 0.019 (1;000) ✔ 28/03/17
Li3As ICSD 610785 P-3c1 (165) ✔ 24 84 1 0.0 0.021 0.028 (0;000) ✗ 04/08/17
RbZn4As3 ICSD 262038 P4/mmm (123) ✔ 8 72 2 0.0 0.021 0.003 (0;001) ✗ 07/04/17
Al5V2Ge5 COD 7102714 Cmcm (63) ✔ 24 122 3 0.0 0.000 0.921 (0;000) ✗ 04/08/17
Te2Au COD 9011456 Pc (7) ✗ 12 92 3 0.0 0.134 0.109 (0;000) ✔ 26/04/17
TiS3 ICSD 81124 R3m (160) ✗ 4 30 1 0.0 0.000 0.227 (0;000) ✔ 11/04/17
CsFeF4 ICSD 6043 P4/nmm (129) ✔ 24 180 1 0.0 0.001 0.659 (0;001) ✗ 04/08/17
TaSe3 ICSD 651959 P2_1/m (11) ✔ 24 186 3 0.0 0.000 0.964 (1;010) ✗ 04/08/17
ReSe2 ICSD 650091 P-6m2 (187) ✗ 12 108 1 0.0 0.000 0.801 ? ✗ 29/03/17
Rb3Mn2Cl7 ICSD 30081 I4/mmm (139) ✔ 12 106 2 0.0 0.006 0.842 (0;000) ✗ 22/03/17
Tl(FeTe)3 COD 1524707 P6_3/m (176) ✔ 14 110 3 0.0 0.000 0.815 (1;000) ✗ 02/02/17
Ti2FeO5 COD 2002318 Cmcm (63) ✔ 16 124 3 0.0 0.006 0.214 (1;000) ✗ 22/03/17
Na5MnO4 ICSD 47101 Pmn2_1 (31) ✗ 20 168 1 0.0 0.009 0.285 (1;001) ✔ 11/04/17
TiNi ICSD 150627 P-1 (2) ✔ 12 132 3 0.0 0.012 0.909 (1;001) ✗ 29/03/17
Tl2CdGeTe4 COD 4000657 I-42m (121) ✗ 8 66 3 0.0 0.139 0.086 (0;000) ✔ 22/03/17
Bi4Te2Br2O9 ICSD 79508 Pmm2 (25) ✗ 17 140 1 0.0 0.086 0.192 (0;000) ✔ 26/04/17
Ba2FeSe3 ICSD 615861 Pnma (62) ✔ 24 184 1 0.0 0.003 0.935 (1;000) ✗ 04/08/17
W2C ICSD 619097 P-3m1 (164) ✔ 3 60 3 0.0 0.098 0.530 (0;000) ✗ 11/04/17
Ta2O7 COD 9014281 Fd-3m (227) ✔ 18 136 3 0.0 0.000 0.488 (0;000) ✗ 02/02/17
YO2 COD 1528091 P2_1/c (14) ✔ 12 92 3 0.0 0.003 0.446 (0;010) ✗ 02/02/17
Zr9Ni11 COD 1523714 I4/m (87) ✔ 20 146 3 0.0 0.002 0.507 (0;111) ✗ 29/03/17
Li2MoF6 COD 2101133 P4_22_12 (94) ✗ 18 124 1 0.0 0.004 0.142 (0;000) ✔ 11/04/17
MnWO4 COD 9013910 P2/c (13) ✔ 12 134 3 0.0 0.000 0.730 (1;100) ✗ 11/04/17
Y5Tl3 ICSD 653334 P6_3/mcm (193) ✔ 16 188 3 0.0 0.005 0.456 (0;000) ✗ 02/02/17
YB4Rh ICSD 419358 Pbam (55) ✔ 24 160 3 0.0 0.021 0.343 (1;000) ✗ 04/08/17
SrSO4 ICSD 100624 Pnma (62) ✔ 24 160 2 0.0 0.003 0.307 (1;000) ✗ 04/08/17
HfCr2 ICSD 626144 P6_3/mmc (194) ✔ 24 320 3 0.0 0.002 0.970 (1;000) ✗ 04/08/17
Ca2Fe9O13 COD 1524840 C2/m (12) ✔ 24 170 3 0.0 0.006 0.586 (1;111) ✗ 04/08/17
TaFeTe3 COD 2002027 P2_1 (4) ✗ 10 78 3 0.0 0.001 0.821 ? ✗ 22/03/17
Rb3Na(WO4)2 ICSD 191959 P-3m1 (164) ✔ 14 112 1 0.0 0.000 1.000 (1;000) ✗ 29/03/17
BaAsPt ICSD 59192 P2_13 (198) ✗ 12 100 3 0.0 0.000 0.396 (0;111) ✔ 26/04/17
ScFeB4 ICSD 614180 Pbam (55) ✔ 24 124 3 0.0 0.003 0.524 (0;000) ✗ 04/08/17
AlBW COD 4343329 Cmcm (63) ✔ 6 68 3 0.0 0.097 0.225 (1;110) ✗ 11/04/17
Sr8In4Cu3N5 ICSD 96350 Immm (71) ✔ 20 190 1 0.0 0.058 0.628 (0;000) ✗ 22/03/17
Sn4Ir ICSD 412573 I4_1/acd (142) ✔ 20 292 3 0.0 0.003 0.491 (1;111) ✗ 29/03/17
VP2O7 COD 1530205 I-42d (122) ✗ 20 130 3 0.0 0.000 0.889 ? ✗ 29/03/17
CsGa3 COD 1525535 I-4m2 (119) ✗ 12 144 3 0.0 0.104 0.100 (0;000) ✔ 26/04/17
MnPO4 COD 1529150 Pnma (62) ✔ 24 176 3 0.0 0.001 0.506 (0;000) ✗ 04/08/17
Mo3Pt2N ICSD 150314 P4_132 (213) ✗ 24 268 3 0.0 0.000 0.464 ? ✗ 04/08/17
Na4FeO3 COD 1527544 Cc (9) ✗ 16 124 3 0.0 0.002 0.154 (0;000) ✔ 22/03/17
Zr3Ir COD 2020030 I-42m (121) ✗ 16 116 3 0.0 0.005 0.664 ? ✗ 29/03/17
Ni(AuF4)2 COD 1510404 P2_1/c (14) ✔ 22 176 3 0.0 0.022 0.147 (0;000) ✗ 04/08/17
Cs4KLiFe2F12 ICSD 78928 R-3m (166) ✔ 20 148 1 0.0021 0.004 0.000 (0;111) ✗ 22/03/17
CdCu2GeSe4 ICSD 95235 I-42m (121) ✗ 8 62 3 0.0024 0.003 0.000 (1;000) ✔ 15/02/17
CuCl3O2 COD 2310504 P2_1/c (14) ✔ 24 176 1 0.006 0.082 1.000 (0;000) ✗ 04/08/17
BaNaBi ICSD 413810 P-62m (189) ✗ 9 72 1 0.0066 0.007 0.000 (1;000) ✔ 06/10/16
CdCu2SnTe4 ICSD 656157 I-42m (121) ✗ 8 72 3 0.0068 0.021 0.000 (1;000) ✔ 22/03/17
CrHgF6 COD 1525284 R-3 (148) ✔ 8 68 3 0.0069 0.033 0.000 (0;000) ✗ 27/01/17
Cu2SnHgS4 ICSD 627929 I-42m (121) ✗ 8 72 3 0.0081 0.008 0.000 (0;000) ✔ 22/03/17
Ca2MnReO6 ICSD 247998 P2_1/c (14) ✔ 20 172 3 0.009 0.021 0.000 (1;010) ✗ 02/02/17
CuI COD 9013921 R-3m (166) ✔ 4 36 3 0.01 0.010 0.000 (1;000) ✗ 22/03/17
SrZnSbF ICSD 189935 P4/nmm (129) ✔ 8 68 1 0.0103 0.016 0.000 (0;000) ✗ 27/01/17
Na3MnF6 COD 4322721 P2_1/c (14) ✔ 20 168 1 0.0114 0.032 0.000 (0;000) ✗ 02/02/17
Ag2Te2O7 ICSD 416281 Imma (74) ✔ 22 152 3 0.0117 0.024 0.000 (0;000) ✗ 07/08/17
SnBi4Te7 ICSD 236253 P-3m1 (164) ✔ 12 116 3 0.0129 0.135 0.000 (1;001) ✗ 02/02/17
Cs2NaMnF6 ICSD 37005 Fm-3m (225) ✔ 10 84 1 0.0133 0.050 0.000 (0;000) ✗ 27/01/17
CsSnBr3 ICSD 4071 Pm-3m (221) ✔ 5 44 3 0.0133 0.013 0.000 (0;000) ✗ 27/01/17
SiPt ICSD 248491 Pmnb (62) ✔ 8 56 1 0.0138 0.018 0.000 (0;000) ✗ 06/10/16
RbVSe2 ICSD 415479 Fddd (70) ✔ 16 136 1 0.015 0.184 0.000 (0;000) ✗ 02/02/17
K6Fe2O5 ICSD 174312 Cm (8) ✗ 13 100 1 0.0152 0.035 0.000 (0;100) ✔ 05/12/16
BaV2(NiO4)2 COD 2002114 R-3 (148) ✔ 13 104 2 0.0154 0.027 0.000 (0;111) ✗ 05/01/17
CaTl2O4 COD 1000379 Cmcm (63) ✔ 14 120 3 0.0168 0.077 0.000 (0;000) ✗ 27/01/17
Ca(MgBi)2 COD 7221203 P-3m1 (164) ✔ 5 60 2 0.0171 0.017 0.000 (0;000) ✗ 05/01/17
Na2IrO3 ICSD 187130 C2/m (12) ✔ 12 106 2 0.0175 0.055 0.000 (0;000) ✗ 27/01/17
TiO2 ICSD 97008 Cmm2 (35) ✗ 12 96 2 0.0178 0.020 0.000 (0;000) ✔ 11/04/17
Re2Cl5O4 ICSD 416429 P-1 (2) ✔ 22 178 1 0.0181 0.024 0.000 (0;000) ✗ 07/08/17
Cs2KMnF6 ICSD 91037 Fm-3m (225) ✔ 10 84 1 0.0189 0.052 0.000 (0;000) ✗ 27/01/17
ZrCl2 ICSD 41539 R-3 (148) ✔ 18 108 3 0.0195 0.033 0.000 (0;000) ✗ 02/02/17
TlN ICSD 186556 P6_3mc (186) ✗ 4 36 3 0.0197 0.024 0.000 (1;000) ✔ 06/10/16
K2CoO2 ICSD 74940 P2_1/c (14) ✔ 20 188 1 0.0211 0.033 0.000 (0;000) ✗ 02/02/17
CdSi(CuTe2)2 ICSD 656151 I-42m (121) ✗ 8 62 3 0.0221 0.022 0.000 (0;000) ✔ 22/03/17
Rb2PdBr6 COD 1010637 Fm-3m (225) ✔ 9 78 2 0.0222 0.153 0.000 (0;000) ✗ 02/02/17
MnN ICSD 236787 F-43m (216) ✗ 2 20 3 0.0222 0.393 0.000 (0;000) ✔ 04/10/16
BaC2(SN)2 ICSD 94428 C2/c (15) ✔ 14 80 1 0.023 0.051 0.000 (0;000) ✗ 02/02/17
Sr3PbO COD 1525463 Pm-3m (221) ✔ 5 50 1 0.024 0.024 0.000 (0;000) ✗ 27/01/17
ScSnAu COD 1510293 F-43m (216) ✗ 3 36 3 0.0242 1.262 0.000 (0;000) ✔ 15/02/17
Cd(HO)2 ICSD 40185 Cm (8) ✗ 10 52 3 0.0243 0.237 0.000 (0;000) ✔ 15/02/17
Ca3BiN COD 1527230 Pm-3m (221) ✔ 5 50 1 0.025 0.025 0.000 (0;000) ✗ 05/01/17
CoSb3 COD 9015513 Im3 (204) ✔ 16 128 3 0.025 0.025 0.000 (0;000) ✗ 02/02/17
Ba2Pb ICSD 416561 Pnma (62) ✔ 12 136 1 0.0261 0.029 0.000 (1;000) ✗ 02/02/17
TiTlCuTe3 ICSD 81571 P2_1/m (11) ✔ 12 108 3 0.0268 0.088 0.000 (0;000) ✗ 02/02/17
ReTeS COD 2004916 F-43m (216) ✗ 12 108 3 0.0279 0.408 0.000 (0;000) ✔ 26/04/17
TiIN ICSD 27394 Pmmn (59) ✔ 6 48 2 0.0301 0.030 0.000 (0;000) ✗ 30/01/17
Ge COD 9008567 Fd-3m (227) ✔ 2 8 3 0.0302 0.030 0.000 (0;000) ✗ 27/01/17
OsS2 COD 9008419 Pa3 (205) ✔ 12 112 3 0.0312 0.145 0.000 (0;000) ✗ 27/01/17
InSb ICSD 162196 F-43m (216) ✗ 2 18 3 0.0313 0.000 0.009 (1;000) ✔ 06/10/16
Ag2S COD 4329107 P2_1/c (14) ✔ 12 112 3 0.0315 0.032 0.000 (0;000) ✗ 30/01/17
GeRu ICSD 637744 P2_13 (198) ✗ 8 80 3 0.0317 0.132 0.000 (0;000) ✔ 06/10/16
GaCuO2 COD 4342352 Pna2_1 (33) ✗ 16 144 3 0.0321 0.033 0.000 (0;000) ✔ 11/04/17
FeTe2 ICSD 633869 Pa3 (205) ✔ 12 80 3 0.0324 0.108 0.000 (0;000) ✗ 02/02/17
RhF3 COD 1010417 P321 (150) ✗ 12 114 2 0.0331 0.052 0.000 (0;000) ✔ 15/02/17
BaFeF4 ICSD 65252 Ccm2_1 (36) ✗ 12 92 2 0.0333 0.270 0.000 (0;000) ✔ 06/10/16
KCuCl3 ICSD 109325 P2_1/c (14) ✔ 20 164 3 0.0337 0.048 0.000 (0;000) ✗ 02/02/17
Ba(GeAs)2 COD 2101579 P4_2mc (105) ✗ 20 112 3 0.034 0.116 0.000 (0;000) ✔ 26/04/17
BaSiC ICSD 168413 I4mm (107) ✗ 3 18 1 0.0347 0.793 0.000 (0;000) ✔ 07/10/16
Sr(MgBi)2 ICSD 616807 P-3m1 (164) ✔ 5 60 2 0.0348 0.035 0.000 (0;000) ✗ 05/01/17
Cu2S ICSD 628818 Fm-3m (225) ✔ 3 28 3 0.035 0.037 0.000 (1;000) ✗ 27/01/17
Ca2NiOsO6 ICSD 152444 P2_1/c (14) ✔ 20 164 3 0.0359 0.078 0.000 (0;000) ✗ 02/02/17
Sr2Pb COD 1523314 Pnma (62) ✔ 12 136 1 0.0361 0.074 0.000 (1;000) ✗ 02/02/17
GeSe ICSD 53906 Fm-3m (225) ✔ 2 10 3 0.0362 0.036 0.000 (0;000) ✗ 27/01/17
BaCaSi ICSD 52682 Pnma (62) ✔ 12 96 1 0.0365 0.037 0.000 (0;000) ✗ 02/02/17
RbHfAgTe3 ICSD 402632 P2_1/m (11) ✔ 12 100 3 0.0368 0.069 0.000 (0;000) ✗ 30/01/17
RbSe ICSD 73177 P-62m (189) ✗ 12 90 1 0.0379 0.404 0.000 (0;000) ✔ 10/04/17
FeSiO3 COD 9003393 C2/c (15) ✔ 20 120 3 0.038 0.054 0.000 (0;000) ✗ 02/02/17
Ba2Sn ICSD 416562 Pnma (62) ✔ 12 136 1 0.0388 0.039 0.000 (0;000) ✗ 02/02/17
MgSiSb2 ICSD 237069 I-42d (122) ✗ 8 48 3 0.0393 0.039 0.000 (0;000) ✔ 07/10/16
Rb2In3 ICSD 370026 I4/mmm (139) ✔ 10 114 2 0.0406 0.042 0.000 (0;000) ✗ 02/02/17
Ge3(Te3As)2 ICSD 68113 R-3m (166) ✔ 11 58 2 0.0423 0.110 0.000 (0;000) ✗ 21/03/17
BaCaPb ICSD 615799 Pnma (62) ✔ 12 136 1 0.0423 0.082 0.000 (0;000) ✗ 02/02/17
PdS COD 9013399 P4_2/m (84) ✔ 16 192 3 0.0424 0.099 0.000 (0;000) ✗ 02/02/17
RbAg3Se2 COD 1510035 C2/m (12) ✔ 12 108 1 0.0425 0.043 0.000 (0;000) ✗ 30/01/17
ZnSi(CuTe2)2 ICSD 656150 I-42m (121) ✗ 8 62 3 0.0426 0.052 0.000 (0;000) ✔ 22/03/17
Li2Cu2TeO6 ICSD 189655 C2/m (12) ✔ 11 70 2 0.0428 0.107 0.000 (0;000) ✗ 27/01/17
Ca3SiO ICSD 413382 Imma (74) ✔ 10 80 1 0.0436 0.044 0.000 (0;000) ✗ 02/02/17
K4ZnBi2 COD 7029492 C222_1 (20) ✗ 14 156 1 0.0439 0.044 0.000 (0;000) ✔ 13/04/17
Bi2Te4Pb ICSD 616936 R-3m (166) ✔ 7 68 3 0.0449 0.134 0.000 (1;111) ✗ 02/02/17
InCo3SnS2 ICSD 425136 R-3m (166) ✔ 7 90 3 0.0451 0.067 0.000 (0;000) ✗ 27/01/17
HfBRh3 ICSD 614447 Pm-3m (221) ✔ 5 66 3 0.0451 0.109 0.000 (0;111) ✗ 05/01/17
HfTe5 COD 1527386 Cmcm (63) ✔ 12 84 2 0.0451 0.045 0.000 (1;110) ✗ 02/02/17
BiTe ICSD 100654 P-3m1 (164) ✔ 12 126 2 0.0457 0.097 0.000 (0;001) ✗ 06/10/16
BiTe COD 9000678 P-3m1 (164) ✔ 12 126 2 0.0457 0.097 0.000 (0;001) ✗ 02/02/17
K2CdSn ICSD 620066 C2cm (40) ✗ 8 88 1 0.0462 0.306 0.000 (0;000) ✔ 05/12/16
Cu2HgGeS4 ICSD 94988 I-42m (121) ✗ 8 62 3 0.0465 0.047 0.000 (0;000) ✔ 22/03/17
K2Cr2O7 COD 1528259 C2/m (12) ✔ 22 176 1 0.0467 0.211 0.000 (0;000) ✗ 07/08/17
AgBr ICSD 31109 P4/mmm (123) ✔ 2 18 1 0.0473 0.348 0.000 (0;000) ✗ 05/01/17
C COD 1100003 R-3m (166) ✔ 2 8 2 0.0479 0.048 0.000 (0;111) ✗ 27/01/17
RbSc5Te8 ICSD 245998 C2/m (12) ✔ 14 112 3 0.048 0.255 0.000 (0;000) ✗ 29/03/17
Hg5(BrO2)2 ICSD 38605 Ibam (72) ✔ 22 196 3 0.0481 0.117 0.000 (0;000) ✗ 07/08/17
Si2Mo ICSD 182116 P6_222 (180) ✗ 9 66 3 0.0485 0.512 0.000 (0;000) ✔ 06/10/16
TiO COD 2002690 P-6m2 (187) ✗ 2 18 3 0.0497 0.050 0.000 (0;000) ✔ 15/02/17
MnAgO4 COD 1010440 Pnma (62) ✔ 24 200 3 0.0501 0.054 0.000 (0;000) ✗ 04/08/17
CaCl2 ICSD 51238 Pm2_1n (31) ✗ 6 48 1 0.051 0.084 0.000 (0;000) ✔ 06/10/16
Li2MnO3 COD 1514066 C2/m (12) ✔ 12 78 2 0.053 0.078 0.000 (0;000) ✗ 27/01/17
ReP3 ICSD 647985 Pnma (62) ✔ 16 120 2 0.0531 0.109 0.000 (0;000) ✗ 02/02/17
Na4FeO4 COD 1522158 P-1 (2) ✔ 18 136 1 0.0547 0.089 0.000 (0;000) ✗ 02/02/17
GeSb4Te7 ICSD 42875 P-3m1 (164) ✔ 12 66 2 0.056 0.111 0.000 (1;001) ✗ 02/02/17
BaFeF4 ICSD 82765 Ccm2_1 (36) ✗ 12 92 2 0.0565 0.274 0.000 (0;000) ✔ 06/10/16
Bi2O3 ICSD 168808 P-4m2 (115) ✗ 5 28 3 0.0567 0.494 0.000 (0;000) ✔ 06/10/16
Ga2Ru ICSD 635228 Fddd (70) ✔ 6 84 3 0.0567 0.830 0.000 (0;000) ✗ 27/01/17
CsSnI3 COD 4117958 P4/mbm (127) ✔ 10 88 3 0.0575 0.058 0.000 (1;001) ✗ 02/02/17
Li2AgSb COD 1509445 F-43m (216) ✗ 4 22 3 0.0583 0.058 0.000 (0;000) ✔ 15/02/17
Al2Ru ICSD 609228 Fddd (70) ✔ 6 44 3 0.0583 1.223 0.000 (0;000) ✗ 05/01/17
Sr(RuO3)2 ICSD 248351 P-31m (162) ✔ 9 78 2 0.0589 0.098 0.000 (0;000) ✗ 27/01/17
CsZn4P3 COD 4326067 P4/mmm (123) ✔ 8 72 2 0.0592 0.059 0.000 (0;000) ✗ 27/01/17
CsZn4P3 ICSD 262031 P4/mmm (123) ✔ 8 72 2 0.0592 0.059 0.000 (0;000) ✗ 07/04/17
Na2Si4Cu2O11 COD 2217426 P-1 (2) ✔ 19 122 3 0.0598 0.108 0.000 (0;000) ✗ 02/02/17
V2Te2O7F2 COD 2016941 P-1 (2) ✔ 13 94 2 0.0608 0.151 0.000 (0;000) ✗ 27/01/17
K2PtS6 COD 9014681 P-3m1 (164) ✔ 9 64 1 0.0611 0.079 0.000 (1;000) ✗ 02/02/17
Tl5Te2Br ICSD 427679 I4/mcm (140) ✔ 16 168 3 0.0633 0.064 0.000 (0;000) ✗ 02/02/17
Y6OsI10 ICSD 74649 P-1 (2) ✔ 17 152 3 0.0635 0.098 0.000 (0;000) ✗ 02/02/17
CaTi4(FeO4)3 COD 9006334 Im3 (204) ✔ 20 154 3 0.0639 0.072 0.000 (0;000) ✗ 02/02/17
FeGe ICSD 103492 P2_13 (198) ✗ 8 48 3 0.0653 0.087 0.000 (0;000) ✔ 06/10/16
Te2I COD 1527658 Pnma (62) ✔ 24 152 1 0.0653 0.065 0.000 (0;000) ✗ 04/08/17
Sb2TeSe2 ICSD 651529 R-3m (166) ✔ 5 28 2 0.0656 0.066 0.000 (1;000) ✗ 27/01/17
HfSe2 ICSD 182678 P-3m1 (164) ✔ 3 24 2 0.0662 1.151 0.000 (0;000) ✗ 27/01/17
Li2RuF6 ICSD 165210 P4_2/mnm (136) ✔ 18 128 1 0.067 0.127 0.000 (0;000) ✗ 27/01/17
Ag3AsO4 COD 1510036 P-43n (218) ✗ 16 124 3 0.068 0.150 0.000 (0;000) ✔ 26/04/17
OsSe2 COD 9012407 Pa3 (205) ✔ 12 112 3 0.0681 0.199 0.000 (0;000) ✗ 02/02/17
Sb2Ru ICSD 42608 Pmnn (58) ✔ 6 52 3 0.0682 0.627 0.000 (0;000) ✗ 06/10/16
KHgAs COD 7221177 P6_3/mmc (194) ✔ 6 52 2 0.0686 0.093 0.000 (0;000) ✗ 05/01/17
Na3As COD 1010293 P6_3/mmc (194) ✔ 8 64 1 0.0712 0.071 0.000 (0;000) ✗ 30/01/17
Fe2B2O5 ICSD 420463 P-1 (2) ✔ 18 104 3 0.0736 0.093 0.000 (0;000) ✗ 05/01/17
KCdAs ICSD 609963 P4/nmm (129) ✔ 6 52 1 0.074 0.102 0.000 (0;000) ✗ 05/01/17
NbSeBr3 COD 4030713 P2/c (13) ✔ 20 160 1 0.0742 0.158 0.000 (0;000) ✗ 02/02/17
Rb2PtS6 COD 9014424 P-3m1 (164) ✔ 9 64 1 0.0749 0.078 0.000 (1;000) ✗ 02/02/17
Sc7CoI12 ICSD 202109 R-3 (148) ✔ 20 178 3 0.0753 0.150 0.000 (0;000) ✗ 22/03/17
LiCoF4 COD 1000261 P2_1/c (14) ✔ 12 96 2 0.0757 0.121 0.000 (0;000) ✗ 27/01/17
Na2Cu2TeO6 COD 4309206 C2/m (12) ✔ 11 82 2 0.0768 0.144 0.000 (0;000) ✗ 27/01/17
Tl6TeO12 ICSD 37134 R-3 (148) ✔ 19 156 3 0.0769 0.010 1.000 (1;000) ✗ 02/02/17
SrLiBi ICSD 58800 Pnma (62) ✔ 12 112 1 0.0791 0.079 0.000 (0;000) ✗ 02/02/17
Rb3Cu2Cl7 ICSD 26369 Ccce (68) ✔ 24 196 2 0.0799 0.246 0.000 (0;000) ✗ 04/08/17
Ag2Te COD 5910144 P2_1/c (14) ✔ 12 112 3 0.0803 0.080 0.000 (1;000) ✗ 30/01/17
InAs ICSD 190427 P6_3mc (186) ✗ 4 36 3 0.0806 0.081 0.000 (0;000) ✔ 06/10/16
SiOs ICSD 15692 P2_13 (198) ✗ 8 80 3 0.0821 0.090 0.000 (0;000) ✔ 06/10/16
HfTe5 ICSD 85508 Cmcm (63) ✔ 12 84 2 0.0829 0.086 0.000 (1;110) ✗ 06/10/16
KIO4 ICSD 26964 I4_1/a (88) ✔ 12 80 3 0.0835 0.084 0.000 (0;000) ✗ 02/02/17
TlBiSe2 ICSD 617113 R-3m (166) ✔ 4 40 3 0.0837 0.084 0.000 (1;000) ✗ 05/01/17
CoAsSe ICSD 41731 Pbca (61) ✔ 24 224 3 0.0838 0.173 0.000 (0;000) ✗ 04/08/17
KPd2O3 COD 4314864 R-3m (166) ✔ 12 126 3 0.084 0.485 0.000 (0;000) ✗ 27/01/17
BaCdSbF ICSD 421815 P4/nmm (129) ✔ 8 68 1 0.0848 0.085 0.000 (0;000) ✗ 02/02/17
Bi2Te3 ICSD 15753 R-3m (166) ✔ 5 28 2 0.0867 0.094 0.000 (1;000) ✗ 06/10/16
Cs2SnI6 COD 4335642 Fm-3m (225) ✔ 9 74 2 0.0894 0.089 0.000 (0;000) ✗ 02/02/17
Hg2SO4 COD 1527303 P2/c (13) ✔ 14 108 3 0.0916 0.361 0.000 (0;000) ✗ 02/02/17
Rb2PbO2 ICSD 2267 P-1 (2) ✔ 20 176 3 0.0923 0.200 0.000 (0;000) ✗ 02/02/17
AgBi3S5 COD 9004119 C2/m (12) ✔ 18 172 3 0.0935 0.157 0.000 (0;000) ✗ 16/03/17
CsFeCl3 ICSD 300249 P6_3/mmc (194) ✔ 10 76 1 0.0943 0.094 0.000 (0;000) ✗ 02/02/17
BaP3Pt2 ICSD 62520 P2_1/c (14) ✔ 24 180 3 0.0952 0.530 0.000 (0;000) ✗ 04/08/17
Ta2O5 ICSD 95462 Pmmm (47) ✔ 7 56 3 0.0961 0.371 0.000 (0;000) ✗ 27/01/17
Ba2ZnSb2 COD 4315626 Ibam (72) ✔ 10 84 1 0.0964 0.317 0.000 (0;000) ✗ 02/02/17
KRhF6 ICSD 165215 R-3 (148) ✔ 8 68 1 0.0967 0.149 0.000 (0;000) ✗ 27/01/17
CsSnI3 COD 4117957 Pm-3m (221) ✔ 5 44 3 0.0969 0.097 0.000 (1;111) ✗ 02/02/17
Na3Li3N2 ICSD 92312 Pm (6) ✗ 8 46 2 0.0971 0.370 0.000 (0;000) ✔ 06/10/16
TiFeO3 COD 9000908 R-3 (148) ✔ 10 76 3 0.0976 0.174 0.000 (0;000) ✗ 27/01/17
Bi2Pb2Se5 ICSD 30372 P-3m1 (164) ✔ 9 88 3 0.0977 0.215 0.000 (1;000) ✗ 02/02/17
Sb3Ir COD 2310426 Im3 (204) ✔ 16 128 3 0.0978 0.098 0.000 (0;000) ✗ 02/02/17
Ba3GeO ICSD 50512 Pnma (62) ✔ 20 160 1 0.0982 0.098 0.000 (0;000) ✗ 02/02/17
TlBiS2 COD 2209681 R-3m (166) ✔ 4 40 2 0.0991 0.099 0.000 (1;000) ✗ 05/01/17
CuBiSeO ICSD 75128 P4/nmm (129) ✔ 8 76 3 0.0992 0.171 0.000 (0;000) ✗ 05/01/17
WCl3O ICSD 416393 P4_2/mnm (136) ✔ 20 220 2 0.0992 0.099 0.000 (0;000) ✗ 11/04/17
Rb3Bi ICSD 616996 Fm-3m (225) ✔ 4 42 1 0.0996 0.410 0.000 (0;000) ✗ 05/01/17
Y2Fe17 ICSD 634081 R-3m (166) ✔ 19 158 3 0.1004 0.023 1.000 (0;000) ✗ 22/03/17
Li2MgSi ICSD 181255 F-43m (216) ✗ 4 20 3 0.1016 2.053 0.000 (0;000) ✔ 06/10/16
TlCu3Se2 ICSD 68524 C2/m (12) ✔ 12 116 2 0.1018 0.214 0.000 (0;000) ✗ 02/02/17
Sc7CoBr12 ICSD 424474 R-3 (148) ✔ 20 178 3 0.1021 0.145 0.000 (0;000) ✗ 02/02/17
Ag2GeS3 ICSD 41711 Cmc2_1 (36) ✗ 12 88 3 0.1033 0.103 0.000 (0;000) ✔ 28/11/16
Rb2SnI6 COD 1010052 Fm-3m (225) ✔ 9 74 2 0.1036 0.104 0.000 (0;000) ✗ 02/02/17
Ga3Fe COD 1524246 P4_2/mnm (136) ✔ 16 188 3 0.1042 0.344 0.000 (0;000) ✗ 02/02/17
Y2ZnSe4 ICSD 652188 Fd-3m (227) ✔ 14 116 3 0.1048 0.105 0.000 (0;000) ✗ 02/02/17
Ti2O3 ICSD 187466 Pnma (62) ✔ 20 168 3 0.1059 0.171 0.000 (0;000) ✗ 29/03/17
Ge(Te2As)2 ICSD 68111 R-3m (166) ✔ 7 38 2 0.1064 0.136 0.000 (0;000) ✗ 05/01/17
InAgTe2 ICSD 104476 I-42d (122) ✗ 8 72 3 0.1067 0.107 0.000 (0;000) ✔ 07/10/16
K2NiAs2 ICSD 300120 Cmcm (63) ✔ 10 76 1 0.1072 0.117 0.000 (0;000) ✗ 30/01/17
Tl5Se2Br ICSD 75960 I4/mcm (140) ✔ 16 168 3 0.1085 0.117 0.000 (0;000) ✗ 02/02/17
Sc7CoCl12 ICSD 424476 R-3 (148) ✔ 20 178 3 0.1088 0.149 0.000 (0;000) ✗ 02/02/17
K2BaCdSb2 ICSD 422272 Pmc2_1 (26) ✗ 12 100 1 0.1098 0.117 0.000 (0;000) ✔ 21/03/17
Sb2Te3 COD 9007590 R-3m (166) ✔ 5 28 2 0.1121 0.227 0.000 (1;000) ✗ 27/01/17
Sb2Te3 ICSD 2084 R-3m (166) ✔ 5 28 2 0.1121 0.227 0.000 (1;000) ✗ 06/10/16
Ge2Te5As2 ICSD 68112 P-3m1 (164) ✔ 9 48 2 0.1138 0.188 0.000 (0;000) ✗ 30/01/17
Na2Cu4S3 COD 1525200 C2/m (12) ✔ 18 160 1 0.1149 0.115 0.000 (0;000) ✗ 02/02/17
K2CdPb ICSD 10041 C2cm (40) ✗ 8 88 1 0.1156 0.312 0.000 (0;000) ✔ 05/12/16
SrH2 COD 1010560 Imma (74) ✔ 6 24 1 0.1164 0.543 0.000 (0;000) ✗ 27/01/17
HfGeTe4 ICSD 241122 Cmc2_1 (36) ✗ 12 80 2 0.1165 0.169 0.000 (0;000) ✔ 06/10/16
TeO2 COD 1011183 Pbca (61) ✔ 24 144 2 0.1166 0.231 0.000 (0;000) ✗ 04/08/17
CsPbI3 ICSD 181288 Pm-3m (221) ✔ 5 44 3 0.117 0.117 0.000 (1;111) ✗ 02/02/17
TePb COD 9008696 Fm-3m (225) ✔ 2 20 3 0.1189 0.119 0.000 (0;000) ✗ 27/01/17
LiTlO2 ICSD 33633 I4_1/amd (141) ✔ 8 56 3 0.1194 1.173 0.000 (0;000) ✗ 27/01/17
FeSi ICSD 36188 P2_13 (198) ✗ 8 48 3 0.1202 0.156 0.000 (0;000) ✔ 06/10/16
Mg3Sb2 ICSD 165386 P-3m1 (164) ✔ 5 40 3 0.1215 1.032 0.000 (0;000) ✗ 27/01/17
NbCoO4 COD 2002264 C2/m (12) ✔ 12 108 3 0.1218 0.163 0.000 (0;000) ✗ 27/01/17
Rb3Sb ICSD 77991 P6_3/mmc (194) ✔ 8 64 1 0.1219 0.176 0.000 (0;000) ✗ 02/02/17
SrGeO3 COD 2240649 Pm-3m (221) ✔ 5 32 3 0.122 0.765 0.000 (0;000) ✗ 27/01/17
CoF3 COD 2310597 R-3c (167) ✔ 8 76 3 0.1224 0.146 0.000 (0;000) ✗ 27/01/17
Ca2Sn ICSD 58935 Pnma (62) ✔ 12 136 1 0.1234 0.126 0.000 (0;000) ✗ 02/02/17
HgTe ICSD 162603 P3_121 (152) ✗ 6 54 0 0.1243 0.414 0.000 (0;000) ✔ 06/10/16
WCl4 ICSD 165263 C2/m (12) ✔ 10 112 1 0.1244 0.269 0.000 (0;000) ✗ 11/04/17
Bi2Te3 COD 9011962 R-3m (166) ✔ 5 48 2 0.1253 0.128 0.000 (1;000) ✗ 05/01/17
Y6RuI10 ICSD 74645 P-1 (2) ✔ 17 152 3 0.1254 0.157 0.000 (0;000) ✗ 02/02/17
Na2SbAu COD 7209394 Cmcm (63) ✔ 8 68 1 0.1268 0.189 0.000 (0;000) ✗ 02/02/17
ZnHIO4 ICSD 185598 Cc (9) ✗ 14 88 3 0.1277 0.194 0.000 (0;000) ✔ 29/03/17
Ba2Zn3(AsO)2 ICSD 67998 I4/mmm (139) ✔ 9 78 1 0.1283 0.129 0.000 (0;000) ✗ 05/01/17
Ga2Fe2S5 ICSD 32551 R-3m (166) ✔ 9 72 2 0.1302 0.260 0.000 (0;000) ✗ 22/03/17
LiZnSb ICSD 42064 P6_3mc (186) ✗ 6 40 3 0.131 0.153 0.000 (0;000) ✔ 06/10/16
LiZnSb ICSD 642350 P6_3mc (186) ✗ 6 40 3 0.131 0.153 0.000 (0;000) ✔ 06/10/16
NaFeSO4F ICSD 262276 C2/c (15) ✔ 16 108 3 0.1321 0.161 0.000 (0;000) ✗ 27/01/17
Ca3SnH2 ICSD 165615 Cmcm (63) ✔ 12 92 1 0.133 0.133 0.000 (0;000) ✗ 02/02/17
Sr2Zn2As3 COD 4328428 C2/m (12) ✔ 14 118 1 0.1356 0.139 0.000 (0;000) ✗ 30/01/17
Ba5CrN5 ICSD 82360 C2/m (12) ✔ 22 178 1 0.1358 0.333 0.000 (0;000) ✗ 07/08/17
Sr(CdAs)2 ICSD 23249 P-3m1 (164) ✔ 5 44 2 0.1364 0.136 0.000 (0;000) ✗ 05/01/17
FePS3 COD 1527654 C2/m (12) ✔ 10 62 2 0.1373 0.173 0.000 (0;000) ✗ 27/01/17
BiI ICSD 1558 C2/m (12) ✔ 16 96 1 0.1374 0.153 0.000 (0;000) ✗ 06/10/16
KZrCuSe3 ICSD 80625 Cmcm (63) ✔ 12 84 2 0.1374 0.137 0.000 (0;000) ✗ 02/02/17
BiI COD 1528275 C2/m (12) ✔ 16 176 1 0.1378 0.149 0.000 (0;000) ✗ 02/02/17
Ge3As4 ICSD 163833 P-42m (111) ✗ 7 32 3 0.138 0.212 0.000 (0;000) ✔ 06/10/16
BiI ICSD 1559 C2/m (12) ✔ 8 48 1 0.139 0.161 0.000 (0;001) ✗ 06/10/16
BiI COD 1528276 C2/m (12) ✔ 8 88 1 0.1394 0.155 0.000 (0;001) ✗ 02/02/17
TlAgSe COD 1509539 Pnma (62) ✔ 12 120 3 0.1396 0.436 0.000 (0;000) ✗ 30/01/17
GaAgTe2 ICSD 156128 I-42d (122) ✗ 8 72 3 0.1402 0.140 0.000 (0;000) ✔ 07/10/16
FeSO4 COD 2216658 Pnma (62) ✔ 24 152 3 0.1406 0.141 0.000 (0;000) ✗ 04/08/17
GaCuSe2 ICSD 42097 I-42d (122) ✗ 8 72 3 0.1417 0.142 0.000 (0;000) ✔ 15/02/17
Cs2NaMnF6 ICSD 37006 R-3m (166) ✔ 20 168 1 0.143 0.040 1.000 (0;000) ✗ 22/03/17
TaTlSe3 ICSD 415528 Pnma (62) ✔ 20 176 3 0.1437 0.210 0.000 (0;000) ✗ 02/02/17
SrCaPb COD 1528700 Pnma (62) ✔ 12 136 1 0.1438 0.163 0.000 (0;000) ✗ 02/02/17
Sr2NbCoO6 ICSD 192327 I4/m (87) ✔ 10 86 3 0.1441 0.157 0.000 (0;000) ✗ 27/01/17
Hg5(ClO2)2 COD 9001640 Ibam (72) ✔ 22 196 3 0.1443 0.254 0.000 (0;000) ✗ 07/08/17
BaFe2(PO4)2 ICSD 424895 R-3 (148) ✔ 13 84 2 0.1447 0.225 0.000 (0;000) ✗ 05/01/17
Ca2CdSb2 COD 4109271 Pnma (62) ✔ 20 168 1 0.1448 0.159 0.000 (0;000) ✗ 21/03/17
TiGeTe6 ICSD 73014 C2/m (12) ✔ 16 104 2 0.1456 0.234 0.000 (0;000) ✗ 02/02/17
ZnCu2SnS4 ICSD 628893 I-42m (121) ✗ 8 72 3 0.1464 0.146 0.000 (0;000) ✔ 15/02/17
K5InPb8 ICSD 152384 R-3m (166) ✔ 14 170 3 0.1468 0.186 0.000 (0;000) ✗ 02/02/17
AgO COD 1509688 P2_1/c (14) ✔ 8 68 3 0.1484 0.645 0.000 (0;000) ✗ 05/01/17
Ba4Zr3S10 ICSD 72656 I4/mmm (139) ✔ 17 112 2 0.1499 0.382 0.000 (0;000) ✗ 21/03/17
IrSe2 COD 9009096 Pnma (62) ✔ 24 232 3 0.1504 0.467 0.000 (0;000) ✗ 04/08/17
VPS3 ICSD 648076 C2/m (12) ✔ 10 72 2 0.1508 0.195 0.000 (0;000) ✗ 27/01/17
RbZn4P3 COD 4326075 P4/mmm (123) ✔ 8 72 2 0.1514 0.151 0.000 (0;000) ✗ 27/01/17
RbZn4P3 ICSD 262039 P4/mmm (123) ✔ 8 72 2 0.1514 0.151 0.000 (0;000) ✗ 07/04/17
MnNbF6 COD 1507759 R-3 (148) ✔ 8 70 3 0.1533 0.229 0.000 (0;000) ✗ 27/01/17
YN COD 9008768 Fm-3m (225) ✔ 2 16 3 0.1535 0.511 0.000 (0;000) ✗ 27/01/17
Sb2Te4Pb ICSD 250250 R-3m (166) ✔ 7 48 2 0.1535 0.154 0.000 (1;111) ✗ 02/02/17
Sr3GeO ICSD 413385 Pnma (62) ✔ 20 160 1 0.1546 0.155 0.000 (0;000) ✗ 02/02/17
BaCaGe ICSD 52681 Pnma (62) ✔ 12 96 1 0.1551 0.155 0.000 (0;000) ✗ 02/02/17
Pb3O4 COD 9003043 Pbam (55) ✔ 14 132 3 0.1559 0.643 0.000 (0;000) ✗ 02/02/17
KAg3Te2 ICSD 402230 C2/m (12) ✔ 12 108 1 0.156 0.174 0.000 (0;000) ✗ 30/01/17
TiCdF6 COD 1527894 R-3 (148) ✔ 8 66 3 0.1564 0.162 0.000 (0;000) ✗ 27/01/17
BaPbO3 COD 1528128 Imma (74) ✔ 10 84 3 0.1566 0.157 0.000 (0;000) ✗ 05/01/17
YAsS ICSD 611344 P2_1/c (14) ✔ 12 88 3 0.157 0.176 0.000 (0;000) ✗ 30/01/17
FeAsS COD 1010913 P2_1/c (14) ✔ 12 76 3 0.1573 0.372 0.000 (0;000) ✗ 05/01/17
SbRuS ICSD 650583 P2_1/c (14) ✔ 12 108 3 0.1583 0.444 0.000 (0;000) ✗ 02/02/17
SrZrSe3 ICSD 84723 Pnma (62) ✔ 20 128 2 0.1594 0.178 0.000 (0;000) ✗ 02/02/17
Tl2AgI3 COD 1509393 R-3 (148) ✔ 18 174 3 0.1594 0.009 1.000 (1;001) ✗ 16/03/17
CdAs ICSD 432 Pbca (61) ✔ 16 136 3 0.1609 0.448 0.000 (0;000) ✗ 30/01/17
BaZnAsF ICSD 189936 P4/nmm (129) ✔ 8 68 1 0.1626 0.163 0.000 (0;000) ✗ 05/01/17
CsZrCuSe3 COD 4320319 Cmcm (63) ✔ 12 84 1 0.1631 0.163 0.000 (0;000) ✗ 02/02/17
SrB6 COD 5910016 Pm-3m (221) ✔ 7 28 3 0.1634 0.163 0.000 (0;000) ✗ 05/01/17
FeSb2 ICSD 151397 Pmnn (58) ✔ 6 36 3 0.1637 0.361 0.000 (0;000) ✗ 06/10/16
ScNiBi ICSD 58824 F-43m (216) ✗ 3 36 3 0.1651 0.846 0.000 (0;000) ✔ 15/02/17
Ca3(CoO3)2 ICSD 245502 R-3c (167) ✔ 22 200 1 0.1651 0.183 0.000 (0;000) ✗ 07/08/17
FePSe3 ICSD 16246 R3 (146) ✗ 10 62 2 0.1664 0.212 0.000 (0;000) ✔ 06/10/16
Al2FeS4 ICSD 607619 R3m (160) ✗ 7 38 2 0.1679 0.212 0.000 (0;000) ✔ 06/10/16
LiInSe2 ICSD 56531 R-3m (166) ✔ 4 28 2 0.1689 0.417 0.000 (0;000) ✗ 27/01/17
SrCrF4 ICSD 26105 I4/mcm (140) ✔ 12 104 1 0.1691 0.170 0.000 (0;000) ✗ 27/01/17
AgO ICSD 202543 P2_1/c (14) ✔ 8 68 3 0.1696 0.666 0.000 (0;000) ✔ 06/10/16
SnO COD 7206470 P4/nmm (129) ✔ 4 40 2 0.1699 1.998 0.000 (0;000) ✗ 27/01/17
K2Ag4S3 COD 1509882 C2/m (12) ✔ 18 160 1 0.17 0.170 0.000 (0;000) ✗ 30/01/17
Ta2FeO6 COD 9012189 P4_2/mnm (136) ✔ 18 140 3 0.1708 0.281 0.000 (0;000) ✗ 02/02/17
K3As COD 1010297 P6_3/mmc (194) ✔ 8 64 1 0.1714 0.204 0.000 (0;000) ✗ 30/01/17
Sb2AsS2 COD 9001702 C2/m (12) ✔ 10 54 3 0.1714 0.253 0.000 (0;000) ✗ 30/01/17
CN2 ICSD 247678 I-4m2 (119) ✗ 3 14 3 0.1717 0.173 0.000 (0;000) ✔ 06/10/16
P3Ir ICSD 23713 Im3 (204) ✔ 16 128 3 0.1726 0.481 0.000 (0;000) ✗ 02/02/17
SnTe ICSD 652743 Pnma (62) ✔ 8 80 2 0.1727 0.276 0.000 (0;000) ✗ 02/02/17
ZrI2 ICSD 24807 Pmn2_1 (31) ✗ 12 72 2 0.173 0.239 0.000 (0;000) ✔ 11/04/17
Li3CaMnN3 ICSD 408324 R-3 (148) ✔ 16 98 2 0.174 0.174 0.000 (0;000) ✗ 27/01/17
BaAgP COD 7209317 P6_3/mmc (194) ✔ 6 52 3 0.1741 0.383 0.000 (0;000) ✗ 05/01/17
YNiBi ICSD 58826 F-43m (216) ✗ 3 36 3 0.1743 0.705 0.000 (0;000) ✔ 15/02/17
Ba(ZnAs)2 COD 7221354 Pnma (62) ✔ 20 176 3 0.1744 0.174 0.000 (0;000) ✗ 30/01/17
Mg3Nb6O11 COD 1530351 P-3m1 (164) ✔ 20 174 3 0.1754 0.735 0.000 (0;000) ✗ 02/02/17
Bi2TeSe2 COD 9004849 R-3m (166) ✔ 5 48 2 0.1758 0.318 0.000 (1;000) ✗ 05/01/17
Al5C3N COD 1010635 P6_3mc (186) ✗ 18 64 3 0.176 1.164 0.000 (0;000) ✔ 26/04/17
Ba3Zr2S7 ICSD 69854 Cccm (66) ✔ 24 160 2 0.1761 0.176 0.000 (0;000) ✗ 04/08/17
Zr2SN2 COD 4124514 P6_3/mmc (194) ✔ 10 48 3 0.1779 1.455 0.000 (0;000) ✗ 27/01/17
AgBr COD 9011692 P2_1/m (11) ✔ 4 36 3 0.178 1.794 0.000 (0;000) ✗ 05/01/17
Ba2TaBiO6 ICSD 153121 R-3 (148) ✔ 10 84 3 0.178 0.395 0.000 (0;000) ✗ 05/01/17
Fe2P2O7 ICSD 17062 P1 (1) ✗ 11 68 3 0.178 0.178 0.000 (0;000) ✔ 06/10/16
Cs3Bi ICSD 659568 Fm-3m (225) ✔ 4 42 1 0.1791 0.627 0.000 (0;000) ✗ 02/02/17
VSbRu ICSD 107124 F-43m (216) ✗ 3 34 3 0.1798 0.946 0.000 (0;000) ✔ 15/02/17
KSb2 ICSD 80945 C2/m (12) ✔ 6 38 1 0.1801 0.569 0.000 (0;000) ✔ 02/02/17
BaSi9Rh2 ICSD 247984 C2/c (15) ✔ 24 160 3 0.1809 0.310 0.000 (0;000) ✗ 04/08/17
BiTeI ICSD 263109 P3m1 (156) ✗ 3 18 2 0.1819 0.182 0.000 (0;000) ✔ 06/10/16
NaGaTe2 ICSD 44702 I4/mcm (140) ✔ 8 68 1 0.1829 0.394 0.000 (0;000) ✗ 02/02/17
Y2Te3 ICSD 653174 Fddd (70) ✔ 20 160 3 0.1831 0.183 0.000 (0;000) ✗ 02/02/17
Ba(CdAs)2 ICSD 30917 P-3m1 (164) ✔ 5 44 2 0.1831 0.183 0.000 (0;000) ✗ 05/01/17
NbBr5 COD 8102968 P-1 (2) ✔ 12 96 1 0.1832 0.196 0.000 (0;000) ✗ 02/02/17
NbBr5 ICSD 409917 P-1 (2) ✔ 12 96 1 0.1833 0.196 0.000 (0;000) ✗ 06/10/16
Sr3(CoO3)2 ICSD 182288 R-3c (167) ✔ 22 200 1 0.1834 0.207 0.000 (0;000) ✗ 07/08/17
Sr2PdO3 COD 1531926 Immm (71) ✔ 6 56 2 0.1836 0.627 0.000 (0;000) ✗ 27/01/17
InCuO2 COD 1531594 P6_3/mmc (194) ✔ 8 72 3 0.1846 0.515 0.000 (0;000) ✗ 27/01/17
Sr2Sn COD 1528200 Pnma (62) ✔ 12 136 1 0.1881 0.188 0.000 (0;000) ✗ 02/02/17
Te7As5I ICSD 31877 Cm (8) ✗ 13 74 3 0.1896 0.258 0.000 (0;000) ✔ 06/10/16
SnTe ICSD 52489 Fm-3m (225) ✔ 2 20 3 0.1897 0.223 0.000 (0;000) ✗ 06/10/16
BC2N ICSD 191802 P1 (1) ✗ 8 32 3 0.1899 0.191 0.000 (0;000) ✔ 06/10/16
KAlSb4 ICSD 300157 Pnma (62) ✔ 24 128 3 0.1904 0.190 0.000 (0;000) ✗ 04/08/17
InAgO2 COD 1509396 P6_3/mmc (194) ✔ 8 72 3 0.1911 0.864 0.000 (0;000) ✗ 05/01/17
CaB6 COD 1011310 Pm-3m (221) ✔ 7 28 3 0.1914 0.191 0.000 (0;000) ✗ 05/01/17
KNaMo(OF2)2 ICSD 422707 P4/nmm (129) ✔ 18 144 1 0.1915 0.195 0.000 (0;000) ✗ 02/02/17
LiFePO4 ICSD 97766 Cmcm (63) ✔ 14 80 3 0.1926 0.307 0.000 (0;000) ✗ 27/01/17
Te8RuCl2 ICSD 422366 C2/c (15) ✔ 22 156 2 0.1936 0.197 0.000 (0;000) ✗ 07/08/17
Zn(PtO2)3 ICSD 35339 Cmmm (65) ✔ 10 78 3 0.1944 0.194 0.000 (0;000) ✗ 27/01/17
TiBrN ICSD 27395 Pmmn (59) ✔ 6 48 2 0.1946 0.195 0.000 (0;000) ✗ 27/01/17
SrAgP COD 7209350 P6_3/mmc (194) ✔ 6 52 2 0.1954 0.195 0.000 (0;000) ✗ 05/01/17
SnTe COD 9008726 Fm-3m (225) ✔ 2 20 3 0.1954 0.233 0.000 (0;000) ✗ 27/01/17
AlAsO4 ICSD 24512 I-4 (82) ✗ 6 32 3 0.1966 0.197 0.000 (0;000) ✔ 06/10/16
RbAu COD 1517938 Pm-3m (221) ✔ 2 20 1 0.1979 1.158 0.000 (0;000) ✗ 05/01/17
AgBiS2 COD 9011024 R-3m (166) ✔ 4 38 3 0.198 0.737 0.000 (0;000) ✗ 30/01/17
BiRhSe ICSD 617014 P2_13 (198) ✗ 12 152 3 0.1987 0.640 0.000 (0;000) ✔ 11/04/17
ZrTlCuSe3 ICSD 82561 Cmcm (63) ✔ 12 92 3 0.1992 0.238 0.000 (0;000) ✗ 02/02/17
CsAg3Se2 COD 1509996 C2/m (12) ✔ 12 108 1 0.1996 0.200 0.000 (0;000) ✗ 30/01/17
Te2Ru COD 1528256 Pnnm (58) ✔ 6 56 3 0.2 1.021 0.000 (0;000) ✗ 27/01/17
Rb2Ag4S3 COD 8100498 C2/m (12) ✔ 18 160 1 0.2015 0.202 0.000 (0;000) ✗ 30/01/17
CoSbS ICSD 624863 Pbca (61) ✔ 24 224 3 0.2044 0.263 0.000 (0;000) ✗ 04/08/17
BaCaSn ICSD 58641 Pnma (62) ✔ 12 136 1 0.2045 0.227 0.000 (0;000) ✗ 02/02/17
In5AgSe8 COD 1509418 P-42m (111) ✗ 14 124 3 0.2057 0.231 0.000 (0;000) ✔ 13/04/17
SiSbPt ICSD 413194 Pbca (61) ✔ 24 152 3 0.2057 0.310 0.000 (0;000) ✗ 04/08/17
K2SrCdSb2 ICSD 422273 Pmc2_1 (26) ✗ 12 100 1 0.2064 0.207 0.000 (0;000) ✔ 22/03/17
RbAg3Te2 COD 1510038 C2/m (12) ✔ 12 108 1 0.2065 0.207 0.000 (0;000) ✗ 30/01/17
Ca(CdAs)2 COD 7221220 P-3m1 (164) ✔ 5 44 2 0.2066 0.207 0.000 (0;000) ✗ 05/01/17
TlS ICSD 651247 I4/mcm (140) ✔ 8 76 1 0.2067 0.589 0.000 (0;000) ✗ 02/02/17
LiCaSb ICSD 52775 Pnma (62) ✔ 12 72 1 0.2069 0.231 0.000 (0;000) ✗ 02/02/17
Sb2TeSe2 ICSD 60963 R3m (160) ✗ 5 28 2 0.2074 0.207 0.000 (1;000) ✔ 06/10/16
PbSe COD 9008695 Fm-3m (225) ✔ 2 20 3 0.2077 0.208 0.000 (0;000) ✗ 27/01/17
Zr6CI12 ICSD 60918 R-3 (148) ✔ 19 112 3 0.2079 0.289 0.000 (0;000) ✗ 02/02/17
InFeBr3 ICSD 75469 Pnma (62) ✔ 20 168 3 0.209 0.339 0.000 (0;000) ✗ 02/02/17
Cl2 COD 9015583 P4_2/ncm (138) ✔ 16 112 1 0.2095 0.551 0.000 (0;000) ✗ 02/02/17
Na4CdP2 ICSD 67262 R-3m (166) ✔ 7 58 1 0.2097 0.314 0.000 (0;000) ✗ 02/02/17
KZnAs ICSD 43985 P-6m2 (187) ✗ 3 26 2 0.2099 0.326 0.000 (0;000) ✔ 06/10/16
LiFeAs ICSD 187132 I4mm (107) ✗ 3 16 3 0.2109 0.457 0.000 (0;000) ✔ 07/10/16
Sr(ZnAs)2 ICSD 23248 P-3m1 (164) ✔ 5 44 2 0.2109 0.211 0.000 (0;000) ✗ 05/01/17
Ca(GaP)2 ICSD 422525 P6_3/mmc (194) ✔ 10 92 2 0.2119 0.872 0.000 (0;000) ✗ 02/02/17
Ga2Ru ICSD 635227 Fddd (70) ✔ 6 84 3 0.2122 0.894 0.000 (0;000) ✗ 06/10/16
Sr(As3Pt2)2 ICSD 62518 C2/c (15) ✔ 22 160 3 0.2122 0.304 0.000 (0;000) ✗ 04/08/17
Sr3SiO ICSD 413384 Pnma (62) ✔ 20 160 1 0.2124 0.212 0.000 (0;000) ✗ 02/02/17
GeTe ICSD 56037 Fm-3m (225) ✔ 2 10 3 0.2145 0.215 0.000 (0;000) ✗ 27/01/17
AgO COD 1509487 I4_1/a (88) ✔ 16 136 3 0.2151 0.469 0.000 (0;000) ✗ 01/02/17
ZnTe ICSD 184486 P3_121 (152) ✗ 6 54 3 0.2173 0.229 0.000 (0;000) ✔ 06/10/16
CsSnI3 ICSD 69996 Pnma (62) ✔ 20 176 3 0.219 0.219 0.000 (0;000) ✗ 22/03/17
CsCd4As3 ICSD 262029 P4/mmm (123) ✔ 8 72 2 0.2198 0.220 0.000 (0;000) ✗ 07/04/17
CsCd4As3 COD 4326065 P4/mmm (123) ✔ 8 72 2 0.2198 0.220 0.000 (0;000) ✗ 30/01/17
TlFeI3 ICSD 26423 Pnma (62) ✔ 20 168 1 0.2199 0.321 0.000 (0;000) ✗ 02/02/17
KGa3 COD 1523230 I-4m2 (119) ✗ 12 144 3 0.2203 0.391 0.000 (0;000) ✔ 11/04/17
TlGaTe2 COD 1527851 I4/mcm (140) ✔ 8 76 3 0.2219 0.263 0.000 (0;000) ✗ 02/02/17
Mg2Si COD 1011355 Fm-3m (225) ✔ 3 24 3 0.2225 1.756 0.000 (0;000) ✗ 27/01/17
Cs5Te3 ICSD 34000 C2/m (12) ✔ 16 126 1 0.223 0.223 0.000 (0;000) ✗ 22/03/17
Ca2FeMoO6 ICSD 89956 P2_1/c (14) ✔ 20 156 3 0.2263 0.298 0.000 (0;000) ✗ 02/02/17
Cd(InSe2)2 ICSD 52811 Fd-3m (227) ✔ 14 124 3 0.2271 0.316 0.000 (0;000) ✗ 02/02/17
Rb4CO4 ICSD 245444 C2 (5) ✗ 9 64 3 0.2272 0.227 0.000 (0;000) ✔ 06/10/16
BaPdS2 ICSD 63588 Cmcm (63) ✔ 8 80 1 0.2276 0.228 0.000 (0;000) ✗ 02/02/17
ZnTe ICSD 80076 P3_1 (144) ✗ 6 54 3 0.2277 1.605 0.000 (0;000) ✔ 06/10/16
Ca3(InAs2)2 ICSD 61336 Pnnm (58) ✔ 18 152 1 0.2279 0.228 0.000 (0;000) ✗ 21/03/17
Ba4Sb2O ICSD 402284 I4/mmm (139) ✔ 7 56 1 0.2284 0.228 0.000 (0;000) ✗ 02/02/17
RbGa3 ICSD 103943 I-4m2 (119) ✗ 12 144 3 0.2287 0.411 0.000 (0;000) ✔ 11/04/17
K2H4OsO6 COD 8100724 I4/mmm (139) ✔ 13 74 1 0.2304 0.268 0.000 (0;000) ✗ 27/01/17
Na2AsAu ICSD 23254 Cmcm (63) ✔ 8 68 1 0.2318 0.248 0.000 (0;000) ✗ 05/01/17
KZnSb ICSD 44680 P-6m2 (187) ✗ 3 26 2 0.2326 0.390 0.000 (0;000) ✔ 06/10/16
In7GeIrO8 ICSD 417829 F-43m (216) ✗ 17 160 3 0.2332 0.266 0.000 (0;000) ✔ 26/04/17
Ba5Sb4 COD 2008660 Cmce (64) ✔ 18 140 1 0.2358 0.564 0.000 (0;000) ✗ 02/02/17
Cu3PSe4 COD 1531879 Pmn2_1 (31) ✗ 16 124 3 0.2365 0.237 0.000 (0;000) ✔ 24/04/17
ScSbPd ICSD 415944 F-43m (216) ✗ 3 34 3 0.2377 1.162 0.000 (0;000) ✔ 15/02/17
KGaSb4 ICSD 300158 Pnma (62) ✔ 24 168 3 0.2385 0.239 0.000 (0;000) ✗ 04/08/17
KHgSb ICSD 56201 P6_3/mmc (194) ✔ 6 52 2 0.2395 0.325 0.000 (1;110) ✗ 02/02/17
Te2Ru ICSD 106001 Pmnn (58) ✔ 6 56 3 0.2399 1.040 0.000 (0;000) ✗ 06/10/16
GaCuTe2 ICSD 28738 I-42d (122) ✗ 8 72 3 0.2411 0.241 0.000 (0;000) ✔ 07/10/16
Sr(GaAs)2 ICSD 422527 P2/m (10) ✔ 20 184 3 0.2417 0.242 0.000 (0;000) ✗ 30/01/17
CoPSe ICSD 624624 Pbca (61) ✔ 24 224 3 0.2418 0.316 0.000 (0;000) ✗ 04/08/17
KCuSe COD 7221372 P6_3/mmc (194) ✔ 6 52 3 0.242 0.242 0.000 (0;000) ✗ 27/01/17
CdS ICSD 620316 Fm-3m (225) ✔ 2 18 3 0.2437 1.748 0.000 (0;000) ✗ 27/01/17
As2Ru ICSD 42578 Pmnn (58) ✔ 6 52 3 0.2439 0.936 0.000 (0;000) ✗ 06/10/16
BC2N ICSD 191801 Cm (8) ✗ 8 32 3 0.2449 0.355 0.000 (0;000) ✔ 06/10/16
Rb2Te5 ICSD 30734 C2/m (12) ✔ 7 48 3 0.2458 0.494 0.000 (0;000) ✔ 02/02/17
TlFeBr3 ICSD 36217 Pnma (62) ✔ 20 168 1 0.2469 0.351 0.000 (0;000) ✗ 02/02/17
TiFeO3 ICSD 246515 R3c (161) ✗ 10 76 3 0.2475 0.296 0.000 (0;000) ✔ 06/10/16
Li3Sb COD 1010289 P6_3/mmc (194) ✔ 8 28 1 0.25 1.619 0.000 (0;000) ✗ 27/01/17
AlTlSe2 COD 7221238 I4/mcm (140) ✔ 8 56 1 0.25 0.277 0.000 (0;000) ✗ 30/01/17
SrCaSn COD 1528699 Pnma (62) ✔ 12 136 1 0.2503 0.255 0.000 (0;000) ✗ 02/02/17
TlAgTe COD 1509557 Pnma (62) ✔ 12 120 3 0.2516 0.358 0.000 (0;000) ✗ 30/01/17
Zr2ZnAg2F14 ICSD 422839 C2/m (12) ✔ 19 140 3 0.2533 0.686 0.000 (0;000) ✗ 30/01/17
Sn(HgSe2)2 ICSD 95061 I-4 (82) ✗ 7 62 3 0.2537 0.254 0.000 (0;000) ✔ 06/10/16
KSnSb ICSD 33933 P6_3mc (186) ✗ 6 56 1 0.2551 0.301 0.000 (0;000) ✔ 06/10/16
Ca2Zn2CuP3 ICSD 89517 P6_3/mmc (194) ✔ 16 140 2 0.2555 0.326 0.000 (0;000) ✗ 02/02/17
Na3Sb COD 1010292 P6_3/mmc (194) ✔ 8 64 1 0.2556 0.256 0.000 (0;000) ✗ 02/02/17
Tl4SiS4 ICSD 59170 Cc (9) ✗ 18 160 3 0.2559 0.160 1.000 ? ✗ 29/03/17
ZnAs2 ICSD 2021 P2_1/c (14) ✔ 24 176 3 0.2561 0.256 0.000 (0;000) ✗ 04/08/17
FeI2 COD 9009103 P-3m1 (164) ✔ 3 22 2 0.257 0.282 0.000 (0;000) ✗ 22/03/17
YSbPt ICSD 649578 F-43m (216) ✗ 3 26 3 0.2604 0.260 0.000 (0;000) ✔ 15/02/17
K2As2Pt ICSD 610762 Cmcm (63) ✔ 10 76 1 0.2624 0.291 0.000 (0;000) ✗ 30/01/17
MgB4 COD 1511477 Pnma (62) ✔ 20 88 3 0.2631 0.700 0.000 (0;000) ✗ 05/01/17
Bi2SeO2 ICSD 411143 I4/mmm (139) ✔ 5 48 3 0.2634 1.044 0.000 (0;000) ✗ 05/01/17
BiTeCl ICSD 79362 P6_3mc (186) ✗ 6 36 2 0.264 0.280 0.000 (0;000) ✔ 06/10/16
SnSe COD 9008296 Cmcm (63) ✔ 4 40 2 0.2641 0.265 0.000 (0;000) ✗ 27/01/17
SnSe ICSD 100673 Ccmm (63) ✔ 4 40 2 0.2641 0.265 0.000 (0;000) ✗ 06/10/16
SrLiN ICSD 87414 P4_2/mmc (131) ✔ 6 36 1 0.2644 0.825 0.000 (0;000) ✗ 27/01/17
BaYCuTe3 ICSD 88716 Cmcm (63) ✔ 12 100 2 0.2644 0.632 0.000 (0;000) ✗ 02/02/17
YCoO3 ICSD 155835 Pnma (62) ✔ 20 184 3 0.2653 0.266 0.000 (0;000) ✗ 02/02/17
K2Ga3 ICSD 160496 I4/mmm (139) ✔ 10 114 2 0.2658 0.382 0.000 (0;000) ✗ 02/02/17
Mg(BeAs)2 ICSD 609872 P-3m1 (164) ✔ 5 28 1 0.2659 2.239 0.000 (0;000) ✗ 05/01/17
AgBi2Se3Cl ICSD 412371 P2_1/m (11) ✔ 14 132 3 0.2659 0.583 0.000 (0;000) ✗ 30/01/17
Rb2PtI6 ICSD 37191 Fm-3m (225) ✔ 9 70 1 0.2675 0.453 0.000 (0;000) ✗ 02/02/17
GeTeRh ICSD 260373 Pbca (61) ✔ 24 216 3 0.2684 0.277 0.000 (0;000) ✗ 04/08/17
RbAg3S2 ICSD 1034 C2/m (12) ✔ 12 108 1 0.2691 0.292 0.000 (0;000) ✗ 30/01/17
CoAgO2 ICSD 246157 P6_3/mmc (194) ✔ 8 80 3 0.2692 0.483 0.000 (0;000) ✗ 05/01/17
Cs2Te3 ICSD 53245 Cmc2_1 (36) ✗ 10 72 1 0.2695 0.326 0.000 (0;000) ✔ 22/03/17
Bi2Se3 COD 9011965 R-3m (166) ✔ 5 48 2 0.2711 0.347 0.000 (1;000) ✗ 05/01/17
Ga2FeS4 COD 1524268 P-3m1 (164) ✔ 7 58 2 0.2722 0.428 0.000 (0;000) ✗ 27/01/17
Ca2HN ICSD 292 Fd-3m (227) ✔ 16 104 1 0.2723 0.278 0.000 (0;000) ✗ 02/02/17
Bi2Te2S COD 9008043 R-3m (166) ✔ 5 48 2 0.2724 0.346 0.000 (1;000) ✗ 05/01/17
Sr6GaN5 COD 4313276 P6_3/mcm (193) ✔ 24 196 1 0.2726 0.273 0.000 (0;000) ✗ 04/08/17
As3Ir COD 9016517 Im3 (204) ✔ 16 128 3 0.2733 0.273 0.000 (0;000) ✗ 30/01/17
ScNiSb ICSD 40296 F-43m (216) ✗ 3 26 3 0.2739 1.290 0.000 (0;000) ✔ 15/02/17
FeH4(ClO)2 COD 9012466 C2/m (12) ✔ 9 38 1 0.275 0.342 0.000 (0;000) ✗ 27/01/17
FeMoO4 ICSD 43012 C2/m (12) ✔ 24 184 3 0.2752 0.373 0.000 (0;000) ✗ 04/08/17
BiRhS ICSD 617013 P2_13 (198) ✗ 12 152 3 0.2752 0.801 0.000 (0;000) ✔ 24/04/17
LiMoS2 COD 1531962 P-1 (2) ✔ 16 116 3 0.2758 0.281 0.000 (0;000) ✗ 02/02/17
AlSiP3 ICSD 10032 Pnma (62) ✔ 20 88 3 0.276 1.258 0.000 (0;000) ✗ 30/01/17
NaFeF3 ICSD 68981 Pnma (62) ✔ 20 152 3 0.2762 0.277 0.000 (0;000) ✗ 02/02/17
CsSnCl3 ICSD 28082 Pm-3m (221) ✔ 5 44 3 0.2771 0.277 0.000 (0;000) ✗ 27/01/17
CaP ICSD 83352 P-62m (189) ✗ 12 90 1 0.2772 1.127 0.000 (0;000) ✔ 22/03/17
Li2FeS2 ICSD 632443 P-3m1 (164) ✔ 5 26 1 0.2773 0.277 0.000 (0;000) ✗ 27/01/17
Os(SeBr6)2 ICSD 182315 C2/m (12) ✔ 15 112 2 0.2779 0.389 0.000 (0;000) ✗ 02/02/17
GaCuSe2 ICSD 247513 I-42d (122) ✗ 8 72 3 0.2787 0.279 0.000 (0;000) ✔ 07/10/16
TlGaSe2 COD 7221239 I4/mcm (140) ✔ 8 76 1 0.2788 0.280 0.000 (0;000) ✗ 02/02/17
CoAgO2 ICSD 261608 P6_3/mmc (194) ✔ 16 160 3 0.279 0.450 0.000 (0;000) ✗ 05/01/17
Na3Cd2IrO6 COD 2002775 C2/m (12) ✔ 12 104 2 0.2796 0.306 0.000 (0;000) ✗ 27/01/17
InSiTe3 ICSD 66356 P-31m (162) ✔ 10 70 2 0.2799 0.602 0.000 (0;000) ✗ 02/02/17
Al2Os ICSD 58108 I4/mmm (139) ✔ 3 22 3 0.28 1.167 0.000 (0;000) ✗ 05/01/17
Bi2Te2Se ICSD 43512 R-3m (166) ✔ 5 48 2 0.2809 0.290 0.000 (1;000) ✗ 05/01/17
KAg2SbS4 ICSD 82143 I-42m (121) ✗ 8 60 3 0.2812 1.172 0.000 (0;000) ✔ 16/03/17
Cu(PtS2)2 ICSD 74894 P2/m (10) ✔ 14 110 3 0.2819 0.636 0.000 (0;000) ✗ 07/08/17
TiS3 COD 1520546 P2_1/m (11) ✔ 8 60 2 0.2822 0.309 0.000 (0;000) ✗ 27/01/17
InCuS2 ICSD 186714 I-42d (122) ✗ 8 72 3 0.2824 0.282 0.000 (0;000) ✔ 07/10/16
K3P ICSD 25550 P6_3/mmc (194) ✔ 8 64 1 0.2826 0.362 0.000 (0;000) ✗ 02/02/17
CdCu2SnS4 ICSD 619774 I-42m (121) ✗ 8 72 3 0.2835 0.284 0.000 (0;000) ✔ 15/02/17
SbRuSe ICSD 650594 P2_1/c (14) ✔ 12 108 3 0.2839 0.513 0.000 (0;000) ✗ 02/02/17
Sr2GaSbO6 ICSD 157019 Fm-3m (225) ✔ 10 74 3 0.2848 0.285 0.000 (0;000) ✗ 27/01/17
Ca6Ge2O ICSD 181078 Fm-3m (225) ✔ 9 74 1 0.2852 0.294 0.000 (0;000) ✗ 06/10/16
FeAs2 ICSD 41724 Pmnn (58) ✔ 6 36 3 0.2853 0.617 0.000 (0;000) ✗ 06/10/16
FeSe2 ICSD 25680 Pmnn (58) ✔ 6 40 3 0.2853 0.828 0.000 (0;000) ✗ 06/10/16
TiGeS3 COD 2236592 Pnma (62) ✔ 20 136 2 0.2854 0.340 0.000 (0;000) ✗ 02/02/17
LiBeB ICSD 191998 P3m1 (156) ✗ 12 40 1 0.2863 0.631 0.000 (0;000) ✔ 06/10/16
Sc2CdSe4 ICSD 620411 Fd-3m (227) ✔ 14 116 3 0.2863 0.286 0.000 (0;000) ✗ 02/02/17
FeAs2 COD 9012340 Pnnm (58) ✔ 6 36 3 0.2868 0.618 0.000 (0;000) ✗ 05/01/17
AgI COD 9011695 Fm-3m (225) ✔ 2 18 3 0.287 2.140 0.000 (0;000) ✗ 16/03/17
CS2 COD 9014813 P4_12_12 (92) ✗ 12 64 3 0.2875 0.641 0.000 (0;000) ✔ 11/04/17
KZnAs COD 7221178 P6_3/mmc (194) ✔ 6 52 2 0.2879 0.288 0.000 (0;000) ✗ 05/01/17
CdAs2 ICSD 16037 I4_122 (98) ✗ 6 44 3 0.2887 0.909 0.000 (0;000) ✔ 06/10/16
Cs2TeH6SO10 ICSD 93016 R3 (146) ✗ 20 96 2 0.2894 0.323 0.000 (0;000) ✔ 22/03/17
Cs2Te5 ICSD 36017 Cmcm (63) ✔ 14 96 1 0.2901 0.290 0.000 (0;000) ✗ 02/02/17
HfC ICSD 185992 F-43m (216) ✗ 2 16 3 0.2904 0.290 0.000 (0;000) ✔ 06/10/16
ZnCu2SnS4 ICSD 262388 I-4 (82) ✗ 8 72 3 0.2908 0.291 0.000 (0;000) ✔ 15/02/17
Bi2Se3 ICSD 165226 R-3m (166) ✔ 5 28 2 0.2932 0.375 0.000 (1;000) ✗ 06/10/16
TaTe4I ICSD 67533 P-1 (2) ✔ 12 88 3 0.2937 0.407 0.000 (0;000) ✗ 02/02/17
Sr(GaTe2)2 ICSD 41166 Cccm (66) ✔ 14 120 1 0.2939 0.500 0.000 (0;000) ✗ 02/02/17
KAg2AsO4 COD 8100228 I-42m (121) ✗ 8 60 3 0.2946 1.061 0.000 (0;000) ✔ 16/03/17
TlCu3S2 ICSD 23290 C2/m (12) ✔ 12 116 2 0.2949 0.429 0.000 (0;000) ✗ 02/02/17
Ba(P2Au)2 COD 4335202 Fddd (70) ✔ 14 104 3 0.2951 0.652 0.000 (0;000) ✗ 01/02/17
CuBr COD 9013934 Pa3 (205) ✔ 16 144 3 0.2961 0.296 0.000 (0;000) ✗ 02/02/17
ZrI2 ICSD 26418 P2_1/m (11) ✔ 12 72 2 0.2968 0.407 0.000 (0;000) ✗ 02/02/17
FeSe2 COD 9012125 Pnnm (58) ✔ 6 40 3 0.2989 0.802 0.000 (0;000) ✗ 27/01/17
AgSbO3 ICSD 245292 R-3 (148) ✔ 10 68 3 0.3004 0.300 0.000 (0;000) ✗ 05/01/17
TlInTe2 COD 1527853 I4/mcm (140) ✔ 8 76 1 0.3005 0.382 0.000 (0;000) ✗ 02/02/17
ZnGeAs2 ICSD 16735 I-42d (122) ✗ 8 52 3 0.3013 0.301 0.000 (0;000) ✔ 07/10/16
PtI3 ICSD 47120 C2/c (15) ✔ 16 124 3 0.302 0.302 0.000 (0;000) ✗ 02/02/17
YNiSb COD 1523479 F-43m (216) ✗ 3 26 3 0.3035 1.161 0.000 (0;000) ✔ 15/02/17
Rh2S3 COD 9007492 Pbcn (60) ✔ 20 208 3 0.3041 0.310 0.000 (0;000) ✗ 02/02/17
RbSb2 ICSD 419402 C2/m (12) ✔ 6 38 1 0.3062 0.713 0.000 (0;000) ✔ 02/02/17
Ga3Ru ICSD 412078 P4_2/mnm (136) ✔ 16 220 3 0.3066 0.673 0.000 (0;000) ✗ 02/02/17
KHgF3 COD 1527535 Pm-3m (221) ✔ 5 42 3 0.307 3.551 0.000 (0;000) ✗ 27/01/17
CuBr ICSD 23989 F-43m (216) ✗ 2 18 3 0.3072 0.310 0.000 (0;000) ✔ 06/10/16
Ge3Ru2 ICSD 95589 P-4c2 (116) ✗ 20 176 3 0.3075 0.314 0.000 (0;000) ✔ 24/04/17
Ca4Bi2O ICSD 416137 I4/mmm (139) ✔ 7 76 1 0.308 0.604 0.000 (0;000) ✗ 21/03/17
Ba(As3Pt2)2 ICSD 62519 C2/c (15) ✔ 22 160 3 0.308 0.368 0.000 (0;000) ✗ 04/08/17
Cu2GeS3 ICSD 85138 Cc (9) ✗ 12 88 3 0.3087 0.312 0.000 (0;000) ✔ 05/12/16
Rb2Ni3Se4 ICSD 646312 Fddd (70) ✔ 18 144 1 0.3088 0.394 0.000 (0;000) ✗ 02/02/17
Ba(CuSe)2 COD 1521196 I4/mmm (139) ✔ 5 44 2 0.3094 0.309 0.000 (0;000) ✗ 05/01/17
VCl5 ICSD 425146 P-1 (2) ✔ 12 96 1 0.3098 0.388 0.000 (0;000) ✗ 02/02/17
BiBr ICSD 1560 C2/m (12) ✔ 16 96 2 0.3125 0.313 0.000 (0;000) ✗ 06/10/16
As2Pt COD 9016654 Pa3 (205) ✔ 12 80 3 0.314 1.006 0.000 (0;000) ✗ 30/01/17
Cs2NiBi2 ICSD 658704 Cmcm (63) ✔ 10 116 3 0.3142 0.314 0.000 (0;000) ✗ 02/02/17
NbSbRu ICSD 83929 F-43m (216) ✗ 3 34 3 0.3146 1.279 0.000 (0;000) ✔ 15/02/17
Hg2SeO4 COD 1527304 P2/c (13) ✔ 14 108 3 0.3164 0.640 0.000 (0;000) ✗ 02/02/17
WNCl3 ICSD 165376 P-1 (2) ✔ 20 216 1 0.3167 0.317 0.000 (0;000) ✗ 11/04/17
SnSe ICSD 50558 P2_1/m (11) ✔ 4 40 2 0.3171 0.317 0.000 (0;000) ✗ 06/10/16
GeAs ICSD 610598 C2/m (12) ✔ 12 54 3 0.3183 0.347 0.000 (0;000) ✔ 06/10/16
CuBiSCl2 ICSD 413289 Cmcm (63) ✔ 10 92 2 0.319 0.337 0.000 (0;000) ✗ 02/02/17
Fe(BO2)2 ICSD 420403 C2/c (15) ✔ 14 76 3 0.3192 0.368 0.000 (0;000) ✗ 05/01/17
CuTe2Br ICSD 67252 P2_1/c (14) ✔ 16 120 2 0.3199 0.337 0.000 (0;000) ✗ 02/02/17
SnSe ICSD 52423 Cmcm (63) ✔ 4 40 2 0.3199 0.320 0.000 (0;000) ✗ 06/10/16
AgSbO3 COD 4336321 Fd-3m (227) ✔ 20 136 3 0.3204 0.320 0.000 (0;000) ✗ 30/01/17
Ca2Si ICSD 191034 Pnma (62) ✔ 12 96 1 0.3204 0.320 0.000 (0;000) ✗ 02/02/17
GaSb ICSD 190414 F-43m (216) ✗ 2 18 3 0.3208 0.324 0.000 (0;000) ✔ 06/10/16
SnSb4S7 COD 9015820 P2_1/m (11) ✔ 24 152 2 0.322 0.617 0.000 (0;000) ✗ 04/08/17
ZrSe3 ICSD 25621 P2_1/m (11) ✔ 8 60 2 0.3234 0.610 0.000 (0;000) ✔ 06/10/16
Sn2SbS2I3 ICSD 23344 Cmcm (63) ✔ 16 132 2 0.3236 0.363 0.000 (0;000) ✗ 02/02/17
CoP2 ICSD 38316 P2_1/c (14) ✔ 12 108 3 0.324 0.324 0.000 (0;000) ✔ 27/01/17
FeH2SO5 COD 2103101 C2/c (15) ✔ 18 92 3 0.3254 0.359 0.000 (0;000) ✗ 27/01/17
KSnSb ICSD 40816 P6_3mc (186) ✗ 6 56 1 0.3258 0.378 0.000 (0;000) ✔ 06/10/16
AgI ICSD 56557 P2_1/m (11) ✔ 4 36 3 0.3263 1.617 0.000 (0;000) ✔ 06/10/16
CrSi2 ICSD 96026 P6_422 (181) ✗ 9 66 3 0.3265 0.494 0.000 (0;000) ✔ 06/10/16
Si3NiP4 ICSD 39452 I-42m (121) ✗ 8 42 3 0.3269 0.532 0.000 (0;000) ✔ 07/10/16
Ba3ZnN2O ICSD 55536 P4/mmm (123) ✔ 7 58 1 0.3269 0.327 0.000 (0;000) ✗ 05/01/17
Tl2Cu2SnS4 COD 4000522 Ibam (72) ✔ 18 172 2 0.3271 0.656 0.000 (0;000) ✗ 02/02/17
Ba2ZrS4 ICSD 69853 I4/mmm (139) ✔ 7 48 2 0.3275 0.328 0.000 (0;000) ✗ 05/01/17
Mg(PtO2)3 ICSD 35340 Cmmm (65) ✔ 10 76 3 0.3278 0.359 0.000 (0;000) ✗ 27/01/17
CrSi2 ICSD 16836 P6_222 (180) ✗ 9 66 3 0.3285 0.492 0.000 (0;000) ✔ 06/10/16
Zr3N4 ICSD 191584 I-43d (220) ✗ 14 64 3 0.3285 0.329 0.000 (0;000) ✔ 15/02/17
SbTeRu ICSD 650595 P2_1/c (14) ✔ 12 108 3 0.3289 0.592 0.000 (0;000) ✗ 02/02/17
GeAs ICSD 86361 C2/m (12) ✔ 12 54 3 0.3292 0.355 0.000 (0;000) ✗ 30/01/17
LiGeTe2 ICSD 35676 P-1 (2) ✔ 24 114 1 0.3298 0.525 0.000 (0;000) ✗ 04/08/17
Sc4C3 ICSD 42760 I-43d (220) ✗ 14 112 3 0.3306 0.331 0.000 (0;000) ✔ 21/03/17
Ba3Sb2O COD 2011977 Pbam (55) ✔ 24 184 1 0.3331 0.455 0.000 (0;000) ✗ 04/08/17
Ca(ZnAs)2 COD 7221219 P-3m1 (164) ✔ 5 44 2 0.3342 0.334 0.000 (0;000) ✗ 05/01/17
VFeSb ICSD 53539 F-43m (216) ✗ 3 26 3 0.3352 0.888 0.000 (0;000) ✔ 15/02/17
Tl2Hg3Te4 COD 4000819 C2/c (15) ✔ 18 172 3 0.3354 0.335 0.000 (0;000) ✗ 29/03/17
ZnAs COD 4340531 Pbca (61) ✔ 16 136 3 0.3354 0.637 0.000 (0;000) ✗ 30/01/17
Sb2Te2Se COD 9007591 R-3m (166) ✔ 5 28 2 0.3356 0.346 0.000 (1;000) ✗ 27/01/17
Si ICSD 67775 P6_3/mmc (194) ✔ 4 16 3 0.3357 1.061 0.000 (0;000) ✗ 27/01/17
Sr(BiO2)2 ICSD 80668 C2/m (12) ✔ 14 128 1 0.3368 0.827 0.000 (0;000) ✗ 02/02/17
LiBi(PdO2)2 COD 1000075 P4/nmm (129) ✔ 16 156 3 0.3386 0.881 0.000 (0;000) ✗ 02/02/17
LiFeSO4F ICSD 182944 P-1 (2) ✔ 16 96 3 0.3415 0.363 0.000 (0;000) ✗ 27/01/17
Rb6AlSb3 ICSD 300217 P2_1/m (11) ✔ 20 144 1 0.3416 0.410 0.000 (0;000) ✗ 30/01/17
Ba5Ta4O15 COD 2106435 P-3m1 (164) ✔ 24 192 1 0.3425 0.343 0.000 (0;000) ✗ 04/08/17
CsCu5S3 COD 1531554 Pmma (51) ✔ 18 164 3 0.3429 0.361 0.000 (0;000) ✗ 02/02/17
HgO2 ICSD 24774 Pbca (61) ✔ 12 96 3 0.3438 0.816 0.000 (0;000) ✗ 27/01/17
ScAlCO ICSD 419683 R-3m (166) ✔ 8 48 3 0.3449 1.217 0.000 (0;000) ✗ 21/03/17
BaAs2 ICSD 414139 Pc (7) ✗ 18 120 1 0.3452 0.346 0.000 (0;000) ✔ 24/04/17
K5As2Au COD 1008878 P6_3/mmc (194) ✔ 16 132 1 0.3454 0.345 0.000 (0;000) ✗ 30/01/17
ZnCdTe2 ICSD 181019 I-42d (122) ✗ 8 72 3 0.3456 0.346 0.000 (0;000) ✔ 07/10/16
Rb4CO4 ICSD 245440 P-4 (81) ✗ 9 64 3 0.3459 0.577 0.000 (0;000) ✔ 06/10/16
FeP2 ICSD 633072 Pnnm (58) ✔ 6 36 3 0.3465 0.782 0.000 (0;000) ✗ 27/01/17
Ca2Ge ICSD 44854 Pnma (62) ✔ 12 96 1 0.3479 0.348 0.000 (0;000) ✗ 02/02/17
PtO2 ICSD 76431 P-3m1 (164) ✔ 3 22 2 0.3483 0.567 0.000 (0;000) ✗ 27/01/17
RbGeI3 ICSD 40216 Pm-3m (221) ✔ 5 34 3 0.349 0.349 0.000 (0;000) ✗ 02/02/17
K2Bi8Se13 ICSD 72976 P-1 (2) ✔ 23 216 3 0.3492 0.459 0.000 (0;000) ✗ 07/08/17
Bi4RuI2 ICSD 406949 I4/m (87) ✔ 14 180 2 0.3499 0.409 0.000 (0;000) ✗ 02/02/17
YPS ICSD 648080 Pnma (62) ✔ 24 176 3 0.3503 0.359 0.000 (0;000) ✗ 04/08/17
InAgO2 COD 1509397 R-3m (166) ✔ 4 36 3 0.352 1.070 0.000 (0;000) ✗ 05/01/17
KZnSb COD 7221375 P6_3/mmc (194) ✔ 6 52 2 0.3531 0.353 0.000 (0;000) ✗ 27/01/17
K2Ni3Se4 ICSD 641277 Fddd (70) ✔ 18 144 1 0.3535 0.461 0.000 (0;000) ✗ 02/02/17
NaNbO2 ICSD 73111 P6_3/mmc (194) ✔ 8 68 2 0.3537 1.376 0.000 (0;000) ✗ 27/01/17
FeSnF6 ICSD 25011 R-3 (148) ✔ 8 64 3 0.3545 0.381 0.000 (0;000) ✗ 27/01/17
Cu2HgI4 ICSD 30265 P-42m (111) ✗ 7 62 3 0.3564 0.393 0.000 (0;000) ✔ 07/10/16
SrHfN2 ICSD 82538 R-3m (166) ✔ 4 32 2 0.3566 0.857 0.000 (0;000) ✗ 27/01/17
KCu3Te2 COD 1525201 C2/m (12) ✔ 12 108 1 0.3579 0.358 0.000 (0;000) ✗ 02/02/17
Sr2Ge COD 1520914 Pnma (62) ✔ 12 96 1 0.3586 0.359 0.000 (0;000) ✗ 02/02/17
Rb2TeSe4 ICSD 650055 C2/m (12) ✔ 7 48 1 0.3592 0.566 0.000 (0;000) ✗ 02/02/17
SrGe2 ICSD 152799 Pnma (62) ✔ 24 144 1 0.3597 0.594 0.000 (0;000) ✗ 04/08/17
SrP3 ICSD 23628 C2/m (12) ✔ 16 100 1 0.3599 0.360 0.000 (0;000) ✗ 02/02/17
K3Sb COD 1010296 P6_3/mmc (194) ✔ 8 64 1 0.3606 0.361 0.000 (0;000) ✗ 02/02/17
Bi4RuBr2 ICSD 406951 C2/m (12) ✔ 14 180 2 0.3607 0.457 0.000 (0;000) ✗ 02/02/17
CuCl ICSD 23988 F-43m (216) ✗ 2 18 3 0.3607 0.361 0.000 (0;000) ✔ 06/10/16
Ba2FeWO6 ICSD 99061 Fm-3m (225) ✔ 10 78 3 0.3613 0.364 0.000 (0;000) ✗ 05/01/17
Na2Pd3O4 ICSD 6157 Immm (71) ✔ 9 96 3 0.3622 0.366 0.000 (0;000) ✗ 27/01/17
Te3As2 ICSD 18208 C2/m (12) ✔ 10 56 2 0.3627 0.397 0.000 (0;000) ✔ 06/10/16
Te3As2 COD 2310540 C2/m (12) ✔ 10 56 2 0.3628 0.398 0.000 (0;000) ✗ 30/01/17
Sr2Si COD 1520913 Pnma (62) ✔ 12 96 1 0.3629 0.363 0.000 (0;000) ✗ 02/02/17
KLi6IrO6 ICSD 61692 R-3m (166) ✔ 14 80 1 0.3634 0.475 0.000 (0;000) ✗ 27/01/17
Rb2As2Pt ICSD 107529 Cmcm (63) ✔ 10 76 1 0.364 0.394 0.000 (0;000) ✗ 30/01/17
CdSe ICSD 180931 F-43m (216) ✗ 2 18 3 0.3656 0.366 0.000 (0;000) ✔ 06/10/16
InRhO3 ICSD 237351 Pnma (62) ✔ 20 192 3 0.3662 0.493 0.000 (0;000) ✗ 02/02/17
BaTe2 ICSD 80280 I4/mcm (140) ✔ 6 44 1 0.3666 1.130 0.000 (0;000) ✗ 02/02/17
Sb2Os COD 9012562 Pnnm (58) ✔ 6 52 3 0.3674 0.980 0.000 (0;000) ✗ 27/01/17
GePbO3 ICSD 185700 Pm-3m (221) ✔ 5 36 3 0.3679 2.652 0.000 (0;000) ✗ 27/01/17
CoSbS COD 9004094 Pbca (61) ✔ 24 224 3 0.3684 0.396 0.000 (0;000) ✗ 04/08/17
P2Ru COD 9012557 Pnnm (58) ✔ 6 52 3 0.369 1.245 0.000 (0;000) ✗ 27/01/17
CuCl COD 9008865 P6_3mc (186) ✗ 4 36 3 0.3692 0.369 0.000 (0;000) ✔ 15/02/17
AgPbBrO ICSD 33913 P4/nmm (129) ✔ 8 76 3 0.3728 0.442 0.000 (0;000) ✗ 05/01/17
SiSn ICSD 184676 F-43m (216) ✗ 2 18 3 0.3735 1.360 0.000 (0;000) ✔ 06/10/16
CuBiS2 COD 9009502 Pnma (62) ✔ 16 152 3 0.3737 0.450 0.000 (0;000) ✗ 02/02/17
As2Rh ICSD 657340 P2_1/c (14) ✔ 12 108 3 0.3743 0.424 0.000 (0;000) ✗ 30/01/17
Rb2SnHgTe4 ICSD 262390 I-42m (121) ✗ 8 68 1 0.3755 0.886 0.000 (0;000) ✔ 29/03/17
K5CuAs2 COD 1008879 P6_3/mmc (194) ✔ 16 132 1 0.3772 0.473 0.000 (0;000) ✗ 30/01/17
BiOsSe ICSD 616892 P2_1/c (14) ✔ 12 148 3 0.3781 0.641 0.000 (0;000) ✗ 02/02/17
Cs2Sb COD 1526333 Pnma (62) ✔ 24 184 3 0.3786 0.493 0.000 (0;000) ✗ 04/08/17
CS2 COD 1527106 Cmce (64) ✔ 6 32 1 0.3787 0.877 0.000 (0;000) ✗ 27/01/17
CS2 ICSD 15672 Cmce (64) ✔ 6 32 1 0.3788 0.877 0.000 (0;000) ✗ 06/10/16
SiTePt ICSD 400487 Pbca (61) ✔ 24 160 3 0.379 0.609 0.000 (0;000) ✗ 04/08/17
AgBr ICSD 56549 P2_1/m (11) ✔ 4 36 3 0.3803 1.889 0.000 (0;000) ✔ 06/10/16
BaAl2(SiO4)2 ICSD 188056 P-3 (147) ✔ 13 72 3 0.3812 0.447 0.000 (0;000) ✗ 05/01/17
BaAg2SnS4 ICSD 41898 I222 (23) ✗ 8 70 3 0.3815 1.163 0.000 (0;000) ✔ 16/03/17
Ta2Tl3Cu3S8 ICSD 406210 C2 (5) ✗ 16 146 1 0.3824 0.101 1.000 ? ✗ 22/03/17
SrZrS3 ICSD 154103 Pnma (62) ✔ 20 128 2 0.3824 0.382 0.000 (0;000) ✗ 02/02/17
FeBr2 COD 9009102 P-3m1 (164) ✔ 3 22 2 0.3824 0.406 0.000 (0;000) ✗ 27/01/17
Y6NiI10 COD 2239531 P-1 (2) ✔ 17 146 3 0.3842 0.497 0.000 (0;000) ✗ 02/02/17
Os(SCl6)2 ICSD 74680 R-3m (166) ✔ 15 112 1 0.386 0.445 0.000 (0;000) ✗ 02/02/17
SrTaNO2 ICSD 411137 I4/mcm (140) ✔ 10 80 3 0.3862 0.386 0.000 (0;000) ✗ 27/01/17
Ba8Sb4H2O ICSD 415034 I4/mmm (139) ✔ 15 108 1 0.3874 0.387 0.000 (0;000) ✗ 21/03/17
GeTe ICSD 159907 R3m (160) ✗ 2 10 3 0.3876 0.455 0.000 (0;000) ✔ 06/10/16
NbTeI3 ICSD 35377 P2/c (13) ✔ 20 160 1 0.3895 0.477 0.000 (0;000) ✗ 02/02/17
NaNbSe2 ICSD 26287 P6_3/mmc (194) ✔ 8 68 2 0.3899 1.123 0.000 (0;000) ✗ 27/01/17
BaCu4S3 COD 1527568 Cmcm (63) ✔ 16 144 1 0.3901 0.626 0.000 (0;000) ✗ 02/02/17
Sn3As4 ICSD 163834 P-43m (215) ✗ 7 62 3 0.3902 0.463 0.000 (0;000) ✔ 06/10/16
InCu(PSe3)2 ICSD 71969 P-31c (163) ✔ 20 140 2 0.3908 0.423 0.000 (0;000) ✗ 02/02/17
Sr(InP)2 COD 2017324 P6_3/mmc (194) ✔ 10 92 2 0.3909 0.391 0.000 (0;000) ✗ 02/02/17
HfSnPd COD 1527754 F-43m (216) ✗ 3 44 3 0.3913 1.105 0.000 (0;000) ✔ 15/02/17
Cs3NaPb4 ICSD 411893 Cmcm (63) ✔ 16 184 1 0.3916 0.653 0.000 (0;000) ✗ 22/03/17
In2HgTe4 ICSD 25652 I-4 (82) ✗ 7 62 3 0.3925 0.393 0.000 (0;000) ✔ 06/10/16
KAuI4 COD 1510186 P2_1/c (14) ✔ 24 192 1 0.3927 0.397 0.000 (0;000) ✗ 04/08/17
CuBr COD 9008864 P6_3mc (186) ✗ 4 36 3 0.393 0.393 0.000 (0;000) ✔ 15/02/17
TaI4 ICSD 391406 P-1 (2) ✔ 20 164 1 0.3932 0.556 0.000 (0;000) ✗ 02/02/17
Si3As4 ICSD 163832 P-42m (111) ✗ 7 32 3 0.3934 0.501 0.000 (0;000) ✔ 06/10/16
InP ICSD 165466 F-43m (216) ✗ 2 18 3 0.3939 0.394 0.000 (0;000) ✔ 06/10/16
ZrC ICSD 183162 F-43m (216) ✗ 2 16 3 0.3943 0.467 0.000 (0;000) ✔ 06/10/16
TlInSe2 COD 1527852 I4/mcm (140) ✔ 8 76 1 0.3952 0.395 0.000 (0;000) ✗ 02/02/17
KFeCl3 COD 1524477 Pnma (62) ✔ 20 152 1 0.3958 0.444 0.000 (0;000) ✗ 02/02/17
GaCuTe2 ICSD 74456 I-42d (122) ✗ 8 72 3 0.396 0.396 0.000 (0;000) ✔ 22/03/17
Rb2As3 ICSD 409381 Fmmm (69) ✔ 10 66 1 0.3972 0.403 0.000 (0;000) ✗ 30/01/17
SrLiP ICSD 56443 P-6m2 (187) ✗ 3 18 1 0.3973 0.955 0.000 (0;000) ✔ 06/10/16
Cs2Ni3S4 ICSD 627055 Fmmm (69) ✔ 9 72 2 0.3986 0.478 0.000 (0;000) ✗ 02/02/17
MnP4 ICSD 100786 P-1 (2) ✔ 10 70 3 0.3988 0.496 0.000 (0;000) ✗ 06/10/16
Bi2MoO6 ICSD 37251 Cmce (64) ✔ 18 160 3 0.3995 0.401 0.000 (0;000) ✗ 02/02/17
Ba(InP)2 COD 2017325 P2_1/m (11) ✔ 20 184 1 0.3999 0.411 0.000 (0;000) ✗ 02/02/17
RbHgF3 COD 1527534 Pm-3m (221) ✔ 5 42 3 0.4004 3.302 0.000 (0;000) ✗ 27/01/17
As2Ru COD 9012558 Pnnm (58) ✔ 6 52 3 0.4005 1.052 0.000 (0;000) ✗ 05/01/17
FeP2 ICSD 15027 Pmnn (58) ✔ 6 36 3 0.4006 0.861 0.000 (0;000) ✗ 06/10/16
CsPbBr3 COD 1530681 Pm-3m (221) ✔ 5 44 3 0.401 0.401 0.000 (1;111) ✗ 21/03/17
Tl2O ICSD 77699 C2/m (12) ✔ 6 64 1 0.402 0.482 0.000 (0;000) ✔ 06/10/16
HfTl2Se3 COD 7019864 P2_1/m (11) ✔ 12 112 3 0.4025 0.553 0.000 (0;000) ✗ 02/02/17
WI3O ICSD 65183 P4_2/mnm (136) ✔ 20 220 2 0.4029 0.476 0.000 (0;000) ✗ 11/04/17
MnP4 COD 1524612 P-1 (2) ✔ 10 70 3 0.4031 0.499 0.000 (0;000) ✗ 27/01/17
LiCuO2 ICSD 74978 C2/m (12) ✔ 4 26 2 0.4034 0.819 0.000 (0;000) ✗ 27/01/17
V2Se9 ICSD 48145 C2/c (15) ✔ 22 160 2 0.4041 0.452 0.000 (0;000) ✗ 04/08/17
RuSe2 COD 9012406 Pa3 (205) ✔ 12 112 3 0.4043 0.707 0.000 (0;000) ✗ 02/02/17
ClO2 ICSD 180778 Pbca (61) ✔ 24 152 1 0.4052 0.405 0.000 (0;000) ✗ 04/08/17
SbOsS ICSD 647751 P2_1/c (14) ✔ 12 108 3 0.4054 0.748 0.000 (0;000) ✗ 02/02/17
FeCl2 COD 9009128 R-3m (166) ✔ 3 22 2 0.4056 0.438 0.000 (0;000) ✗ 27/01/17
FeSe2 ICSD 633475 Pa3 (205) ✔ 12 80 3 0.4059 0.485 0.000 (0;000) ✗ 27/01/17
K2ZrTe3 ICSD 410734 P2_1/c (14) ✔ 24 160 1 0.4061 0.409 0.000 (0;000) ✗ 04/08/17
Na4CO4 ICSD 245416 R3 (146) ✗ 9 64 3 0.4066 0.800 0.000 (0;000) ✔ 06/10/16
Ga2HgTe4 ICSD 53575 I-4 (82) ✗ 7 62 3 0.407 0.407 0.000 (0;000) ✔ 06/10/16
BiIrSe ICSD 616741 P2_13 (198) ✗ 12 152 3 0.4071 0.913 0.000 (0;000) ✔ 13/04/17
PtS COD 1011334 P4_2/mmc (131) ✔ 4 32 3 0.4074 0.407 0.000 (0;000) ✗ 27/01/17
Y6NiBr10 ICSD 424466 P-1 (2) ✔ 17 146 3 0.4074 0.493 0.000 (0;000) ✗ 02/02/17
Tl2Sn2S3 ICSD 33531 C2/c (15) ✔ 14 144 3 0.4087 0.450 0.000 (0;000) ✗ 02/02/17
Cs2PtI6 COD 1530777 Fm-3m (225) ✔ 9 70 1 0.4118 0.595 0.000 (0;000) ✗ 02/02/17
InAgS2 ICSD 156129 I-42d (122) ✗ 8 72 3 0.4129 0.413 0.000 (0;000) ✔ 07/10/16
RuOF4 ICSD 417249 P2_1/c (14) ✔ 24 200 3 0.4136 0.428 0.000 (0;000) ✗ 04/08/17
TlAgS ICSD 605754 Pnma (62) ✔ 12 120 3 0.4137 0.611 0.000 (0;000) ✗ 30/01/17
SrCaGe COD 1528698 Pnma (62) ✔ 12 96 1 0.414 0.433 0.000 (0;000) ✗ 02/02/17
LiIrF6 COD 1531409 R-3 (148) ✔ 8 62 1 0.415 0.552 0.000 (0;000) ✗ 27/01/17
BaZnPF COD 7203812 P4/nmm (129) ✔ 8 68 1 0.416 0.416 0.000 (0;000) ✗ 05/01/17
SrCaSi COD 1528697 Pnma (62) ✔ 12 96 1 0.4161 0.434 0.000 (0;000) ✗ 02/02/17
KSnAs ICSD 40815 Ccm2_1 (36) ✗ 6 56 0 0.4164 0.458 0.000 (0;000) ✔ 06/10/16
KSnAs ICSD 65413 P6_3mc (186) ✗ 6 56 1 0.4164 0.458 0.000 (0;000) ✔ 06/10/16
Ba2CdAs2 ICSD 422941 Cmc2_1 (36) ✗ 10 84 1 0.4169 0.417 0.000 (0;000) ✔ 28/11/16
Nb3TeI7 ICSD 86724 P3m1 (156) ✗ 11 94 2 0.4176 0.421 0.000 (0;000) ✔ 06/10/16
Li2FeBr4 ICSD 82199 Cmmm (65) ✔ 7 42 2 0.4178 0.418 0.000 (0;000) ✗ 27/01/17
SiB6 COD 1511645 Pm-3m (221) ✔ 7 22 3 0.4197 1.416 0.000 (0;000) ✗ 05/01/17
Tl2Te3 ICSD 410895 C2/c (15) ✔ 10 88 3 0.4198 0.587 0.000 (0;000) ✗ 02/02/17
In2HgTe4 ICSD 639056 I-4 (82) ✗ 7 62 3 0.4199 0.420 0.000 (0;000) ✔ 06/10/16
Tl2SnHgSe4 ICSD 247764 I-42m (121) ✗ 8 76 1 0.4214 0.421 0.000 (0;000) ✔ 29/03/17
Cs2NaAl3F12 COD 1000164 R-3m (166) ✔ 18 120 3 0.4217 0.565 0.000 (0;000) ✗ 30/01/17
Ba3Zr2S7 COD 2009500 I4/mmm (139) ✔ 12 80 2 0.4227 0.556 0.000 (0;000) ✗ 02/02/17
InSe ICSD 1884 R3m (160) ✗ 4 38 2 0.4229 0.424 0.000 (0;000) ✔ 06/10/16
TaTlS3 ICSD 412385 Pnma (62) ✔ 20 176 2 0.423 0.438 0.000 (0;000) ✗ 02/02/17
ScAgSe2 ICSD 155115 P-3m1 (164) ✔ 4 34 3 0.4242 1.112 0.000 (0;000) ✗ 05/01/17
TeI ICSD 108 C2/m (12) ✔ 8 52 2 0.4247 0.727 0.000 (0;000) ✔ 06/10/16
TeI COD 1527659 C2/m (12) ✔ 8 52 2 0.4248 0.727 0.000 (0;000) ✗ 02/02/17
ZnCd3Se4 ICSD 188386 P-43m (215) ✗ 8 72 3 0.425 0.425 0.000 (0;000) ✔ 06/10/16
KAgSe COD 1509424 P4/nmm (129) ✔ 6 52 2 0.4259 0.426 0.000 (0;000) ✗ 05/01/17
Bi2O3 ICSD 186365 P-3m1 (164) ✔ 5 48 3 0.4261 1.051 0.000 (0;000) ✗ 05/01/17
GaAs ICSD 107946 F-43m (216) ✗ 2 18 3 0.4268 0.427 0.000 (0;000) ✔ 06/10/16
Ba2ZnN2 COD 1005020 I4/mmm (139) ✔ 5 42 1 0.4276 0.537 0.000 (0;000) ✗ 05/01/17
Ba3P4 ICSD 38322 Fdd2 (43) ✗ 14 100 1 0.4285 0.429 0.000 (0;000) ✔ 13/04/17
WO3 ICSD 183408 Pm-3m (221) ✔ 4 32 3 0.4293 1.461 0.000 (0;000) ✗ 27/01/17
Ag3SI ICSD 159858 R3 (146) ✗ 5 46 3 0.4293 0.829 0.000 (0;000) ✔ 06/10/16
Ag3SI ICSD 174095 R3 (146) ✗ 5 46 3 0.4293 0.829 0.000 (0;000) ✔ 06/10/16
KCu3S2 COD 7221193 C2/m (12) ✔ 12 108 1 0.4298 0.463 0.000 (0;000) ✗ 02/02/17
Sb2Os ICSD 42611 Pmnn (58) ✔ 6 52 3 0.4307 0.991 0.000 (0;000) ✗ 06/10/16
BaLiSb COD 2200086 P6_3/mmc (194) ✔ 6 36 1 0.4311 0.643 0.000 (0;000) ✗ 05/01/17
TaCuS3 ICSD 62537 Pnma (62) ✔ 20 168 3 0.4313 0.442 0.000 (0;000) ✗ 02/02/17
BaYAgTe3 ICSD 88717 Cmcm (63) ✔ 12 100 1 0.4318 0.783 0.000 (0;000) ✗ 30/01/17
Sc2Se3 ICSD 651804 Fddd (70) ✔ 20 160 3 0.4329 0.473 0.000 (0;000) ✗ 29/03/17
NaCuTe COD 7221371 P4/nmm (129) ✔ 6 52 1 0.4336 0.434 0.000 (0;000) ✗ 27/01/17
InAg(PSe3)2 ICSD 71968 P-31c (163) ✔ 20 140 2 0.4336 0.556 0.000 (0;000) ✗ 30/01/17
CuBr ICSD 30091 P6_3/mmc (194) ✔ 4 36 3 0.4343 0.434 0.000 (0;000) ✔ 27/01/17
SrBiO3 COD 1008815 P2_1/c (14) ✔ 20 172 3 0.4344 1.142 0.000 (0;000) ✗ 02/02/17
TlInS2 ICSD 654688 P6_3/mmc (194) ✔ 8 76 2 0.4358 1.181 0.000 (0;000) ✗ 27/01/17
Hg2GeSe4 ICSD 59911 I-4 (82) ✗ 7 52 3 0.4365 0.437 0.000 (0;000) ✔ 06/10/16
ZrIN ICSD 190381 R-3m (166) ✔ 6 32 2 0.4372 1.429 0.000 (0;000) ✗ 30/01/17
CsAg3S2 COD 1509993 C2/m (12) ✔ 12 108 1 0.4373 0.437 0.000 (0;000) ✗ 30/01/17
BiRhO3 ICSD 188150 Pnma (62) ✔ 20 200 3 0.4398 0.625 0.000 (0;000) ✗ 02/02/17
Ag3SI ICSD 26450 R3 (146) ✗ 5 46 3 0.4408 1.001 0.000 (0;000) ✔ 28/11/16
InCuO2 COD 1521924 R-3m (166) ✔ 4 36 3 0.441 0.804 0.000 (0;000) ✗ 27/01/17
Rb3BrO ICSD 77196 Pm-3m (221) ✔ 5 40 1 0.4411 0.441 0.000 (0;000) ✗ 27/01/17
Cs2As3 ICSD 409382 Fmmm (69) ✔ 10 66 1 0.4415 0.442 0.000 (0;000) ✗ 30/01/17
Cs2Bi2Pd ICSD 658703 Cmcm (63) ✔ 10 132 3 0.4422 0.496 0.000 (0;000) ✗ 02/02/17
Ba4Hf3S10 ICSD 602359 I4/mmm (139) ✔ 17 136 2 0.4422 0.854 0.000 (0;000) ✗ 21/03/17
SiO2 ICSD 155241 P3_221 (154) ✗ 9 48 3 0.4447 1.658 0.000 (0;000) ✔ 15/02/17
Na3P COD 2207375 P6_3/mmc (194) ✔ 8 64 1 0.4447 0.445 0.000 (0;000) ✗ 27/01/17
Ca3N2 ICSD 169727 P-3m1 (164) ✔ 5 40 2 0.4458 0.504 0.000 (0;000) ✗ 27/01/17
Cu2O COD 9007497 Pn-3m (224) ✔ 6 56 3 0.4484 0.448 0.000 (0;000) ✗ 27/01/17
Hg2GeSe4 ICSD 636599 I-4 (82) ✗ 7 52 3 0.4485 0.449 0.000 (0;000) ✔ 06/10/16
BaTe ICSD 616162 Pm-3m (221) ✔ 2 16 1 0.4495 0.532 0.000 (0;000) ✗ 05/01/17
KCO3 COD 9010292 P2_1/c (14) ✔ 20 124 1 0.4508 0.493 0.000 (0;000) ✗ 02/02/17
BaLiAs ICSD 56445 P-6m2 (187) ✗ 3 18 1 0.4512 0.451 0.000 (0;000) ✔ 06/10/16
AgCl ICSD 31108 P4/mmm (123) ✔ 2 18 1 0.4513 0.682 0.000 (0;000) ✗ 05/01/17
CdP4 ICSD 620212 P2_1/c (14) ✔ 10 64 2 0.4513 0.519 0.000 (0;000) ✗ 02/02/17
LiIO3 ICSD 35473 P6_3 (173) ✗ 10 56 3 0.4522 0.636 0.000 (0;000) ✔ 29/11/16
NaHgCl3 ICSD 38302 Pnma (62) ✔ 20 168 1 0.4532 0.453 0.000 (0;000) ✗ 02/02/17
Sr2FeWO6 ICSD 153430 P2_1/c (14) ✔ 20 156 3 0.4533 0.457 0.000 (0;000) ✗ 02/02/17
Ta2O5 ICSD 280397 C2 (5) ✗ 7 56 3 0.4534 1.346 0.000 (0;000) ✔ 06/10/16
Y2CdSe4 ICSD 620457 Fd-3m (227) ✔ 14 116 3 0.4534 0.453 0.000 (0;000) ✗ 02/02/17
LiIO3 ICSD 35472 P6_3 (173) ✗ 10 56 3 0.4539 0.635 0.000 (0;000) ✔ 06/10/16
Hg2GeSe4 ICSD 96180 I-4 (82) ✗ 7 52 3 0.4544 0.454 0.000 (0;000) ✔ 06/10/16
Ag3SI ICSD 201005 R3 (146) ✗ 5 46 3 0.4545 1.022 0.000 (0;000) ✔ 28/11/16
Sr(P3Pt2)2 ICSD 62517 C2/c (15) ✔ 22 160 3 0.4578 0.637 0.000 (0;000) ✗ 07/08/17
GePtSe ICSD 2595 P2_1ab (29) ✗ 12 80 3 0.458 0.602 0.000 (0;000) ✔ 06/10/16
TiNiSn ICSD 174568 F-43m (216) ✗ 3 36 3 0.4583 1.126 0.000 (0;000) ✔ 15/02/17
KZn4P3 COD 4326070 R-3m (166) ✔ 8 72 2 0.4584 0.500 0.000 (0;000) ✗ 27/01/17
RbCu3S2 COD 8100809 C2/m (12) ✔ 12 108 1 0.4589 0.459 0.000 (0;000) ✗ 02/02/17
SrP ICSD 26262 P-62m (189) ✗ 12 90 1 0.4592 1.096 0.000 (0;000) ✔ 10/04/17
CdP4 ICSD 25605 P2_1/c (14) ✔ 10 64 2 0.4602 0.528 0.000 (0;000) ✔ 06/10/16
GaAgSe2 ICSD 156127 I-42d (122) ✗ 8 72 3 0.4613 0.465 0.000 (0;000) ✔ 07/10/16
VCu3Te4 ICSD 629351 P-43m (215) ✗ 8 70 3 0.4613 0.880 0.000 (0;000) ✔ 06/10/16
ScTlSe2 ICSD 418475 R-3m (166) ✔ 4 36 3 0.4619 1.083 0.000 (0;000) ✗ 27/01/17
PtN2 ICSD 157940 Pmnn (58) ✔ 6 40 3 0.4621 0.732 0.000 (0;000) ✗ 06/10/16
Rb2Ni3S4 ICSD 646311 Fmmm (69) ✔ 9 72 1 0.4636 0.610 0.000 (0;000) ✗ 27/01/17
SiO2 COD 4124079 P2/c (13) ✔ 12 64 3 0.4641 0.464 0.000 (0;000) ✗ 27/01/17
SrBiS2F ICSD 250892 P4/nmm (129) ✔ 10 88 1 0.4653 0.478 0.000 (0;000) ✗ 02/02/17
Ba(CuTe)2 ICSD 51444 Pnma (62) ✔ 20 176 3 0.4661 0.483 0.000 (0;000) ✗ 02/02/17
Ge COD 9011057 P4_32_12 (96) ✗ 12 48 3 0.4676 0.468 0.000 (0;000) ✔ 22/03/17
KSO4 COD 1010892 P-1 (2) ✔ 12 78 1 0.4677 0.523 0.000 (0;000) ✗ 27/01/17
Fe2P2O7 COD 4000291 P2_1/c (14) ✔ 22 136 3 0.4683 0.487 0.000 (0;000) ✗ 04/08/17
K4Ru2Cl10O ICSD 8054 I4/mmm (139) ✔ 17 144 1 0.4691 0.477 0.000 (0;000) ✗ 02/02/17
CuAgS COD 8103391 Cmcm (63) ✔ 6 56 3 0.4708 0.549 0.000 (0;000) ✗ 05/01/17
Rb4CO4 ICSD 245430 R3m (160) ✗ 9 64 1 0.472 0.532 0.000 (0;000) ✔ 06/10/16
LiAs COD 9008949 P2_1/c (14) ✔ 16 64 1 0.4721 0.668 0.000 (0;000) ✗ 30/01/17
K3AuO COD 1510209 Pm-3m (221) ✔ 5 44 1 0.4723 0.529 0.000 (0;000) ✗ 05/01/17
K3NO3 ICSD 37204 I4cm (108) ✗ 14 100 1 0.4742 0.571 0.000 (0;000) ✔ 29/03/17
CsTe4 ICSD 47182 P2_1/c (14) ✔ 20 132 3 0.4746 0.475 0.000 (0;000) ✗ 02/02/17
TlSbSe2 ICSD 36537 P2_1 (4) ✗ 16 120 3 0.475 0.475 0.000 (0;000) ✔ 11/04/17
LiBeSb ICSD 100114 P6_3mc (186) ✗ 6 24 1 0.477 0.920 0.000 (0;000) ✔ 06/10/16
PtO2 ICSD 202407 Pmnn (58) ✔ 6 44 3 0.4791 0.746 0.000 (0;000) ✗ 06/10/16
LiBeSb ICSD 616318 P6_3mc (186) ✗ 6 24 1 0.4792 0.920 0.000 (0;000) ✔ 06/10/16
Ag3SI ICSD 93431 R3 (146) ✗ 5 46 3 0.4794 0.925 0.000 (0;000) ✔ 06/10/16
Ca3BN3 COD 1511018 P4/mmm (123) ✔ 7 48 1 0.4803 0.491 0.000 (0;000) ✗ 05/01/17
Rb2ZrTe3 ICSD 410735 P2_1/c (14) ✔ 24 160 1 0.4805 0.481 0.000 (0;000) ✗ 04/08/17
LiSbS2 ICSD 427506 C2/c (15) ✔ 8 40 1 0.4822 0.520 0.000 (0;000) ✗ 27/01/17
HfTlCuSe3 ICSD 82563 Cmcm (63) ✔ 12 108 3 0.4825 0.512 0.000 (0;000) ✗ 02/02/17
NaLi2Sb ICSD 54244 Fm-3m (225) ✔ 4 20 1 0.483 1.512 0.000 (0;000) ✗ 27/01/17
KTe ICSD 73174 P6_3/mmc (194) ✔ 8 60 1 0.4835 0.484 0.000 (0;000) ✗ 02/02/17
NaHf2CuSe5 ICSD 98476 Cmcm (63) ✔ 18 148 1 0.4844 0.487 0.000 (0;000) ✗ 02/02/17
Ca(BC)2 ICSD 88019 I4/mcm (140) ✔ 10 48 2 0.4846 1.005 0.000 (0;000) ✗ 27/01/17
Hf2SN2 ICSD 250915 P-3m1 (164) ✔ 5 40 3 0.4848 1.577 0.000 (0;000) ✗ 27/01/17
LiBeB ICSD 191999 Im2m (44) ✗ 12 40 2 0.486 0.968 0.000 (0;000) ✔ 06/10/16
GeP ICSD 637492 C2/m (12) ✔ 12 54 3 0.4879 0.651 0.000 (0;000) ✗ 02/02/17
BaGe2 ICSD 409260 Pnma (62) ✔ 24 144 1 0.4882 0.617 0.000 (0;000) ✗ 04/08/17
CdSi(CuS2)2 ICSD 16924 Pmn2_1 (31) ✗ 16 124 3 0.4888 0.489 0.000 (0;000) ✔ 26/04/17
Ba(CuSe)2 COD 1521194 Pnma (62) ✔ 20 176 3 0.4905 0.491 0.000 (0;000) ✗ 02/02/17
PtS2 COD 5910085 P-3m1 (164) ✔ 3 22 2 0.4919 1.185 0.000 (0;000) ✗ 27/01/17
K2P2Pd COD 7221367 Cmcm (63) ✔ 10 92 2 0.4933 0.567 0.000 (0;000) ✗ 02/02/17
FeSbS COD 9000017 P2_1/c (14) ✔ 12 76 3 0.4941 0.589 0.000 (0;000) ✗ 27/01/17
V2O5 COD 9000091 C2/m (12) ✔ 7 56 2 0.4944 0.760 0.000 (0;000) ✗ 27/01/17
FeMoO4 ICSD 43013 C2/m (12) ✔ 24 184 3 0.4944 0.494 0.000 (0;000) ✗ 04/08/17
CuBSe2 ICSD 613591 I-42d (122) ✗ 8 52 3 0.4946 0.501 0.000 (0;000) ✔ 07/10/16
CdSe2 ICSD 620416 Pa3 (205) ✔ 12 96 3 0.4947 0.650 0.000 (0;000) ✗ 02/02/17
SnC ICSD 182365 F-43m (216) ✗ 2 18 3 0.4951 0.495 0.000 (0;000) ✔ 06/10/16
HgF2 COD 9009017 Fm-3m (225) ✔ 3 26 3 0.4966 0.497 0.000 (0;000) ✗ 27/01/17
FeCl2 COD 9014952 R-3m (166) ✔ 3 22 2 0.4967 0.504 0.000 (0;000) ✗ 27/01/17
SnSe ICSD 16997 Pmcn (62) ✔ 8 80 2 0.4969 0.652 0.000 (0;000) ✗ 06/10/16
SnSe COD 9008786 Pnma (62) ✔ 8 80 2 0.4969 0.652 0.000 (0;000) ✗ 02/02/17
SrLiSb COD 1528545 Pnma (62) ✔ 12 72 1 0.4973 0.497 0.000 (0;000) ✗ 02/02/17
VPO5 ICSD 77598 P4/n (85) ✔ 14 96 2 0.4974 0.497 0.000 (0;000) ✗ 27/01/17
Li3Sb COD 1011380 Fm-3m (225) ✔ 4 14 1 0.4978 2.071 0.000 (0;000) ✗ 27/01/17
Y6PdBr10 ICSD 424467 P-1 (2) ✔ 17 154 3 0.498 0.589 0.000 (0;000) ✗ 02/02/17
Ag2O3 COD 1509692 Fdd2 (43) ✗ 10 80 3 0.4982 0.687 0.000 (0;000) ✔ 16/03/17
SnSe ICSD 186650 Pmnb (62) ✔ 8 80 2 0.4992 0.652 0.000 (0;000) ✗ 06/10/16
LiAuI4 COD 1510187 P2_1/c (14) ✔ 12 84 1 0.4995 0.624 0.000 (0;000) ✗ 02/02/17
TaBi4ClO8 ICSD 59601 P4/mmm (123) ✔ 14 128 1 0.4995 1.233 0.000 (0;000) ✗ 02/02/17
SbTeOs ICSD 647762 P2_1/c (14) ✔ 12 108 3 0.5002 0.830 0.000 (0;000) ✗ 02/02/17
PRuS ICSD 648023 P2_1/c (14) ✔ 12 108 3 0.5007 0.858 0.000 (0;000) ✗ 27/01/17
TiFeO3 ICSD 79278 R3c (161) ✗ 10 76 3 0.5011 0.525 0.000 (0;000) ✗ 06/10/16
KCO3 COD 9010971 P2_1/c (14) ✔ 20 124 1 0.5021 0.560 0.000 (0;000) ✗ 02/02/17
CuSbSe2 ICSD 418754 Pnma (62) ✔ 16 112 3 0.5026 0.553 0.000 (0;000) ✗ 02/02/17
KSnAs ICSD 610765 P6_3mc (186) ✗ 6 56 1 0.5034 0.530 0.000 (0;000) ✗ 06/10/16
Cu2HgI4 ICSD 25591 I-42m (121) ✗ 7 62 3 0.5039 0.504 0.000 (0;000) ✗ 07/10/16
Tl2S ICSD 27464 P6_3/mmc (194) ✔ 6 64 1 0.5041 0.613 0.000 (0;000) ✗ 02/02/17
CdTe ICSD 67862 P3_121 (152) ✗ 6 54 3 0.5051 0.741 0.000 (0;000) ✗ 06/10/16
ZnCdSe2 ICSD 188387 P-4m2 (115) ✗ 4 36 3 0.5052 0.505 0.000 (0;000) ✗ 07/10/16
SiHgP2 ICSD 247969 I-42d (122) ✗ 8 52 3 0.507 0.507 0.000 (0;000) ✗ 07/10/16
AgBi2S3Cl ICSD 412372 P2_1/m (11) ✔ 14 132 3 0.5086 0.764 0.000 (0;000) ✗ 30/01/17
PdBr2 ICSD 27443 C2/c (15) ✔ 6 64 1 0.509 0.945 0.000 (0;000) ✗ 27/01/17
CoSbS ICSD 624862 P2_13 (198) ✗ 12 112 3 0.5093 0.743 0.000 (0;000) ✗ 15/02/17
AlAuO2 COD 1531586 P6_3/mmc (194) ✔ 8 52 3 0.5094 1.563 0.000 (0;000) ✗ 05/01/17
NaZrCuS3 ICSD 73887 Cmcm (63) ✔ 12 84 2 0.5112 0.542 0.000 (0;000) ✗ 02/02/17
Ag2HgS2 COD 9009717 P2_1/c (14) ✔ 10 92 3 0.5114 0.511 0.000 (0;000) ✗ 30/01/17
As2Se3 ICSD 611373 C2/m (12) ✔ 10 56 1 0.5143 0.533 0.000 (0;000) ✗ 30/01/17
NaInO2 ICSD 31932 R-3m (166) ✔ 4 34 3 0.5146 0.664 0.000 (0;000) ✗ 27/01/17
Sn3N4 ICSD 89525 Fd-3m (227) ✔ 14 124 3 0.5158 0.516 0.000 (0;000) ✗ 27/01/17
PRuSe ICSD 648028 P2_1/c (14) ✔ 12 108 3 0.5164 0.893 0.000 (0;000) ✗ 27/01/17
CuTe2Cl ICSD 641 P2_1/c (14) ✔ 16 120 2 0.517 0.717 0.000 (0;000) ✗ 02/02/17
Y2ZnS4 ICSD 651411 Fd-3m (227) ✔ 14 116 3 0.5177 0.518 0.000 (0;000) ✗ 02/02/17
LiZnAs ICSD 74504 F-43m (216) ✗ 3 20 3 0.5178 0.518 0.000 (0;000) ✗ 15/02/17
K2Te2Pd ICSD 641302 Immm (71) ✔ 5 48 3 0.5189 1.084 0.000 (0;000) ✗ 27/01/17
C COD 9014004 P6/mmm (191) ✔ 10 40 3 0.5198 1.862 0.000 (0;000) ✗ 27/01/17
K4CO4 ICSD 245421 Cm (8) ✗ 9 64 3 0.521 0.796 0.000 (0;000) ✗ 06/10/16
SiCu2Se3 ICSD 88236 Cc (9) ✗ 12 88 3 0.5213 0.523 0.000 (0;000) ✗ 06/10/16
Ba2YInTe5 ICSD 248944 Cmc2_1 (36) ✗ 18 148 1 0.5214 0.522 0.000 (0;000) ✗ 21/03/17
NiO2 COD 9016308 P-3m1 (164) ✔ 3 22 2 0.5221 0.662 0.000 (0;000) ✗ 27/01/17
Mg(BeP)2 ICSD 616328 P-3m1 (164) ✔ 5 28 1 0.5227 2.649 0.000 (0;000) ✗ 05/01/17
Nb(Te2I3)2 ICSD 78371 P-1 (2) ✔ 22 158 1 0.5229 0.606 0.000 (0;000) ✗ 07/08/17
FeS2 ICSD 15012 Pa3 (205) ✔ 12 80 3 0.5231 0.568 0.000 (0;000) ✗ 06/10/16
KNbSe2 ICSD 26288 P6_3/mmc (194) ✔ 8 68 2 0.5237 1.181 0.000 (0;000) ✗ 27/01/17
Ba2ZnAs2 COD 4315625 Ibam (72) ✔ 10 84 1 0.5241 0.632 0.000 (0;000) ✗ 30/01/17
NbTeBr3 ICSD 35376 P2/c (13) ✔ 20 160 1 0.5241 0.644 0.000 (0;000) ✗ 02/02/17
NbFeSb ICSD 83928 F-43m (216) ✗ 3 26 3 0.5254 1.135 0.000 (0;000) ✗ 15/02/17
Mg(AlSe2)2 ICSD 41926 R3m (160) ✗ 7 40 2 0.5255 0.526 0.000 (0;000) ✗ 06/10/16
RuC ICSD 181771 F-43m (216) ✗ 2 20 3 0.5257 0.839 0.000 (0;000) ✗ 06/10/16
K2PtI6 ICSD 37190 P4/mnc (128) ✔ 18 140 1 0.5268 0.605 0.000 (0;000) ✗ 02/02/17
Ba4As2O ICSD 33905 I4/mmm (139) ✔ 7 56 1 0.5273 0.527 0.000 (0;000) ✗ 30/01/17
Cs2PdI6 COD 4300058 I4/mmm (139) ✔ 9 78 1 0.5279 0.834 0.000 (0;000) ✗ 02/02/17
CdTe ICSD 108238 F-43m (216) ✗ 2 18 3 0.528 0.528 0.000 (0;000) ✗ 06/10/16
CO2 COD 9009242 Pbcn (60) ✔ 12 64 1 0.5282 0.795 0.000 (0;000) ✗ 27/01/17
Hf3Tl2(CuSe4)2 ICSD 81554 C2/m (12) ✔ 15 132 3 0.5285 0.641 0.000 (0;000) ✗ 02/02/17
As(IF3)2 ICSD 37001 C2/m (12) ✔ 18 122 1 0.5286 0.594 0.000 (0;000) ✗ 30/01/17
K5P2Au COD 1008880 P6_3/mmc (194) ✔ 16 132 1 0.5298 0.532 0.000 (0;000) ✗ 02/02/17
Y3Sb4Au3 COD 2105392 I-43d (220) ✗ 20 172 3 0.5301 0.673 0.000 (0;000) ✗ 21/03/17
NiP2 COD 1526196 C2/c (15) ✔ 6 40 3 0.5308 0.614 0.000 (0;000) ✗ 27/01/17
ZnSi(AgO2)2 ICSD 81327 Pc (7) ✗ 16 124 3 0.5309 0.677 0.000 (0;000) ✗ 16/03/17
SnS ICSD 156130 Pmnb (62) ✔ 8 80 3 0.531 0.656 0.000 (0;000) ✗ 06/10/16
TlAg3S2 COD 1510039 Pbcn (60) ✔ 24 232 3 0.5312 0.558 0.000 (0;000) ✗ 04/08/17
CsSb COD 7221397 P2_12_12_1 (19) ✗ 16 112 1 0.5327 0.536 0.000 (0;000) ✗ 22/03/17
CsClO4 COD 1010572 F-43m (216) ✗ 6 40 1 0.533 0.533 0.000 (0;000) ✗ 15/02/17
Zn(InS2)2 COD 7221365 Fd-3m (227) ✔ 14 124 3 0.5331 0.729 0.000 (0;000) ✗ 02/02/17
GaAg(PSe3)2 ICSD 71971 P-31c (163) ✔ 20 140 2 0.5331 0.564 0.000 (0;000) ✗ 30/01/17
NaAs ICSD 182158 P2_12_12_1 (19) ✗ 16 112 1 0.5339 0.608 0.000 (0;000) ✗ 21/03/17
CaFe(GeO3)2 ICSD 290257 C2/c (15) ✔ 20 124 3 0.5341 0.535 0.000 (0;000) ✗ 02/02/17
ZrS2 COD 5910006 P-3m1 (164) ✔ 3 16 2 0.535 1.254 0.000 (0;000) ✗ 27/01/17
NiP2 ICSD 27160 C2/c (15) ✔ 6 40 3 0.5384 0.618 0.000 (0;000) ✗ 06/10/16
Sr2FeWO6 ICSD 78678 Fm-3m (225) ✔ 10 78 3 0.5396 0.540 0.000 (0;000) ✗ 27/01/17
Sc4OsCl4 ICSD 421532 C2/c (15) ✔ 18 176 3 0.5396 0.584 0.000 (0;000) ✗ 02/02/17
KCuTe COD 7221373 P6_3/mmc (194) ✔ 6 52 2 0.5401 0.540 0.000 (0;000) ✗ 27/01/17
NaCuO2 COD 1529687 C2/m (12) ✔ 4 32 2 0.5401 0.941 0.000 (0;000) ✗ 27/01/17
Al2HgSe4 ICSD 608163 Fd-3m (227) ✔ 14 84 3 0.5405 0.541 0.000 (0;000) ✗ 30/01/17
ScSbPt ICSD 77948 F-43m (216) ✗ 3 26 3 0.5411 0.771 0.000 (0;000) ✗ 15/02/17
Ag2SeO4 COD 7209359 Fddd (70) ✔ 14 104 3 0.5429 0.563 0.000 (0;000) ✗ 30/01/17
FeCl2 COD 9015767 P-3m1 (164) ✔ 3 22 2 0.5433 0.550 0.000 (0;000) ✗ 27/01/17
Sr2CdAs2 ICSD 422940 Ccm2_1 (36) ✗ 10 84 1 0.5433 0.543 0.000 (0;000) ✗ 06/10/16
Ba(CuS)2 ICSD 615832 I4/mmm (139) ✔ 5 44 2 0.5441 0.544 0.000 (0;000) ✗ 05/01/17
Tl2Se3 ICSD 652069 C2/c (15) ✔ 10 88 1 0.546 0.716 0.000 (0;000) ✗ 02/02/17
P2Ru ICSD 42607 Pmnn (58) ✔ 6 52 3 0.5463 1.339 0.000 (0;000) ✗ 06/10/16
Ca(InP)2 COD 2017323 P6_3/mmc (194) ✔ 10 92 2 0.5469 0.684 0.000 (0;000) ✗ 02/02/17
AlBi2Se2BrCl4 ICSD 251017 P-1 (2) ✔ 20 160 2 0.5475 1.018 0.000 (0;000) ✗ 30/01/17
KZrCuS3 ICSD 80624 Cmcm (63) ✔ 12 84 1 0.5478 0.548 0.000 (0;000) ✗ 02/02/17
SbOsSe ICSD 647759 P2_1/c (14) ✔ 12 108 3 0.548 0.761 0.000 (0;000) ✗ 02/02/17
InP ICSD 180911 P6_3mc (186) ✗ 4 36 3 0.5486 0.549 0.000 (0;000) ✗ 06/10/16
Ba(AgTe)2 ICSD 246048 Pnma (62) ✔ 20 176 3 0.5488 0.549 0.000 (0;000) ✗ 16/03/17
TiNb3O6 ICSD 280002 R-3 (148) ✔ 20 174 3 0.5492 0.739 0.000 (0;000) ✗ 02/02/17
Sc2ZnS4 ICSD 650852 Fd-3m (227) ✔ 14 116 3 0.5497 0.550 0.000 (0;000) ✗ 02/02/17
In2S3 COD 7221366 R-3c (167) ✔ 10 88 3 0.5499 0.778 0.000 (0;000) ✗ 02/02/17
Na2AgSb COD 7209348 Cmcm (63) ✔ 8 68 1 0.5506 0.615 0.000 (0;000) ✗ 30/01/17
CdSi(CuSe2)2 ICSD 619783 Pmn2_1 (31) ✗ 16 124 3 0.5507 0.551 0.000 (0;000) ✗ 22/03/17
WO3 ICSD 67749 Pm-3m (221) ✔ 4 32 3 0.5514 1.584 0.000 (0;000) ✗ 27/01/17
MoS2N2Cl5 ICSD 47102 P-1 (2) ✔ 20 142 1 0.5529 0.644 0.000 (0;000) ✗ 02/02/17
CdSnP2 ICSD 22183 I-42d (122) ✗ 8 72 3 0.5533 0.553 0.000 (0;000) ✗ 07/10/16
InAgS2 COD 7209342 R-3m (166) ✔ 4 36 3 0.5537 0.696 0.000 (0;000) ✗ 05/01/17
Tl2CdTe4 ICSD 620549 I-4 (82) ✗ 7 62 3 0.5551 0.767 0.000 (0;000) ✗ 06/10/16
Y4OsBr4 ICSD 71513 C2/c (15) ✔ 18 176 3 0.5556 0.589 0.000 (0;000) ✗ 02/02/17
CsHgF3 COD 1527533 Pm-3m (221) ✔ 5 42 3 0.5586 2.703 0.000 (0;000) ✗ 27/01/17
Te2W ICSD 653170 P6_3/mmc (194) ✔ 6 52 2 0.5587 0.848 0.000 (0;000) ✗ 06/10/16
Ca2FeWO6 ICSD 81204 Pmm2 (25) ✗ 20 184 3 0.5589 0.594 0.000 (0;000) ✗ 11/04/17
CdSe ICSD 415786 P6_3mc (186) ✗ 4 36 3 0.5591 0.559 0.000 (0;000) ✗ 06/10/16
Cu3SbS4 ICSD 42672 Pmn2_1 (31) ✗ 16 124 3 0.5599 0.560 0.000 (0;000) ✗ 22/03/17
CdTe ICSD 150941 P6_3mc (186) ✗ 4 36 3 0.5613 0.561 0.000 (0;000) ✗ 06/10/16
NaFeF3 COD 4341415 Cmcm (63) ✔ 10 76 2 0.5613 0.591 0.000 (0;000) ✗ 27/01/17
TlInS2 ICSD 25354 R-3m (166) ✔ 4 38 2 0.5619 1.248 0.000 (0;000) ✗ 27/01/17
Ga2Os COD 1522721 Fddd (70) ✔ 6 84 3 0.5627 0.794 0.000 (0;000) ✗ 27/01/17
Ga2Os ICSD 103785 Fddd (70) ✔ 6 84 3 0.5627 0.794 0.000 (0;000) ✗ 06/10/16
OsO2F3 COD 4332767 Pc (7) ✗ 24 196 1 0.5633 0.583 0.000 (0;000) ✗ 04/08/17
Ta3SeI7 ICSD 82791 P6_3mc (186) ✗ 22 188 2 0.5635 0.581 0.000 (0;000) ✗ 04/08/17
InN ICSD 41501 Fm-3m (225) ✔ 2 18 3 0.5638 1.567 0.000 (0;000) ✗ 27/01/17
K2SnTe5 ICSD 36215 I4cm (108) ✗ 16 124 1 0.5639 0.565 0.000 (0;000) ✗ 29/03/17
Y6PtI10 ICSD 424468 P-1 (2) ✔ 17 146 3 0.5657 0.624 0.000 (0;000) ✗ 02/02/17
AgBr COD 9011682 Fm-3m (225) ✔ 2 18 3 0.5659 2.359 0.000 (0;000) ✗ 05/01/17
FeTeAs ICSD 610529 P2_1/c (14) ✔ 12 76 3 0.5659 0.631 0.000 (0;000) ✗ 30/01/17
Sr3GaN3 COD 4313275 P6_3/m (176) ✔ 14 116 1 0.5671 0.656 0.000 (0;000) ✗ 02/02/17
CuCl COD 9013927 Pa3 (205) ✔ 16 144 3 0.5672 0.567 0.000 (0;000) ✗ 02/02/17
SbTeI COD 1008205 C2/m (12) ✔ 6 36 2 0.5672 0.849 0.000 (0;000) ✗ 02/02/17
FeH2(CN2)2 ICSD 419222 Pnnm (58) ✔ 18 76 3 0.5694 0.765 0.000 (0;000) ✗ 27/01/17
NaSnP ICSD 409010 P6_3mc (186) ✗ 6 56 1 0.5734 1.173 0.000 (0;000) ✗ 06/10/16
Bi3Se4Br ICSD 411096 C2/m (12) ✔ 16 152 3 0.5735 0.606 0.000 (0;000) ✗ 02/02/17
BaAg2GeS4 ICSD 10040 I-42m (121) ✗ 8 60 3 0.5735 1.186 0.000 (0;000) ✗ 16/03/17
NbSeI3 ICSD 410743 C2/c (15) ✔ 20 160 2 0.5739 0.580 0.000 (0;000) ✗ 02/02/17
GeAs2 ICSD 610601 Pbam (55) ✔ 24 112 2 0.5739 0.682 0.000 (0;000) ✗ 04/08/17
Si COD 9013107 Fd-3m (227) ✔ 2 8 3 0.5742 2.519 0.000 (0;000) ✗ 27/01/17
RbSb COD 7221396 P2_12_12_1 (19) ✗ 16 112 1 0.5751 0.578 0.000 (0;000) ✗ 29/03/17
CdAg2GeS4 ICSD 152753 Pmn2_1 (31) ✗ 16 124 3 0.5754 0.575 0.000 (0;000) ✗ 16/03/17
CuH ICSD 44859 P6_3mc (186) ✗ 4 24 3 0.5757 1.488 0.000 (0;000) ✗ 06/10/16
Tl2SiHgSe4 ICSD 247763 I-42m (121) ✗ 8 66 3 0.5765 0.583 0.000 (0;000) ✗ 29/03/17
WO3 COD 1521533 P4/nmm (129) ✔ 8 92 3 0.5769 0.585 0.000 (0;000) ✗ 11/04/17
WO3 COD 1004057 P6/mmm (191) ✔ 12 96 3 0.5769 1.475 0.000 (0;000) ✗ 27/01/17
KNa2Sb ICSD 44332 Fm-3m (225) ✔ 4 32 1 0.5785 0.579 0.000 (0;000) ✗ 27/01/17
Rb2Te2Pd ICSD 648727 Immm (71) ✔ 5 48 1 0.5801 1.185 0.000 (0;000) ✗ 27/01/17
YTlTe2 ICSD 653098 R-3m (166) ✔ 4 36 3 0.5801 1.161 0.000 (0;000) ✗ 27/01/17
Sb(IF3)2 ICSD 63301 P-1 (2) ✔ 18 122 1 0.5805 0.635 0.000 (0;000) ✗ 02/02/17
KBa4Bi3O COD 2011038 I4/mcm (140) ✔ 18 200 1 0.5807 0.663 0.000 (0;000) ✗ 02/02/17
ZrTl2PbS4 ICSD 237507 C2/c (15) ✔ 16 136 3 0.5808 1.368 0.000 (0;000) ✗ 02/02/17
Ag2HgO2 COD 7109248 P4_32_12 (96) ✗ 20 184 3 0.581 0.581 0.000 (0;000) ✗ 16/03/17
Bi2Se3 COD 9013424 Pnma (62) ✔ 20 192 2 0.5823 0.586 0.000 (0;000) ✗ 02/02/17
Ag3SI COD 1510010 Pm-3m (221) ✔ 5 46 3 0.5828 0.818 0.000 (0;000) ✗ 30/01/17
Bi2SO2 ICSD 29451 Pnnm (58) ✔ 10 96 3 0.5844 0.953 0.000 (0;000) ✗ 05/01/17
Ta2SnO7 COD 9000194 C2/c (15) ✔ 20 164 3 0.5845 0.624 0.000 (0;000) ✗ 02/02/17
Na3As COD 1008538 Fm-3m (225) ✔ 4 32 1 0.5854 0.585 0.000 (0;000) ✗ 05/01/17
NaAlH4 ICSD 8022 I4_1/a (88) ✔ 12 32 1 0.5856 1.005 0.000 (0;000) ✗ 05/01/17
NaSe ICSD 43408 P6_3/mmc (194) ✔ 8 60 1 0.5859 0.586 0.000 (0;000) ✗ 02/02/17
NaTlO2 ICSD 33630 R-3m (166) ✔ 4 34 2 0.5868 0.737 0.000 (0;000) ✗ 27/01/17
Bi2Se3 ICSD 171571 Pmnb (62) ✔ 20 112 2 0.5886 0.597 0.000 (0;000) ✗ 06/10/16
Bi2Se3 ICSD 60205 Pmcn (62) ✔ 20 112 2 0.5886 0.597 0.000 (0;000) ✗ 06/10/16
In2HgSe4 ICSD 25649 I-4 (82) ✗ 7 62 3 0.5886 0.589 0.000 (0;000) ✗ 06/10/16
IrS2 ICSD 640950 Pnma (62) ✔ 24 232 3 0.5893 0.707 0.000 (0;000) ✗ 04/08/17
VAg3O4 ICSD 417470 I-42m (121) ✗ 8 70 3 0.5894 0.862 0.000 (0;000) ✗ 07/10/16
TePdI2 ICSD 409062 P-1 (2) ✔ 8 76 2 0.59 0.606 0.000 (0;000) ✗ 02/02/17
Ba2GeAs2 ICSD 35151 P2_1/c (14) ✔ 20 136 1 0.5906 0.728 0.000 (0;000) ✗ 30/01/17
TaSbRu ICSD 107123 F-43m (216) ✗ 3 34 3 0.5913 1.622 0.000 (0;000) ✗ 15/02/17
Rb2SnTe5 ICSD 40556 I4cm (108) ✗ 16 124 1 0.5921 0.592 0.000 (0;000) ✗ 29/03/17
Sr3As4 COD 7221205 Fdd2 (43) ✗ 14 100 1 0.5938 0.831 0.000 (0;000) ✗ 21/03/17
BiSeBr ICSD 76649 Pnma (62) ✔ 12 112 1 0.595 0.788 0.000 (0;000) ✗ 02/02/17
HfTl2PbS4 ICSD 237509 C2/c (15) ✔ 16 152 3 0.5954 1.532 0.000 (0;000) ✗ 02/02/17
SnS COD 9008295 Cmcm (63) ✔ 4 40 3 0.5955 0.596 0.000 (0;000) ✗ 27/01/17
SnS ICSD 100672 Ccmm (63) ✔ 4 40 3 0.5955 0.596 0.000 (0;000) ✗ 06/10/16
CuCl COD 9013928 Fm-3m (225) ✔ 2 18 3 0.5958 1.809 0.000 (0;000) ✗ 27/01/17
Sb2Ir ICSD 42620 P2_1/c (14) ✔ 12 108 3 0.5983 0.849 0.000 (0;000) ✗ 02/02/17
SrZnAsF ICSD 189934 P4/nmm (129) ✔ 8 68 1 0.5984 0.598 0.000 (0;000) ✗ 05/01/17
GeSe COD 1528768 Pnma (62) ✔ 8 40 2 0.5998 0.700 0.000 (0;000) ✗ 27/01/17
GeSe ICSD 17006 Pmcn (62) ✔ 8 40 2 0.5998 0.700 0.000 (0;000) ✗ 06/10/16
Cs2Ni3Se4 ICSD 33891 Fmmm (69) ✔ 9 72 1 0.6 0.806 0.000 (0;000) ✗ 02/02/17
Sr(InTe2)2 ICSD 41167 Cccm (66) ✔ 14 120 2 0.6006 1.136 0.000 (0;000) ✗ 02/02/17
K3MnCrO8 ICSD 26803 R3m (160) ✗ 13 104 1 0.6011 0.635 0.000 (0;000) ✗ 22/03/17
CsAgCl3 COD 1509779 I4/mmm (139) ✔ 10 82 2 0.6015 0.679 0.000 (0;000) ✗ 30/01/17
ZnO ICSD 162753 F-43m (216) ✗ 2 18 3 0.6019 0.602 0.000 (0;000) ✗ 06/10/16
NaNbS2 ICSD 26285 P6_3/mmc (194) ✔ 8 68 2 0.6029 1.331 0.000 (0;000) ✗ 27/01/17
SiO2 COD 4124081 P4_322 (95) ✗ 24 128 3 0.6038 0.604 0.000 (0;000) ✗ 04/08/17
ScAgSe2 ICSD 605797 P2_12_12_1 (19) ✗ 16 136 3 0.6045 0.607 0.000 (0;000) ✗ 16/03/17
SiO2 COD 4124070 Pban (50) ✔ 24 128 3 0.6054 0.903 0.000 (0;000) ✗ 04/08/17
Zr2SN2 COD 4124522 P-3m1 (164) ✔ 5 24 3 0.6062 1.069 0.000 (0;000) ✗ 27/01/17
ZnTe ICSD 184488 P6_422 (181) ✗ 6 54 3 0.6079 0.689 0.000 (0;000) ✗ 06/10/16
Na2CuAs ICSD 43937 Cmcm (63) ✔ 8 68 1 0.6081 0.674 0.000 (0;000) ✗ 05/01/17
Ba(MgSb)2 COD 7221202 P-3m1 (164) ✔ 5 40 2 0.6084 1.317 0.000 (0;000) ✗ 05/01/17
Bi2S3 COD 9007404 Pnma (62) ✔ 20 192 3 0.6092 0.630 0.000 (0;000) ✗ 02/02/17
Rb2Pd(IBr2)2 ICSD 412835 I4/mmm (139) ✔ 9 78 1 0.6102 0.941 0.000 (0;000) ✗ 02/02/17
NaSb COD 9008950 P2_1/c (14) ✔ 16 112 1 0.6112 0.614 0.000 (0;000) ✗ 02/02/17
ZrFeF6 ICSD 100301 Fm-3m (225) ✔ 8 54 3 0.612 0.617 0.000 (0;000) ✗ 27/01/17
K3Sb ICSD 44677 Fm-3m (225) ✔ 4 32 1 0.6121 0.612 0.000 (0;000) ✗ 27/01/17
K3Sb ICSD 641351 Fm-3m (225) ✔ 4 32 1 0.6121 0.612 0.000 (0;000) ✗ 06/10/16
AgP2 COD 1509504 P2_1/c (14) ✔ 12 84 2 0.6145 0.626 0.000 (0;000) ✗ 30/01/17
LiBiO2 ICSD 25385 P4/nmm (129) ✔ 8 60 2 0.6159 0.618 0.000 (0;000) ✗ 02/02/17
Rb7Au5O2 COD 1510569 Immm (71) ✔ 14 130 3 0.6181 0.687 0.000 (0;000) ✗ 21/03/17
RbCuTe COD 4124306 Pnma (62) ✔ 12 104 2 0.6184 0.618 0.000 (0;000) ✗ 02/02/17
Ag3AsS4 COD 1509825 Pmn2_1 (31) ✗ 16 124 3 0.619 0.619 0.000 (0;000) ✗ 16/03/17
N2O5 ICSD 30638 P6_3/mmc (194) ✔ 14 80 1 0.6197 0.738 0.000 (0;000) ✗ 27/01/17
BaP3 ICSD 23618 C2/m (12) ✔ 8 50 1 0.6198 0.781 0.000 (0;000) ✗ 05/01/17
AgP2 ICSD 35283 P2_1/c (14) ✔ 12 84 2 0.6204 0.634 0.000 (0;000) ✗ 06/10/16
In6Ga2PtO8 ICSD 411505 Fm-3m (225) ✔ 17 162 3 0.6207 0.634 0.000 (0;000) ✗ 02/02/17
ZrTlCuS3 ICSD 82560 Cmcm (63) ✔ 12 92 3 0.6218 0.636 0.000 (0;000) ✗ 02/02/17
Na2CuP COD 7221368 Cmcm (63) ✔ 8 68 1 0.6224 0.756 0.000 (0;000) ✗ 27/01/17
CuAgS ICSD 66580 Ccm2_1 (36) ✗ 6 56 3 0.6245 0.780 0.000 (0;000) ✗ 06/10/16
Ca2FeWO6 ICSD 81203 Fm-3m (225) ✔ 10 78 3 0.625 0.627 0.000 (0;000) ✗ 27/01/17
Ca(BeAs)2 ICSD 609867 P-3m1 (164) ✔ 5 28 1 0.6261 1.262 0.000 (0;000) ✗ 05/01/17
PdF4 ICSD 1555 F2dd (43) ✗ 10 76 3 0.6264 0.669 0.000 (0;000) ✗ 06/10/16
InSe ICSD 640503 P-6m2 (187) ✗ 8 76 2 0.6264 0.626 0.000 (0;000) ✗ 06/10/16
Rb4Br2O ICSD 411954 I4/mmm (139) ✔ 7 56 1 0.6273 0.627 0.000 (0;000) ✗ 02/02/17
Cs2Bi2Pt ICSD 658701 Cmcm (63) ✔ 10 116 3 0.6288 0.810 0.000 (0;000) ✗ 02/02/17
SiCu2HgS4 ICSD 627928 Pmn2_1 (31) ✗ 16 124 3 0.6297 0.630 0.000 (0;000) ✗ 22/03/17
Cd3SiO5 ICSD 23170 P4/nmm (129) ✔ 18 140 3 0.6298 0.630 0.000 (0;000) ✗ 02/02/17
WBr6 ICSD 62048 R-3 (148) ✔ 7 56 1 0.6302 0.630 0.000 (0;000) ✗ 02/02/17
Zn3CdSe4 ICSD 188388 P-43m (215) ✗ 8 72 3 0.6307 0.631 0.000 (0;000) ✗ 06/10/16
PbF3 ICSD 23467 P-4c2 (116) ✗ 16 140 3 0.6313 0.631 0.000 (0;000) ✗ 22/03/17
Li2NiO2 ICSD 25000 Immm (71) ✔ 5 28 1 0.6319 1.114 0.000 (0;000) ✗ 27/01/17
Ca(MgSb)2 COD 7221200 P-3m1 (164) ✔ 5 40 2 0.6319 1.298 0.000 (0;000) ✗ 27/01/17
AgClO2 COD 2310062 Cmme (67) ✔ 8 60 2 0.632 0.632 0.000 (0;000) ✗ 05/01/17
Sr3(InP2)2 ICSD 61335 Pnnm (58) ✔ 18 152 1 0.6327 0.633 0.000 (0;000) ✗ 02/02/17
Sn2S3 COD 2310450 Pnma (62) ✔ 20 184 2 0.6328 0.730 0.000 (0;000) ✗ 02/02/17
VS2Br2N3 ICSD 61088 P-1 (2) ✔ 16 108 1 0.633 0.645 0.000 (0;000) ✗ 02/02/17
AgCl COD 9011680 Cmcm (63) ✔ 4 36 3 0.6339 1.812 0.000 (0;000) ✗ 05/01/17
AgCl ICSD 56544 Ccmm (63) ✔ 4 36 3 0.6341 1.745 0.000 (0;000) ✗ 06/10/16
BaLiP ICSD 56444 P-6m2 (187) ✗ 3 18 1 0.6342 0.634 0.000 (0;000) ✗ 06/10/16
VCuO3 COD 1530636 R-3 (148) ✔ 10 84 3 0.6355 0.683 0.000 (0;000) ✗ 27/01/17
Si3P2Pt ICSD 84944 P1 (1) ✗ 12 64 3 0.6365 1.195 0.000 (0;000) ✗ 06/10/16
NbSeBr3 ICSD 75362 P2/c (13) ✔ 20 160 1 0.6371 0.769 0.000 (0;000) ✗ 02/02/17
K2Y4Cu4Se9 ICSD 174375 C2/m (12) ✔ 19 160 3 0.6382 0.850 0.000 (0;000) ✗ 02/02/17
Cs2Sb2Pd ICSD 658702 Cmcm (63) ✔ 10 92 3 0.6383 0.788 0.000 (0;000) ✗ 02/02/17
BiIrS ICSD 616740 P2_13 (198) ✗ 12 152 3 0.6388 1.147 0.000 (0;000) ✗ 21/03/17
BSb ICSD 184571 F-43m (216) ✗ 2 8 3 0.6393 2.485 0.000 (0;000) ✗ 06/10/16
NClO4 COD 9015684 Pnma (62) ✔ 24 144 1 0.6394 0.645 0.000 (0;000) ✗ 04/08/17
As2Os COD 9012561 Pnnm (58) ✔ 6 52 3 0.6395 1.158 0.000 (0;000) ✗ 05/01/17
RbAuI3 COD 2206809 C2/m (12) ✔ 10 82 1 0.64 0.778 0.000 (0;000) ✗ 02/02/17
AgCl COD 9011674 P2_1/m (11) ✔ 4 36 3 0.6411 2.372 0.000 (0;000) ✗ 05/01/17
Li6FeCl8 ICSD 73217 Fm-3m (225) ✔ 15 82 2 0.6417 0.642 0.000 (0;000) ✗ 02/02/17
ZnP4 ICSD 40428 P4_12_12 (92) ✗ 20 128 3 0.6427 0.857 0.000 (0;000) ✗ 29/03/17
CdCu2GeS4 ICSD 26150 Pmn2_1 (31) ✗ 16 124 3 0.6433 0.644 0.000 (0;000) ✗ 22/03/17
K2NiP2 ICSD 300119 Cmcm (63) ✔ 10 76 1 0.6435 0.658 0.000 (0;000) ✗ 02/02/17
Rb2Te3 COD 1520875 Pnma (62) ✔ 20 144 1 0.6435 0.755 0.000 (0;000) ✗ 02/02/17
PdSeO3 ICSD 415955 C2/m (12) ✔ 10 84 2 0.6437 0.644 0.000 (0;000) ✗ 27/01/17
BaO2 ICSD 180398 Cmmm (65) ✔ 3 22 2 0.6441 1.164 0.000 (0;000) ✗ 05/01/17
LiZnN COD 1528616 F-43m (216) ✗ 3 20 3 0.6469 0.647 0.000 (0;000) ✗ 15/02/17
GeSe ICSD 637852 Pmnb (62) ✔ 8 40 2 0.6476 0.829 0.000 (0;000) ✗ 06/10/16
Ag2CO3 COD 1007035 P2_1/m (11) ✔ 12 88 3 0.6496 1.356 0.000 (0;000) ✗ 27/01/17
YN ICSD 161079 P6_3/mmc (194) ✔ 4 32 3 0.6511 0.930 0.000 (0;000) ✗ 06/10/16
CdHgAsBr ICSD 240354 Pmma (51) ✔ 16 144 3 0.6512 0.918 0.000 (0;000) ✗ 21/03/17
HgSe ICSD 639202 P3_221 (154) ✗ 6 54 3 0.6513 0.710 0.000 (0;000) ✗ 06/10/16
ZnCu2GeS4 ICSD 61693 I-42m (121) ✗ 8 62 3 0.6521 0.652 0.000 (0;000) ✗ 15/02/17
BaSi2 COD 1526653 Pnma (62) ✔ 24 144 1 0.6531 0.771 0.000 (0;000) ✗ 04/08/17
As2Os ICSD 42610 Pmnn (58) ✔ 6 52 3 0.6535 1.171 0.000 (0;000) ✗ 06/10/16
CsPbBr3 COD 4510745 Pnma (62) ✔ 20 176 3 0.6539 0.654 0.000 (0;000) ✗ 02/02/17
InS ICSD 15931 Pnnm (58) ✔ 8 76 3 0.6548 1.429 0.000 (0;000) ✗ 27/01/17
TiNCl ICSD 261525 Pmmn (59) ✔ 6 48 2 0.6554 0.655 0.000 (0;000) ✗ 27/01/17
SiB4 ICSD 615435 R-3m (166) ✔ 15 48 3 0.6561 1.387 0.000 (0;000) ✗ 05/01/17
ZnCu2SiSe4 ICSD 629079 Pmn2_1 (31) ✗ 16 124 3 0.6565 0.657 0.000 (0;000) ✗ 22/03/17
Rb5Au3O2 COD 1510508 Pbam (55) ✔ 20 180 1 0.6586 0.689 0.000 (0;000) ✗ 21/03/17
SnS COD 9008785 Pnma (62) ✔ 8 80 3 0.6586 0.838 0.000 (0;000) ✗ 27/01/17
Tl2SnS3 ICSD 48152 C2/m (12) ✔ 12 116 1 0.6589 0.884 0.000 (0;000) ✗ 02/02/17
VS2N3Cl2 ICSD 30742 P-1 (2) ✔ 16 108 1 0.6592 0.684 0.000 (0;000) ✗ 02/02/17
ZrTl2S3 COD 7019865 P2_1/m (11) ✔ 12 96 3 0.6608 0.670 0.000 (0;000) ✗ 02/02/17
Te3(PdBr)4 ICSD 418003 P-1 (2) ✔ 22 236 3 0.6609 0.785 0.000 (0;000) ✗ 07/08/17
SiPtSe ICSD 649595 P2_1ab (29) ✗ 12 80 3 0.661 0.803 0.000 (0;000) ✗ 06/10/16
Ba3Ir(CN)3 ICSD 424762 P6_3/m (176) ✔ 20 148 1 0.6652 1.246 0.000 (0;000) ✗ 02/02/17
Nb2Se9 ICSD 645386 P-1 (2) ✔ 22 160 3 0.6652 0.741 0.000 (0;000) ✗ 04/08/17
Cs2NaCoF6 ICSD 42157 R-3m (166) ✔ 20 172 2 0.666 0.668 0.000 (0;000) ✗ 02/02/17
HfIN ICSD 190384 R-3m (166) ✔ 6 48 2 0.6678 1.802 0.000 (0;000) ✗ 29/03/17
In2HgS4 COD 9012324 Fd-3m (227) ✔ 14 124 3 0.6681 0.867 0.000 (0;000) ✗ 02/02/17
MgP4 COD 1528274 P2_1/c (14) ✔ 10 60 1 0.6681 0.668 0.000 (0;000) ✗ 27/01/17
PbSe ICSD 648514 Pnma (62) ✔ 8 80 3 0.6688 0.905 0.000 (0;000) ✗ 02/02/17
K4CdAs2 COD 1008853 R-3m (166) ✔ 7 58 1 0.6689 0.691 0.000 (0;000) ✗ 30/01/17
Sr2ZnCu2(SO)2 ICSD 84735 I4/mmm (139) ✔ 9 78 3 0.6692 1.036 0.000 (0;000) ✗ 27/01/17
K2NaInAs2 ICSD 300137 Ibam (72) ✔ 12 100 1 0.6694 0.669 0.000 (0;000) ✗ 30/01/17
Te6IrCl3 ICSD 423672 R-3c (167) ✔ 20 148 3 0.6694 0.873 0.000 (0;000) ✗ 02/02/17
K2FeH4(SO5)2 ICSD 87958 P-1 (2) ✔ 19 102 2 0.6694 0.669 0.000 (0;000) ✗ 02/02/17
YAgTe2 ICSD 154792 P-42_1m (113) ✗ 8 68 3 0.6696 0.692 0.000 (0;000) ✗ 07/10/16
P2Rh ICSD 42615 P2_1/c (14) ✔ 12 108 3 0.6698 0.670 0.000 (0;000) ✗ 27/01/17
RbAs ICSD 412594 P2_12_12_1 (19) ✗ 16 112 1 0.67 0.670 0.000 (0;000) ✗ 21/03/17
OsOF4 ICSD 417246 P2_1/c (14) ✔ 24 200 1 0.67 0.670 0.000 (0;000) ✗ 04/08/17
V4Ag2O11 COD 1509687 C2/m (12) ✔ 17 140 3 0.6709 0.911 0.000 (0;000) ✗ 30/01/17
ZnGeO3 ICSD 183725 R3c (161) ✗ 10 68 3 0.6709 0.671 0.000 (0;000) ✗ 06/10/16
Ca6GaN5 ICSD 33795 P6_3/mcm (193) ✔ 24 196 1 0.6712 0.779 0.000 (0;000) ✗ 04/08/17
PdI2 ICSD 23169 Pnnm (58) ✔ 6 64 1 0.6718 0.969 0.000 (0;000) ✗ 02/02/17
CsTaI6 ICSD 418487 C2/c (15) ✔ 16 128 1 0.6727 0.680 0.000 (0;000) ✗ 02/02/17
GaAgO2 COD 1509345 P6_3/mmc (194) ✔ 8 72 3 0.6743 1.783 0.000 (0;000) ✗ 05/01/17
MgP4 ICSD 113 P2_1/c (14) ✔ 10 60 1 0.6744 0.674 0.000 (0;000) ✗ 06/10/16
Te2Mo COD 9009147 P6_3/mmc (194) ✔ 6 52 2 0.6746 0.974 0.000 (0;000) ✗ 27/01/17
TlInS2 ICSD 600748 I4/mcm (140) ✔ 8 76 1 0.6757 0.676 0.000 (0;000) ✗ 02/02/17
KAuI3 COD 7209388 P2_1/c (14) ✔ 20 164 2 0.6758 0.676 0.000 (0;000) ✗ 02/02/17
Ca3VN3 COD 1005013 Cmcm (63) ✔ 14 116 1 0.6765 0.984 0.000 (0;000) ✗ 02/02/17
ZnCu2GeS4 ICSD 627793 Pmn2_1 (31) ✗ 16 124 3 0.677 0.677 0.000 (0;000) ✗ 22/03/17
K2As2Pd ICSD 32009 Cmcm (63) ✔ 10 92 1 0.6777 0.686 0.000 (0;000) ✗ 30/01/17
BiI3 ICSD 187607 P2_1/c (14) ✔ 16 104 2 0.6786 0.679 0.000 (0;000) ✗ 06/10/16
In5Se5Br ICSD 414218 Pmn2_1 (31) ✗ 22 204 3 0.6795 0.833 0.000 (0;000) ✗ 07/08/17
PtCl2 ICSD 28527 R-3m (166) ✔ 18 144 2 0.6796 0.680 0.000 (0;000) ✗ 02/02/17
Sr2ZnN2 COD 1005019 I4/mmm (139) ✔ 5 42 1 0.6805 0.681 0.000 (0;000) ✗ 27/01/17
KYTe2 ICSD 419995 R-3m (166) ✔ 4 32 3 0.682 1.760 0.000 (0;000) ✗ 27/01/17
ReSe2 ICSD 66658 P-1 (2) ✔ 12 108 2 0.6829 0.814 0.000 (0;000) ✗ 06/10/16
ReSe2 ICSD 650094 P-1 (2) ✔ 12 108 2 0.683 0.811 0.000 (0;000) ✗ 02/02/17
Ca3AsN ICSD 56968 Pm-3m (221) ✔ 5 40 1 0.6838 0.684 0.000 (0;000) ✗ 05/01/17
NaAg3O2 COD 7209379 Ibam (72) ✔ 12 108 3 0.6845 0.685 0.000 (0;000) ✗ 05/01/17
AgCl ICSD 56541 P2_1/m (11) ✔ 4 36 3 0.6845 2.523 0.000 (0;000) ✗ 06/10/16
MgSiP2 ICSD 642734 I-42d (122) ✗ 8 48 3 0.6848 0.746 0.000 (0;000) ✗ 15/02/17
GaAs ICSD 190423 P6_3mc (186) ✗ 4 36 3 0.685 0.685 0.000 (0;000) ✗ 06/10/16
Na2AgAs ICSD 49007 C222_1 (20) ✗ 8 68 1 0.6852 0.685 0.000 (0;000) ✗ 06/10/16
Ag5SbS4 COD 9013429 Cmc2_1 (36) ✗ 20 168 3 0.6855 0.723 0.000 (0;000) ✗ 16/03/17
Cs2Sb2Pt ICSD 658700 Cmcm (63) ✔ 10 76 3 0.687 0.891 0.000 (0;000) ✗ 02/02/17
AlF3 COD 1010414 P321 (150) ✗ 12 72 2 0.6871 0.806 0.000 (0;000) ✗ 15/02/17
ZnSe2 ICSD 652213 Pa3 (205) ✔ 12 96 3 0.6872 0.823 0.000 (0;000) ✗ 02/02/17
NaBeSb COD 7221254 P6_3/mmc (194) ✔ 6 36 1 0.6881 1.361 0.000 (0;000) ✗ 05/01/17
K2Pt COD 9016555 Fm-3m (225) ✔ 3 28 1 0.6883 0.745 0.000 (0;000) ✗ 27/01/17
CsPbCl3 COD 1530111 Pm-3m (221) ✔ 5 44 3 0.6886 0.689 0.000 (0;000) ✗ 27/01/17
AgBiSCl2 ICSD 413290 Cmcm (63) ✔ 10 92 2 0.689 0.689 0.000 (0;000) ✗ 30/01/17
Na10CaSn12 COD 4320349 I-43m (217) ✗ 23 268 1 0.6893 0.709 0.000 (0;000) ✗ 07/08/17
VS4 ICSD 16797 C2/c (15) ✔ 20 148 2 0.6894 0.769 0.000 (0;000) ✗ 02/02/17
Te6IrI3 ICSD 423670 R-3c (167) ✔ 20 148 3 0.6895 0.711 0.000 (0;000) ✗ 02/02/17
CdS2 ICSD 620305 Pa3 (205) ✔ 12 96 3 0.6904 0.690 0.000 (0;000) ✗ 02/02/17
CuAgS ICSD 251148 Ccm2_1 (36) ✗ 6 56 3 0.6906 0.956 0.000 (0;000) ✗ 06/10/16
Ag3SeNO3 ICSD 108857 R3c (161) ✗ 16 124 3 0.6914 0.728 0.000 (0;000) ✗ 16/03/17
K2P3 ICSD 33259 Fmmm (69) ✔ 10 66 1 0.6919 0.692 0.000 (0;000) ✗ 02/02/17
Ba2GeP2 ICSD 35150 P2_1/c (14) ✔ 20 136 1 0.6927 0.821 0.000 (0;000) ✗ 02/02/17
Cd2SnO4 COD 1522049 Pbam (55) ✔ 14 124 3 0.6928 0.693 0.000 (0;000) ✗ 27/01/17
Na10SrSn12 COD 4320350 I-43m (217) ✗ 23 268 1 0.6938 0.724 0.000 (0;000) ✗ 07/08/17
SnSe2 ICSD 43857 P-3m1 (164) ✔ 3 26 2 0.6943 1.066 0.000 (0;000) ✗ 27/01/17
K2AgBi ICSD 1156 C222_1 (20) ✗ 8 68 1 0.6946 0.866 0.000 (0;000) ✗ 06/10/16
CoCuO2 COD 1008152 R-3m (166) ✔ 4 40 3 0.695 0.971 0.000 (0;000) ✗ 27/01/17
Li3P COD 2212780 P6_3/mmc (194) ✔ 8 28 1 0.695 2.117 0.000 (0;000) ✗ 27/01/17
LiNbS2 ICSD 26284 P6_3/mmc (194) ✔ 8 56 2 0.6953 1.625 0.000 (0;000) ✗ 27/01/17
ZnCu2SnS4 ICSD 185597 Pmn2_1 (31) ✗ 16 144 3 0.6953 0.695 0.000 (0;000) ✗ 22/03/17
Tl2C3O4 ICSD 260372 C2 (5) ✗ 18 124 3 0.6959 0.021 1.000 (0;000) ✗ 21/03/17
PdCl2 ICSD 421221 P2_1/c (14) ✔ 6 64 2 0.6974 1.132 0.000 (0;000) ✗ 27/01/17
P2Os COD 9012560 Pnnm (58) ✔ 6 52 3 0.6977 0.981 0.000 (0;000) ✗ 27/01/17
LiAsSe2 ICSD 248116 Cc (9) ✗ 8 40 1 0.6983 0.797 0.000 (0;000) ✗ 06/10/16
Sr3(GaAs2)2 ICSD 423785 C2/c (15) ✔ 18 152 2 0.6984 0.809 0.000 (0;000) ✗ 30/01/17
RbTaGeS5 ICSD 417874 P-1 (2) ✔ 16 112 1 0.6998 0.708 0.000 (0;000) ✗ 02/02/17
NbSeCl3 COD 2209086 P2/c (13) ✔ 20 160 1 0.7005 0.816 0.000 (0;000) ✗ 02/02/17
Tl6TeO6 ICSD 37135 R-3 (148) ✔ 13 120 3 0.7005 0.092 1.000 (0;000) ✗ 29/03/17
K2Se3 ICSD 1264 Ccm2_1 (36) ✗ 10 72 1 0.7025 0.851 0.000 (0;000) ✗ 06/10/16
CuAgS ICSD 66581 Pmc2_1 (26) ✗ 12 112 3 0.7052 0.722 0.000 (0;000) ✗ 06/10/16
Tl3BSe3 COD 1511327 P2_1/m (11) ✔ 14 120 1 0.7064 0.794 0.000 (0;000) ✗ 02/02/17
NaZr2FeF11 COD 2004076 C2/m (12) ✔ 15 102 3 0.7069 0.731 0.000 (0;000) ✗ 02/02/17
Na2PdSe2 ICSD 644936 Cmc2_1 (36) ✗ 10 80 1 0.7075 1.180 0.000 (0;000) ✗ 06/10/16
Nb3TeCl7 ICSD 79213 P-3m1 (164) ✔ 22 188 1 0.7075 0.708 0.000 (0;000) ✗ 07/08/17
KSe ICSD 73172 P-62m (189) ✗ 12 90 1 0.7078 1.190 0.000 (0;000) ✗ 29/03/17
GePtS ICSD 637647 Pca2_1 (29) ✗ 12 80 3 0.708 0.880 0.000 (0;000) ✗ 22/03/17
Pb(CS)2 COD 4107278 P6/mmm (191) ✔ 15 102 3 0.7085 0.710 0.000 (0;000) ✗ 02/02/17
K3Ge4Au COD 1510174 Pmmn (59) ✔ 16 108 1 0.709 0.813 0.000 (0;000) ✗ 02/02/17
Cd4GeSe6 COD 8100910 Cc (9) ✗ 22 176 3 0.7097 0.710 0.000 (0;000) ✗ 07/08/17
Rh2O3 ICSD 181830 Pbcn (60) ✔ 20 208 3 0.71 0.724 0.000 (0;000) ✗ 29/03/17
K2Cd2O3 COD 1528164 P2_1/c (14) ✔ 14 120 3 0.7106 0.711 0.000 (0;000) ✗ 02/02/17
MoS2 COD 9007660 P6_3/mmc (194) ✔ 6 52 2 0.7111 1.549 0.000 (0;000) ✗ 27/01/17
NaInTe2 ICSD 25346 I4/mcm (140) ✔ 8 68 1 0.7113 0.926 0.000 (0;000) ✗ 02/02/17
K5CuSb2 ICSD 32032 R-3m (166) ✔ 8 66 1 0.7123 0.859 0.000 (0;000) ✗ 02/02/17
LiSiBO4 ICSD 67536 I-4 (82) ✗ 7 34 1 0.715 0.715 0.000 (0;000) ✗ 15/02/17
CsAuI3 COD 2006239 I4/mmm (139) ✔ 10 82 3 0.7154 0.730 0.000 (0;000) ✗ 02/02/17
TiSnPt COD 1522660 F-43m (216) ✗ 3 36 3 0.7164 1.396 0.000 (0;000) ✗ 15/02/17
Rb2Se3 ICSD 14093 Ccm2_1 (36) ✗ 10 72 1 0.7189 0.828 0.000 (0;000) ✗ 06/10/16
BaTe3 ICSD 36366 P-42_1m (113) ✗ 8 56 1 0.719 0.730 0.000 (0;000) ✗ 06/10/16
CuHgSI ICSD 413309 Pna2_1 (33) ✗ 16 144 3 0.7199 0.720 0.000 (0;000) ✗ 22/03/17
Ba2S3 ICSD 70058 I4_1md (109) ✗ 10 76 1 0.7201 0.736 0.000 (0;000) ✗ 21/03/17
RbSnIO6 ICSD 73614 P6_322 (182) ✗ 18 132 2 0.7204 0.868 0.000 (0;000) ✗ 29/03/17
FeSi2 COD 2106045 Cmce (64) ✔ 24 128 3 0.7214 0.791 0.000 (0;000) ✗ 04/08/17
BaCN2 ICSD 75041 R-3c (167) ✔ 24 144 1 0.723 0.994 0.000 (0;000) ✗ 04/08/17
TeRhCl ICSD 405714 Cm (8) ✗ 6 60 2 0.7234 0.728 0.000 (0;000) ✗ 06/10/16
Te2Os COD 5910143 Pa3 (205) ✔ 12 112 3 0.724 0.875 0.000 (0;000) ✗ 02/02/17
GeSe2 ICSD 90957 P-4 (81) ✗ 12 64 3 0.7241 0.727 0.000 (0;000) ✔ 10/10/16
Mg2Al2Se5 ICSD 41928 P-3m1 (164) ✔ 9 56 2 0.7242 0.724 0.000 (0;000) ✗ 30/01/17
ScTlS2 ICSD 418474 P6_3/mmc (194) ✔ 8 72 2 0.725 1.667 0.000 (0;000) ✗ 27/01/17
Ca4Sb2O COD 7221475 I4/mmm (139) ✔ 7 56 1 0.7252 0.988 0.000 (0;000) ✗ 27/01/17
Y2Cl3 ICSD 23337 C2/m (12) ✔ 10 86 3 0.7252 0.793 0.000 (0;000) ✗ 02/02/17
Cu3PS4 ICSD 656975 Pmn2_1 (31) ✗ 16 124 3 0.7252 0.725 0.000 (0;000) ✗ 22/03/17
PdI2 ICSD 25120 P2_1/c (14) ✔ 12 128 2 0.7254 0.743 0.000 (0;000) ✗ 02/02/17
TePIr ICSD 601289 Pbca (61) ✔ 24 224 2 0.7269 0.998 0.000 (0;000) ✗ 04/08/17
P2Os ICSD 42609 Pmnn (58) ✔ 6 52 3 0.727 1.144 0.000 (0;000) ✗ 06/10/16
Cs2Te2Pt ICSD 627076 Immm (71) ✔ 5 40 1 0.7283 0.972 0.000 (0;000) ✗ 02/02/17
K4Br2O COD 9007797 Fmmm (69) ✔ 7 56 1 0.7286 0.729 0.000 (0;000) ✗ 27/01/17
TeRhCl ICSD 56853 C2/m (12) ✔ 6 60 2 0.7288 0.732 0.000 (0;000) ✗ 27/01/17
Te6IrBr3 ICSD 423673 R-3c (167) ✔ 20 148 3 0.729 1.004 0.000 (0;000) ✗ 02/02/17
PPdSe COD 9012269 Pbcn (60) ✔ 24 232 2 0.729 0.798 0.000 (0;000) ✗ 04/08/17
SnS ICSD 106028 Pmcn (62) ✔ 8 80 2 0.7294 0.811 0.000 (0;000) ✗ 06/10/16
VS2N3Cl2 ICSD 61351 P-1 (2) ✔ 16 108 1 0.731 0.758 0.000 (0;000) ✗ 02/02/17
Ba2InSbSe5 ICSD 425179 Cmc2_1 (36) ✗ 18 136 1 0.7314 1.193 0.000 (0;000) ✗ 21/03/17
K2Ni3S4 COD 1005023 Fddd (70) ✔ 18 144 1 0.7316 0.855 0.000 (0;000) ✗ 02/02/17
Cs6GaSb3 ICSD 300216 P2_1/m (11) ✔ 20 164 1 0.7326 0.805 0.000 (0;000) ✗ 02/02/17
TlPt2S3 ICSD 78784 P-3m1 (164) ✔ 12 102 2 0.7331 0.783 0.000 (0;000) ✗ 02/02/17
MnAgO4 COD 8103397 P2_1/c (14) ✔ 24 200 3 0.7334 0.762 0.000 (0;000) ✗ 04/08/17
RuS2 COD 9016356 Pa3 (205) ✔ 12 112 3 0.7339 0.971 0.000 (0;000) ✗ 27/01/17
Li2TeSe3 ICSD 415121 P2_1/c (14) ✔ 24 120 3 0.7397 0.750 0.000 (0;000) ✗ 04/08/17
Rb2P3 ICSD 654296 Fmmm (69) ✔ 10 66 1 0.7411 0.741 0.000 (0;000) ✗ 02/02/17
CuAgS ICSD 66582 Pmc2_1 (26) ✗ 12 112 3 0.7416 0.819 0.000 (0;000) ✗ 06/10/16
KAs COD 8100816 P2_12_12_1 (19) ✗ 16 112 1 0.7419 0.743 0.000 (0;000) ✗ 21/03/17
CaFe(SiO3)2 COD 9001813 C2/c (15) ✔ 20 124 3 0.742 0.746 0.000 (0;000) ✗ 02/02/17
I COD 1512512 Cmce (64) ✔ 4 28 1 0.7424 0.768 0.000 (0;000) ✗ 30/01/17
Ba(InTe2)2 ICSD 41168 Cccm (66) ✔ 14 120 1 0.7434 1.163 0.000 (0;000) ✗ 02/02/17
GaN ICSD 155050 Fm-3m (225) ✔ 2 18 3 0.7442 3.044 0.000 (0;000) ✗ 27/01/17
K4CO4 ICSD 245419 I-42m (121) ✗ 9 64 1 0.7444 0.744 0.000 (0;000) ✗ 07/10/16
LiAg3O2 COD 7209378 Ibam (72) ✔ 12 96 3 0.7463 0.746 0.000 (0;000) ✗ 05/01/17
Zn(GaTe2)2 ICSD 290911 I-4 (82) ✗ 7 62 3 0.7463 0.848 0.000 (0;000) ✗ 06/10/16
GeI2 ICSD 27674 P-6m2 (187) ✗ 3 18 3 0.7466 0.838 0.000 (0;000) ✗ 06/10/16
Sr(MgSb)2 COD 7221201 P-3m1 (164) ✔ 5 40 2 0.7472 1.394 0.000 (0;000) ✗ 27/01/17
ZrFeCl6 ICSD 39666 P-31c (163) ✔ 16 108 2 0.7473 0.778 0.000 (0;000) ✗ 02/02/17
Se2NCl3 ICSD 84030 P2_1/c (14) ✔ 24 152 1 0.7486 0.749 0.000 (0;000) ✗ 04/08/17
K3Sb2Au3 COD 1510504 R-3m (166) ✔ 8 70 2 0.7493 0.749 0.000 (0;000) ✗ 30/01/17
InAgS2 COD 1509403 Pna2_1 (33) ✗ 16 144 3 0.7495 0.751 0.000 (0;000) ✗ 16/03/17
P2Ir ICSD 174222 P2_1/c (14) ✔ 12 108 3 0.7499 1.526 0.000 (0;000) ✗ 27/01/17
RbSb COD 2011948 P2_1/c (14) ✔ 16 112 1 0.7509 0.763 0.000 (0;000) ✗ 02/02/17
AgI COD 2105342 P6_3mc (186) ✗ 8 72 2 0.7513 0.751 0.000 (0;000) ✗ 16/03/17
TlI COD 9008795 Pm-3m (221) ✔ 2 20 1 0.7515 1.593 0.000 (0;000) ✗ 30/01/17
CuBr COD 9013931 P4/nmm (129) ✔ 4 36 2 0.7515 0.752 0.000 (0;000) ✗ 27/01/17
Ba3(SiAs2)2 ICSD 41183 C2/c (15) ✔ 18 116 1 0.7517 0.757 0.000 (0;000) ✗ 30/01/17
Ag3AsSe3 COD 8103405 R3c (161) ✗ 14 112 3 0.7517 1.200 0.000 (0;000) ✗ 16/03/17
P4Ru ICSD 648018 P2_1/c (14) ✔ 10 72 3 0.7523 0.752 0.000 (0;000) ✗ 27/01/17
K2Os(Cl2O)2 COD 1010629 I4/mmm (139) ✔ 9 74 1 0.7524 0.803 0.000 (0;000) ✗ 02/02/17
PdCl2 ICSD 421220 P2/m (10) ✔ 6 64 1 0.7541 1.005 0.000 (0;000) ✗ 27/01/17
Si(AgO)4 COD 1509889 P4_2/n (86) ✔ 18 144 3 0.7549 1.117 0.000 (0;000) ✗ 30/01/17
NbBr2O ICSD 416669 C2 (5) ✗ 8 66 2 0.7552 0.860 0.000 (0;000) ✗ 06/10/16
Cd(InSe2)2 ICSD 151955 I-42m (121) ✗ 7 62 3 0.756 0.756 0.000 (0;000) ✗ 07/10/16
Hg(BiS2)2 COD 9011213 C2/m (12) ✔ 14 132 3 0.756 0.765 0.000 (0;000) ✗ 02/02/17
Cu2PbO2 ICSD 400657 C2/c (15) ✔ 10 96 3 0.7561 0.900 0.000 (0;000) ✗ 27/01/17
Ca2ZnN2 COD 1005002 I4/mmm (139) ✔ 5 42 1 0.7565 0.981 0.000 (0;000) ✗ 27/01/17
AlSiTe3 ICSD 75001 P-3 (147) ✔ 10 50 2 0.7578 1.020 0.000 (0;000) ✗ 30/01/17
K2Te2Pt ICSD 40432 Immm (71) ✔ 5 40 1 0.7598 1.226 0.000 (0;000) ✗ 27/01/17
ZnP2 ICSD 250015 P2_1/c (14) ✔ 24 176 3 0.7599 0.760 0.000 (0;000) ✗ 04/08/17
CoHO2 COD 9009449 P6_3/mmc (194) ✔ 8 60 3 0.7607 0.923 0.000 (0;000) ✗ 27/01/17
K4ZnAs2 COD 8102969 R-3m (166) ✔ 7 58 1 0.7611 0.761 0.000 (0;000) ✗ 30/01/17
POsSe ICSD 647716 P2_1/c (14) ✔ 12 108 3 0.762 1.054 0.000 (0;000) ✗ 27/01/17
HfFeCl6 ICSD 39817 P-31c (163) ✔ 16 124 2 0.7637 0.783 0.000 (0;000) ✗ 02/02/17
Sr5As3H COD 4002404 P6_3/mcm (193) ✔ 18 132 1 0.7644 0.836 0.000 (0;000) ✗ 30/01/17
InI ICSD 55181 Cmcm (63) ✔ 4 40 3 0.7644 0.832 0.000 (0;000) ✗ 06/10/16
Nb3SBr7 ICSD 81078 P3m1 (156) ✗ 11 94 2 0.7653 0.766 0.000 (0;000) ✗ 06/10/16
Ba(CdP)2 ICSD 30915 P-3m1 (164) ✔ 5 44 2 0.7653 0.773 0.000 (0;000) ✗ 05/01/17
TaI2O COD 2004011 C2/m (12) ✔ 8 66 2 0.7657 0.861 0.000 (0;000) ✗ 02/02/17
TeI COD 2000148 P-1 (2) ✔ 16 104 1 0.7663 0.767 0.000 (0;000) ✗ 02/02/17
MoSBr ICSD 163308 F-43m (216) ✗ 12 108 3 0.7669 0.770 0.000 (0;000) ✗ 21/03/17
BaP8 ICSD 96544 P-1 (2) ✔ 18 100 1 0.7672 1.147 0.000 (0;000) ✗ 02/02/17
SiAg2O3 COD 1509695 P2_12_12_1 (19) ✗ 24 176 3 0.7676 0.773 0.000 (0;000) ✗ 04/08/17
PdCl2 ICSD 30209 Pmnn (58) ✔ 6 48 1 0.7678 1.190 0.000 (0;000) ✗ 06/10/16
Al2Te5 ICSD 78941 C2/m (12) ✔ 7 36 3 0.768 1.019 0.000 (0;000) ✗ 30/01/17
KPt2Se3 ICSD 69438 R-3m (166) ✔ 12 94 2 0.768 0.768 0.000 (0;000) ✗ 02/02/17
WO3 COD 1521532 P4/ncc (130) ✔ 16 184 3 0.7681 0.769 0.000 (0;000) ✗ 11/04/17
ZnO ICSD 154486 P6_3mc (186) ✗ 4 36 3 0.7686 0.769 0.000 (0;000) ✗ 06/10/16
ZnO ICSD 290968 P2_1 (4) ✗ 4 36 0 0.7688 0.769 0.000 (0;000) ✗ 06/10/16
CuSe2Cl ICSD 68292 P2_1/c (14) ✔ 16 120 2 0.7697 0.926 0.000 (0;000) ✗ 02/02/17
Cs2NaVF6 ICSD 108910 R-3m (166) ✔ 20 164 1 0.7701 0.008 1.000 (0;000) ✗ 22/03/17
Nb3Sb2Te5 ICSD 417101 I-43m (217) ✗ 20 158 3 0.7725 0.972 0.000 (0;000) ✗ 29/03/17
TiGePt ICSD 188965 F-43m (216) ✗ 3 26 3 0.7725 1.701 0.000 (0;000) ✗ 15/02/17
Li3As COD 1010288 P6_3/mmc (194) ✔ 8 28 1 0.7732 1.714 0.000 (0;000) ✗ 05/01/17
KLi2As ICSD 78938 Pmmn (59) ✔ 8 40 1 0.7738 0.774 0.000 (0;000) ✗ 05/01/17
AgRhO2 ICSD 261561 R-3m (166) ✔ 4 40 3 0.7741 1.125 0.000 (0;000) ✗ 05/01/17
ReI3 ICSD 25114 P2_1/m (11) ✔ 24 216 2 0.7756 0.780 0.000 (0;000) ✗ 04/08/17
CuSbS2 COD 9009503 Pnma (62) ✔ 16 112 3 0.7769 0.819 0.000 (0;000) ✗ 02/02/17
Sr2CrN3 COD 7012865 P-1 (2) ✔ 12 98 1 0.7771 0.921 0.000 (0;000) ✗ 27/01/17
Sr(CdP)2 ICSD 30912 P-3m1 (164) ✔ 5 44 2 0.7783 0.778 0.000 (0;000) ✗ 27/01/17
RbTeAu COD 1510283 Pmma (51) ✔ 6 52 1 0.7785 0.779 0.000 (0;000) ✗ 02/02/17
K2PtC2 ICSD 421491 P-3m1 (164) ✔ 5 36 3 0.7799 0.813 0.000 (0;000) ✗ 27/01/17
Y2S3 ICSD 651407 Pnma (62) ✔ 20 160 3 0.7809 0.781 0.000 (0;000) ✗ 02/02/17
K4HgAs2 ICSD 402573 R-3m (166) ✔ 7 58 1 0.7813 0.781 0.000 (0;000) ✗ 30/01/17
Nb(SeBr)2 COD 4030178 C2/m (12) ✔ 10 78 2 0.7817 0.861 0.000 (0;000) ✗ 02/02/17
LiBiO2 ICSD 46022 Ibam (72) ✔ 16 120 1 0.7817 0.785 0.000 (0;000) ✗ 21/03/17
MgF2 ICSD 51243 P-1 (2) ✔ 6 48 1 0.7823 1.004 0.000 (0;000) ✗ 06/10/16
VCu3Se4 ICSD 629148 P-43m (215) ✗ 8 70 3 0.7827 1.171 0.000 (0;000) ✗ 06/10/16
SiP2 ICSD 43098 Pbam (55) ✔ 24 112 2 0.7829 1.248 0.000 (0;000) ✗ 04/08/17
Ga2Te5 ICSD 635505 I4/m (87) ✔ 7 56 3 0.7831 0.801 0.000 (0;000) ✗ 02/02/17
Mg3As2 ICSD 24485 Pn-3m (224) ✔ 10 80 3 0.7835 0.869 0.000 (0;000) ✗ 06/10/16
Mg3As2 COD 1010124 Pn-3m (224) ✔ 10 80 3 0.7835 0.869 0.000 (0;000) ✗ 30/01/17
AlAgO2 COD 1509215 Pna2_1 (33) ✗ 16 104 3 0.784 0.922 0.000 (0;000) ✗ 16/03/17
KTiPSe5 ICSD 81297 C2/m (12) ✔ 16 112 2 0.7848 0.860 0.000 (0;000) ✗ 02/02/17
Rh2O3 ICSD 647369 R-3c (167) ✔ 10 104 3 0.7851 0.985 0.000 (0;000) ✗ 27/01/17
Ag3P11 COD 4331410 Cm (8) ✗ 14 88 1 0.7858 1.147 0.000 (0;000) ✗ 16/03/17
AuCl2 ICSD 201436 P-1 (2) ✔ 12 100 1 0.7861 1.208 0.000 (0;000) ✗ 06/10/16
AuCl2 COD 4027825 P-1 (2) ✔ 12 100 1 0.7863 1.209 0.000 (0;000) ✗ 30/01/17
SnCl2 ICSD 81979 P2_1/c (14) ✔ 24 224 3 0.7863 1.125 0.000 (0;000) ✗ 04/08/17
Ta3SBr7 ICSD 51101 Cm (8) ✗ 11 94 2 0.7877 0.789 0.000 (0;000) ✗ 06/10/16
AgClO2 COD 9007819 Pcca (54) ✔ 16 120 2 0.7885 1.065 0.000 (0;000) ✗ 30/01/17
Te6RhBr3 ICSD 423669 R-3c (167) ✔ 20 148 3 0.7889 0.927 0.000 (0;000) ✗ 02/02/17
Cd2As3Br ICSD 100815 Cc (9) ✗ 12 92 3 0.7894 1.283 0.000 (0;000) ✗ 06/10/16
WO3 ICSD 86144 P-42_1m (113) ✗ 16 184 3 0.7896 0.923 0.000 (0;000) ✗ 11/04/17
FeP4 ICSD 65415 C2/c (15) ✔ 20 112 3 0.7899 0.859 0.000 (0;000) ✗ 02/02/17
CdSiAs2 ICSD 22187 I-42d (122) ✗ 8 52 3 0.7902 0.792 0.000 (0;000) ✗ 07/10/16
PdCl2 COD 1010447 Pnnm (58) ✔ 6 64 1 0.7905 1.217 0.000 (0;000) ✗ 27/01/17
FeS2 ICSD 42726 P2nn (34) ✗ 6 40 3 0.7907 1.143 0.000 (0;000) ✗ 06/10/16
SrTiN2 ICSD 85770 P4/nmm (129) ✔ 8 64 2 0.7908 0.791 0.000 (0;000) ✗ 27/01/17
Tl2Au4S3 COD 7109280 Pmmn (59) ✔ 18 176 3 0.7914 0.791 0.000 (0;000) ✗ 21/03/17
Ca3N2 ICSD 419865 R-3c (167) ✔ 10 80 1 0.792 0.955 0.000 (0;000) ✗ 27/01/17
RbAuBr3 COD 1510367 C2/m (12) ✔ 10 82 1 0.7922 0.849 0.000 (0;000) ✗ 30/01/17
CdSiAs2 ICSD 609979 I-42d (122) ✗ 8 52 3 0.7925 0.794 0.000 (0;000) ✗ 15/02/17
AlSb ICSD 190422 P6_3mc (186) ✗ 4 16 3 0.7926 0.793 0.000 (0;000) ✗ 06/10/16
Zn(GaTe2)2 ICSD 635531 I-4 (82) ✗ 7 62 3 0.7942 0.794 0.000 (0;000) ✗ 06/10/16
RbTe ICSD 83350 Pbam (55) ✔ 8 60 1 0.795 0.875 0.000 (0;000) ✗ 02/02/17
Pd(Se3Br)2 ICSD 418160 P-1 (2) ✔ 9 68 2 0.7959 0.796 0.000 (0;000) ✗ 02/02/17
BaZrS3 ICSD 616104 Pnma (62) ✔ 20 128 3 0.796 0.796 0.000 (0;000) ✗ 02/02/17
Rb4CO4 ICSD 245431 I-42m (121) ✗ 9 64 1 0.7962 0.908 0.000 (0;000) ✗ 07/10/16
CsTaGeS5 ICSD 417875 P-1 (2) ✔ 16 112 1 0.7968 0.814 0.000 (0;000) ✗ 22/03/17
FeP4 ICSD 2442 C222_1 (20) ✗ 10 56 2 0.7978 1.055 0.000 (0;000) ✗ 15/02/17
ReCl3 COD 4343759 R-3m (166) ✔ 24 216 3 0.8 0.801 0.000 (0;000) ✗ 04/08/17
Cs3Ge4Au COD 1510108 Pmmn (59) ✔ 16 108 3 0.8002 0.890 0.000 (0;000) ✗ 21/03/17
VSb2O5 COD 9004154 C2/c (15) ✔ 16 106 3 0.8007 0.000 1.000 (0;000) ✗ 29/03/17
LiVO3 ICSD 23477 Cc (9) ✗ 20 136 3 0.8008 0.885 0.000 (0;000) ✗ 29/03/17
CdHgO2 COD 2002689 C2/m (12) ✔ 4 36 3 0.8009 0.840 0.000 (0;000) ✗ 27/01/17
CuTe2I ICSD 67253 P2_1/c (14) ✔ 16 120 2 0.801 0.840 0.000 (0;000) ✗ 02/02/17
Rb3Ge4Au COD 1510175 Pmmn (59) ✔ 16 108 3 0.8011 0.975 0.000 (0;000) ✗ 02/02/17
SiAs ICSD 153457 C2/m (12) ✔ 12 54 3 0.8022 0.969 0.000 (0;000) ✗ 30/01/17
Cs6AlSb3 ICSD 300128 P2_1/m (11) ✔ 20 144 1 0.8041 0.922 0.000 (0;000) ✗ 16/03/17
SiAs2 ICSD 611405 Pbam (55) ✔ 24 112 2 0.8047 1.083 0.000 (0;000) ✗ 04/08/17
BePo ICSD 58730 F-43m (216) ✗ 2 20 3 0.8057 1.059 0.000 (0;000) ✗ 06/10/16
MoSe2 ICSD 49800 P6_3/mmc (194) ✔ 6 52 2 0.8058 1.388 0.000 (0;000) ✗ 27/01/17
Te4MoBr ICSD 82245 P-1 (2) ✔ 12 90 2 0.8068 0.807 0.000 (0;000) ✗ 02/02/17
FeS2 ICSD 42415 Pmnn (58) ✔ 6 40 3 0.8069 1.148 0.000 (0;000) ✗ 06/10/16
ZrSO ICSD 36111 P4/nmm (129) ✔ 6 32 3 0.8081 0.808 0.000 (0;000) ✗ 27/01/17
ReS2 ICSD 650077 P-1 (2) ✔ 12 108 2 0.8083 0.813 0.000 (0;000) ✗ 06/10/16
FeS2 COD 9013067 Pnnm (58) ✔ 6 40 3 0.8098 1.147 0.000 (0;000) ✗ 27/01/17
CuHgSeBr ICSD 411771 Pmma (51) ✔ 16 144 3 0.8098 0.868 0.000 (0;000) ✗ 02/02/17
BeSiAs2 ICSD 237067 I-42d (122) ✗ 8 36 3 0.8099 0.810 0.000 (0;000) ✗ 07/10/16
BaZrN2 ICSD 74905 P4/nmm (129) ✔ 8 48 1 0.8105 0.816 0.000 (0;000) ✗ 05/01/17
LiScMo3O8 ICSD 28525 P3m1 (156) ✗ 13 104 3 0.8112 0.811 0.000 (0;000) ✗ 15/02/17
KHfCuS3 COD 8101656 Cmcm (63) ✔ 12 100 1 0.8118 0.821 0.000 (0;000) ✗ 02/02/17
PbS ICSD 183255 P6_3mc (186) ✗ 4 40 2 0.8123 1.012 0.000 (0;000) ✗ 06/10/16
KNbS2 ICSD 26286 P6_3/mmc (194) ✔ 8 68 2 0.8125 1.390 0.000 (0;000) ✗ 27/01/17
WN2 ICSD 290433 P-6m2 (187) ✗ 3 24 3 0.8125 1.046 0.000 (0;000) ✗ 06/10/16
PbCl2 ICSD 81978 P2_1/c (14) ✔ 24 224 3 0.8128 0.848 0.000 (0;000) ✗ 04/08/17
VCu3Se4 ICSD 601475 P-43m (215) ✗ 8 70 3 0.813 1.198 0.000 (0;000) ✗ 06/10/16
Cd(InTe2)2 ICSD 25651 I-4 (82) ✗ 7 62 3 0.8133 0.813 0.000 (0;000) ✗ 06/10/16
Ga2Te5 ICSD 1085 I4/m (87) ✔ 7 56 3 0.8135 0.828 0.000 (0;000) ✗ 06/10/16
NbI3O ICSD 418088 C2 (5) ✗ 10 80 2 0.8135 0.850 0.000 (0;000) ✗ 06/10/16
VCu3Se4 ICSD 629147 P-43m (215) ✗ 8 70 3 0.814 1.200 0.000 (0;000) ✗ 06/10/16
RbPt2Se3 ICSD 69439 R-3m (166) ✔ 12 94 2 0.8141 0.814 0.000 (0;000) ✗ 02/02/17
Zn(GaTe2)2 ICSD 44888 I-4 (82) ✗ 7 62 3 0.8143 0.814 0.000 (0;000) ✗ 06/10/16
ZrSnS3 COD 2001131 Pnma (62) ✔ 20 144 2 0.8146 0.816 0.000 (0;000) ✗ 02/02/17
In2Te5 ICSD 640615 Cc (9) ✗ 14 112 2 0.8149 0.931 0.000 (0;000) ✗ 29/03/17
CuH2C2BrN COD 7052608 P-1 (2) ✔ 14 66 3 0.8149 1.037 0.000 (0;000) ✗ 27/01/17
AgTe3I COD 4027808 Pmna (53) ✔ 20 144 3 0.8152 0.815 0.000 (0;000) ✗ 30/01/17
Cs2Te3As ICSD 405235 P2_1/c (14) ✔ 24 164 3 0.8153 0.910 0.000 (0;000) ✗ 04/08/17
Ba4P2O ICSD 33906 Cmce (64) ✔ 14 112 1 0.8159 0.816 0.000 (0;000) ✗ 02/02/17
CoAsS ICSD 43221 Pca2_1 (29) ✗ 12 80 3 0.8165 1.065 0.000 (0;000) ✗ 06/10/16
Te6RhI3 ICSD 423671 R-3c (167) ✔ 20 148 3 0.8169 0.835 0.000 (0;000) ✗ 02/02/17
Cd3TeO6 ICSD 35084 P2_1/c (14) ✔ 20 156 3 0.8176 0.818 0.000 (0;000) ✗ 02/02/17
Ca3PN COD 1527232 Pm-3m (221) ✔ 5 40 1 0.8179 0.818 0.000 (0;000) ✗ 27/01/17
VCu3Se4 ICSD 409449 P-43m (215) ✗ 8 70 3 0.8183 1.205 0.000 (0;000) ✗ 06/10/16
LiP COD 9015447 P2_1/c (14) ✔ 16 64 1 0.8201 1.112 0.000 (0;000) ✗ 02/02/17
Ca2CdAs2 ICSD 422579 Ccm2_1 (36) ✗ 10 84 1 0.8205 0.821 0.000 (0;000) ✗ 06/10/16
Tl3AsS3 ICSD 100292 R3m (160) ✗ 7 62 3 0.8209 0.911 0.000 (0;000) ✗ 06/10/16
Cs2PtC2 COD 1526418 P-3m1 (164) ✔ 5 36 3 0.8218 0.869 0.000 (0;000) ✗ 27/01/17
NaPt2Se3 ICSD 78788 P6_3mc (186) ✗ 24 188 1 0.8222 0.854 0.000 (0;000) ✗ 04/08/17
CsCdBr3 COD 1010122 Pm-3m (221) ✔ 5 42 3 0.8231 1.294 0.000 (0;000) ✗ 27/01/17
BeP2 ICSD 2262 C2/c (15) ✔ 24 112 1 0.8233 0.895 0.000 (0;000) ✗ 04/08/17
Rb2SnAs2 COD 1008521 Ibam (72) ✔ 10 84 1 0.825 1.092 0.000 (0;000) ✗ 30/01/17
K2PAu COD 1008465 Cmcm (63) ✔ 8 68 1 0.8255 0.826 0.000 (0;000) ✗ 02/02/17
BaCuTeF ICSD 245624 P4/nmm (129) ✔ 8 68 1 0.8274 0.827 0.000 (0;000) ✗ 05/01/17
Pd2Cl2O ICSD 61333 I4_1/amd (141) ✔ 10 112 3 0.8284 1.027 0.000 (0;000) ✗ 27/01/17
NbI2O ICSD 36255 C2 (5) ✗ 8 66 2 0.8298 0.837 0.000 (0;000) ✗ 06/10/16
Ba5Ta4O15 COD 2310386 P-3m1 (164) ✔ 24 192 1 0.8298 0.831 0.000 (0;000) ✗ 04/08/17
CsAuBr3 COD 2206091 I4/mmm (139) ✔ 10 82 3 0.8304 0.848 0.000 (0;000) ✗ 30/01/17
POsS ICSD 647714 P2_1/c (14) ✔ 12 108 3 0.8312 1.100 0.000 (0;000) ✗ 27/01/17
K2GeAs2 COD 1008520 Ibam (72) ✔ 10 64 1 0.8312 0.962 0.000 (0;000) ✗ 30/01/17
Rb2GeSe3 ICSD 402719 C2/m (12) ✔ 12 80 1 0.8322 0.906 0.000 (0;000) ✗ 02/02/17
NaSrAs ICSD 402448 P-62m (189) ✗ 9 72 1 0.8323 0.832 0.000 (0;000) ✗ 06/10/16
Cd(InSe2)2 ICSD 620049 P-42m (111) ✗ 7 62 3 0.8336 0.834 0.000 (0;000) ✗ 15/02/17
Ir2S3 ICSD 640948 Pbcn (60) ✔ 20 208 3 0.8351 0.924 0.000 (0;000) ✗ 02/02/17
K2SnTe3 COD 8101316 Cmce (64) ✔ 24 200 1 0.8357 0.844 0.000 (0;000) ✗ 04/08/17
MgAs4 COD 2106317 P4_12_12 (92) ✗ 20 120 3 0.836 0.848 0.000 (0;000) ✗ 21/03/17
AgCl COD 9011666 Fm-3m (225) ✔ 2 18 3 0.8363 2.918 0.000 (0;000) ✗ 05/01/17
GaCuO2 COD 1531589 P6_3/mmc (194) ✔ 8 72 3 0.837 1.525 0.000 (0;000) ✗ 27/01/17
Ga2HgSe4 ICSD 290393 I-4 (82) ✗ 7 62 3 0.8371 0.837 0.000 (0;000) ✗ 06/10/16
Rb2PbO3 ICSD 1413 Cmc2_1 (36) ✗ 12 100 2 0.8375 0.838 0.000 (0;000) ✗ 06/10/16
Cs2As2Pd ICSD 69647 Cmcm (63) ✔ 10 92 1 0.8383 0.933 0.000 (0;000) ✗ 30/01/17
ZrCl2 ICSD 20144 R3m (160) ✗ 3 26 2 0.8387 1.424 0.000 (0;000) ✗ 06/10/16
GePtSe ICSD 822 P2_1ab (29) ✗ 12 80 3 0.8395 1.082 0.000 (0;000) ✗ 06/10/16
TlBSe3 ICSD 411344 Cc (9) ✗ 10 68 2 0.841 1.470 0.000 (0;000) ✗ 06/10/16
Sr(ZnP)2 ICSD 30911 P-3m1 (164) ✔ 5 44 2 0.8413 0.856 0.000 (0;000) ✗ 27/01/17
HgO ICSD 32561 P-1 (2) ✔ 16 144 3 0.8413 1.143 0.000 (0;000) ✗ 02/02/17
Ca(BeP)2 ICSD 616191 P-3m1 (164) ✔ 5 28 1 0.8415 1.509 0.000 (0;000) ✗ 05/01/17
Cd4SiSe6 COD 1532045 Cc (9) ✗ 22 176 3 0.8423 0.843 0.000 (0;000) ✗ 07/08/17
Cd2As3I ICSD 8216 Cc (9) ✗ 12 92 3 0.8427 1.115 0.000 (0;000) ✗ 06/10/16
Cs2P3 ICSD 65185 Fmmm (69) ✔ 10 66 1 0.8432 0.843 0.000 (0;000) ✗ 02/02/17
Ba2HfS4 ICSD 80652 I4/mmm (139) ✔ 7 56 2 0.8433 0.897 0.000 (0;000) ✗ 05/01/17
PPdS ICSD 2331 Pbcn (60) ✔ 24 232 2 0.8446 1.010 0.000 (0;000) ✗ 04/08/17
K3InP2 ICSD 300141 Ibam (72) ✔ 12 100 1 0.8449 0.857 0.000 (0;000) ✗ 02/02/17
Ga2HgSe4 ICSD 25645 I-4 (82) ✗ 7 62 3 0.8456 0.846 0.000 (0;000) ✗ 06/10/16
AlAgTe2 ICSD 28746 I-42d (122) ✗ 8 52 3 0.846 0.850 0.000 (0;000) ✗ 07/10/16
PbS ICSD 183249 Pbm2 (28) ✗ 8 80 2 0.8462 1.424 0.000 (0;000) ✗ 06/10/16
BaSe ICSD 52695 Pm-3m (221) ✔ 2 16 1 0.8463 0.846 0.000 (0;000) ✗ 05/01/17
MoH2Cl2O3 ICSD 25031 Pmn2_1 (31) ✗ 16 96 2 0.8466 0.889 0.000 (0;000) ✗ 22/03/17
MoSe2 ICSD 644346 P6_3/mmc (194) ✔ 6 52 2 0.8472 1.396 0.000 (0;000) ✗ 27/01/17
MoS2 ICSD 38401 R3m (160) ✗ 3 26 2 0.8476 1.670 0.000 (0;000) ✗ 06/10/16
Cu3TeS3Cl ICSD 85789 R3m (160) ✗ 8 64 3 0.8482 0.848 0.000 (0;000) ✗ 15/02/17
BaNaP ICSD 402227 P-62m (189) ✗ 9 72 1 0.8483 0.848 0.000 (0;000) ✗ 06/10/16
NbCu3Te4 ICSD 628495 P-43m (215) ✗ 8 70 3 0.8496 1.383 0.000 (0;000) ✗ 06/10/16
MoS2 ICSD 24000 P6_3/mmc (194) ✔ 6 52 2 0.8501 1.709 0.000 (0;000) ✗ 06/10/16
ScRhO3 ICSD 237350 P2_1/m (11) ✔ 20 184 3 0.8501 0.875 0.000 (0;000) ✗ 02/02/17
GaSe ICSD 2002 P6_3mc (186) ✗ 16 152 1 0.8502 0.851 0.000 (0;000) ✗ 22/03/17
B4C ICSD 612562 R-3m (166) ✔ 15 48 3 0.8525 0.871 0.000 (0;000) ✗ 27/01/17
CuSe2Br ICSD 410004 P2_1/c (14) ✔ 16 120 2 0.8528 0.925 0.000 (0;000) ✗ 02/02/17
NaS ICSD 43405 P-62m (189) ✗ 12 90 1 0.8537 1.655 0.000 (0;000) ✗ 29/03/17
MoSe2 ICSD 16948 R3m (160) ✗ 3 26 0 0.8542 1.333 0.000 (0;000) ✗ 06/10/16
CuP2 ICSD 628625 P2_1/c (14) ✔ 12 84 2 0.8546 0.855 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9006307 P1 (1) ✗ 12 64 3 0.856 0.909 0.000 (0;000) ✗ 15/02/17
Ba3SrNb2O9 ICSD 186191 P-3m1 (164) ✔ 15 120 3 0.8567 0.857 0.000 (0;000) ✗ 02/02/17
NbCl4 COD 4343693 C2/m (12) ✔ 10 82 1 0.8567 0.889 0.000 (0;000) ✗ 02/02/17
AgBi(PS3)2 ICSD 170639 P-1 (2) ✔ 20 144 3 0.8572 1.113 0.000 (0;000) ✗ 30/01/17
Cd2As3I COD 9011252 C2/c (15) ✔ 12 92 3 0.8572 1.134 0.000 (0;000) ✗ 30/01/17
WSe2 COD 9012193 P6_3/mmc (194) ✔ 6 80 2 0.8573 1.336 0.000 (0;000) ✗ 11/04/17
NaZnP ICSD 61083 P4/nmm (129) ✔ 6 52 1 0.8574 0.857 0.000 (0;000) ✗ 27/01/17
AgAuCl4 COD 7209314 C2/c (15) ✔ 12 100 2 0.8582 0.858 0.000 (0;000) ✗ 30/01/17
CsPt2Se3 ICSD 69440 R-3m (166) ✔ 12 94 2 0.8588 0.859 0.000 (0;000) ✗ 02/02/17
Cs3NiF7 COD 1531511 P4/mbm (127) ✔ 22 172 1 0.8589 0.870 0.000 (0;000) ✗ 07/08/17
BiSI ICSD 25575 Pnma (62) ✔ 12 112 1 0.8593 1.045 0.000 (0;000) ✗ 02/02/17
Sb2Se3 COD 9007437 Pnma (62) ✔ 20 112 2 0.8595 0.866 0.000 (0;000) ✗ 02/02/17
MgF2 ICSD 51242 Cm2m (38) ✗ 3 24 1 0.86 0.994 0.000 (0;000) ✗ 06/10/16
TeAuI COD 1510182 P2_1/c (14) ✔ 12 96 2 0.8628 1.046 0.000 (0;000) ✗ 02/02/17
Ca(ZnP)2 COD 7221217 P-3m1 (164) ✔ 5 44 2 0.8628 0.990 0.000 (0;000) ✗ 27/01/17
Ba4NaAuO8 COD 2002622 I4/mmm (139) ✔ 14 108 1 0.863 0.981 0.000 (0;000) ✗ 30/01/17
K2SbAu ICSD 380340 Cmcm (63) ✔ 8 68 1 0.863 0.965 0.000 (0;000) ✗ 02/02/17
Zn(InTe2)2 ICSD 25650 I-4 (82) ✗ 7 62 3 0.8631 0.863 0.000 (0;000) ✗ 06/10/16
Cs3Sb ICSD 53243 Fm-3m (225) ✔ 4 32 1 0.8638 0.999 0.000 (0;000) ✗ 27/01/17
CuP2 ICSD 35282 P2_1/c (14) ✔ 12 84 2 0.8655 0.866 0.000 (0;000) ✗ 06/10/16
NaP COD 1528277 P2_12_12_1 (19) ✗ 16 112 1 0.8664 0.916 0.000 (0;000) ✗ 29/03/17
Sr3P4 ICSD 38321 Fdd2 (43) ✗ 14 100 1 0.8678 1.057 0.000 (0;000) ✗ 29/03/17
FeCO3 COD 9015260 R-3c (167) ✔ 10 60 3 0.8678 0.959 0.000 (0;000) ✗ 27/01/17
CuHgSeCl COD 1001109 Pbam (55) ✔ 16 144 3 0.868 0.874 0.000 (0;000) ✗ 02/02/17
Ba2Ge(TeSe)2 ICSD 414165 P2_1/m (11) ✔ 14 96 1 0.8686 0.869 0.000 (0;000) ✗ 02/02/17
Ag2HgI4 ICSD 30264 P-42m (111) ✗ 7 62 3 0.8694 0.869 0.000 (0;000) ✗ 07/10/16
LiBC ICSD 245288 P6_3/mmc (194) ✔ 6 20 2 0.87 1.372 0.000 (0;000) ✗ 27/01/17
NbCu3Te4 ICSD 169544 P-43m (215) ✗ 8 70 3 0.8706 1.403 0.000 (0;000) ✗ 06/10/16
TlSbO3 ICSD 77329 R-3 (148) ✔ 10 72 3 0.8714 0.960 0.000 (0;000) ✗ 29/03/17
NaMgSb COD 9008323 P4/nmm (129) ✔ 6 48 1 0.8715 0.964 0.000 (0;000) ✗ 27/01/17
InBiS3 ICSD 290195 P2_1 (4) ✗ 10 72 3 0.8716 1.031 0.000 (0;000) ✗ 06/10/16
K2BiAu ICSD 380341 Cmcm (63) ✔ 8 88 1 0.8724 1.008 0.000 (0;000) ✗ 30/01/17
ScCuS2 ICSD 15298 P3m1 (156) ✗ 4 34 3 0.8732 1.546 0.000 (0;000) ✗ 06/10/16
Ca(CdP)2 COD 7221218 P-3m1 (164) ✔ 5 44 2 0.8743 0.874 0.000 (0;000) ✗ 27/01/17
K2Sn2O3 ICSD 2216 R3 (146) ✗ 7 64 2 0.8749 0.875 0.000 (0;000) ✗ 06/10/16
Ca3AsN COD 1005008 Pnma (62) ✔ 20 160 1 0.8756 0.876 0.000 (0;000) ✗ 21/03/17
NaAs ICSD 182159 P2_1/c (14) ✔ 16 112 1 0.8758 0.946 0.000 (0;000) ✗ 30/01/17
SnPbS3 ICSD 648477 Pnma (62) ✔ 20 184 2 0.876 0.925 0.000 (0;000) ✗ 02/02/17
TaCuN2 COD 4030363 R-3m (166) ✔ 4 34 3 0.8763 1.447 0.000 (0;000) ✗ 27/01/17
Cd(RhO2)2 COD 4329525 Fd-3m (227) ✔ 14 140 3 0.8771 0.883 0.000 (0;000) ✗ 27/01/17
Ba(PdS2)2 ICSD 79930 P2_1/m (11) ✔ 14 140 3 0.8771 1.024 0.000 (0;000) ✗ 02/02/17
K2AsAuS4 ICSD 85681 P2_1/m (11) ✔ 16 116 3 0.8772 0.877 0.000 (0;000) ✗ 30/01/17
GaTe ICSD 153456 C2/m (12) ✔ 12 114 3 0.8772 0.877 0.000 (0;000) ✗ 02/02/17
Cs2Ni3S4 ICSD 63010 P6_3/mmc (194) ✔ 18 144 1 0.8774 0.984 0.000 (0;000) ✗ 02/02/17
Sr3(SiAs2)2 COD 1528461 C2/c (15) ✔ 18 116 1 0.8782 0.878 0.000 (0;000) ✗ 30/01/17
TaCuO3 ICSD 164934 R3c (161) ✗ 10 84 3 0.8785 0.879 0.000 (0;000) ✗ 06/10/16
SnI4 ICSD 18010 P-43m (215) ✗ 5 42 1 0.8791 0.882 0.000 (0;000) ✗ 06/10/16
Cd(InTe2)2 ICSD 620058 I-4 (82) ✗ 7 62 3 0.8795 0.880 0.000 (0;000) ✗ 06/10/16
Na2LiN COD 1526567 P4/nmm (129) ✔ 8 52 1 0.8797 0.880 0.000 (0;000) ✗ 27/01/17
WS2 ICSD 202367 R3m (160) ✗ 3 26 2 0.8802 1.635 0.000 (0;000) ✗ 06/10/16
H3I3N2 ICSD 27416 P2_1/m (11) ✔ 16 68 3 0.8803 1.057 0.000 (0;000) ✗ 02/02/17
CoAsS ICSD 31189 P2_1ca (29) ✗ 12 80 3 0.8804 1.143 0.000 (0;000) ✗ 06/10/16
MoS2 ICSD 644259 P6_3/mmc (194) ✔ 6 52 2 0.8813 1.652 0.000 (0;000) ✗ 27/01/17
BaSbClO2 ICSD 200962 Cmcm (63) ✔ 10 68 1 0.8819 2.937 1.000 (0;000) ✗ 02/02/17
In5Se5Cl ICSD 414220 P2_1/m (11) ✔ 22 204 3 0.8819 0.937 0.000 (0;000) ✗ 07/08/17
HgO2 ICSD 655816 C2/m (12) ✔ 3 24 3 0.8821 1.430 0.000 (0;000) ✗ 27/01/17
HgO2 ICSD 48214 C2/m (12) ✔ 3 24 3 0.8828 1.430 0.000 (0;000) ✗ 06/10/16
Na2PtSe2 ICSD 40429 Cmc2_1 (36) ✗ 10 80 1 0.8836 1.266 0.000 (0;000) ✗ 06/10/16
CO2 ICSD 188893 Cmce (64) ✔ 6 32 1 0.8836 1.332 0.000 (0;000) ✗ 27/01/17
RbBa4Sb3O ICSD 415036 I4/mcm (140) ✔ 18 140 1 0.8848 0.993 0.000 (0;000) ✗ 02/02/17
VAg3O4 COD 4001677 C2/c (15) ✔ 16 140 3 0.8865 1.160 0.000 (0;000) ✗ 30/01/17
Cs6InAs3 ICSD 300145 P2_1/m (11) ✔ 20 164 3 0.8866 0.887 0.000 (0;000) ✗ 21/03/17
CuSe3Br COD 1524480 Pmna (53) ✔ 20 144 3 0.8867 1.006 0.000 (0;000) ✗ 02/02/17
Ba(CuS)2 COD 1521193 Pnma (62) ✔ 20 176 3 0.8873 0.887 0.000 (0;000) ✗ 02/02/17
Cd(InSe2)2 ICSD 151954 I-4 (82) ✗ 7 62 3 0.8879 0.888 0.000 (0;000) ✗ 06/10/16
K4BeAs2 ICSD 300111 R-3m (166) ✔ 7 50 1 0.8884 0.888 0.000 (0;000) ✗ 30/01/17
K2NaGaAs2 ICSD 300129 Ibam (72) ✔ 12 100 1 0.8897 0.890 0.000 (0;000) ✗ 30/01/17
K4CdP2 ICSD 61084 R-3m (166) ✔ 7 58 1 0.89 0.963 0.000 (0;000) ✗ 02/02/17
Rb7NbAs4 ICSD 380111 Pmn2_1 (31) ✗ 24 192 1 0.8901 0.979 0.000 (0;000) ✗ 04/08/17
Al4C3 ICSD 14397 R3m (160) ✗ 7 24 3 0.8906 1.617 0.000 (0;000) ✗ 06/10/16
BaS3 COD 1010269 P2_12_12 (18) ✗ 16 112 3 0.8913 0.979 0.000 (0;000) ✗ 21/03/17
BaCdAsF ICSD 189938 P4/nmm (129) ✔ 8 68 1 0.8914 0.891 0.000 (0;000) ✗ 05/01/17
LiBeAs COD 7221252 P4/nmm (129) ✔ 6 24 1 0.8927 1.201 0.000 (0;000) ✗ 05/01/17
Rb2Te2Pt ICSD 649525 Immm (71) ✔ 5 40 1 0.8933 1.288 0.000 (0;000) ✗ 27/01/17
K2PdSe2 ICSD 641298 Immm (71) ✔ 5 48 1 0.8935 1.406 0.000 (0;000) ✗ 27/01/17
TlPAuSe3 COD 4000517 C2/m (12) ✔ 12 94 1 0.8936 1.034 0.000 (0;000) ✗ 02/02/17
GeS ICSD 637785 Pmnb (62) ✔ 8 40 2 0.8942 1.214 0.000 (0;000) ✗ 06/10/16
Ba2VN3 ICSD 80177 Cmce (64) ✔ 24 192 2 0.8948 0.895 0.000 (0;000) ✗ 04/08/17
SrPbO3 COD 2002889 Pnma (62) ✔ 20 168 3 0.8952 0.895 0.000 (0;000) ✗ 02/02/17
SrZnPF COD 7203808 P4/nmm (129) ✔ 8 68 1 0.8953 0.895 0.000 (0;000) ✗ 27/01/17
K3NaFeCl6 ICSD 23182 R-3m (166) ✔ 11 86 1 0.8954 0.895 0.000 (0;000) ✗ 02/02/17
HgI2 COD 9014434 P4_2/nmc (137) ✔ 6 52 2 0.8955 0.896 0.000 (0;000) ✗ 02/02/17
Sr5(AuO4)2 COD 2002552 F222 (22) ✗ 15 120 3 0.8956 0.898 0.000 (0;000) ✗ 21/03/17
NaH2N ICSD 14007 Fddd (70) ✔ 16 64 1 0.8969 0.913 0.000 (0;000) ✗ 27/01/17
NaSbS2 COD 1530128 P-1 (2) ✔ 8 52 1 0.898 0.898 0.000 (0;000) ✗ 27/01/17
RhF3 COD 2310599 R-3c (167) ✔ 8 76 3 0.8988 1.057 0.000 (0;000) ✗ 27/01/17
Sc2CdS4 ICSD 94994 Fd-3m (227) ✔ 14 116 3 0.8989 0.899 0.000 (0;000) ✗ 02/02/17
BiSeI COD 2010577 Pnma (62) ✔ 12 112 1 0.8997 0.935 0.000 (0;000) ✗ 02/02/17
Hg2As3Br ICSD 75169 C2/c (15) ✔ 12 92 3 0.9002 1.173 0.000 (0;000) ✗ 30/01/17
Tl2PAuS4 ICSD 85680 P2_1/m (11) ✔ 16 132 2 0.9005 0.970 0.000 (0;000) ✗ 02/02/17
Pb5(IF4)2 ICSD 36334 R3m (160) ✗ 15 140 1 0.903 1.450 0.000 (0;000) ✗ 11/04/17
HfTlCuS3 ICSD 82562 Cmcm (63) ✔ 12 108 3 0.9041 0.911 0.000 (0;000) ✗ 02/02/17
NaBrO3 COD 1010058 P2_13 (198) ✗ 20 136 1 0.9042 0.932 0.000 (0;000) ✗ 21/03/17
ZnO ICSD 190807 Fm-3m (225) ✔ 2 18 3 0.9046 2.298 0.000 (0;000) ✗ 27/01/17
GeS COD 9008784 Pnma (62) ✔ 8 40 2 0.9053 1.017 0.000 (0;000) ✗ 27/01/17
KZnP COD 7221374 P6_3/mmc (194) ✔ 6 52 2 0.9058 0.906 0.000 (0;000) ✗ 27/01/17
Pb4SeBr6 ICSD 21039 Imm2 (44) ✗ 11 104 3 0.9075 0.993 0.000 (0;000) ✗ 06/10/16
CuBi(WO4)2 ICSD 67569 P1 (1) ✗ 12 130 3 0.9085 0.914 0.000 (0;000) ✗ 11/04/17
Sb2O5 COD 9011205 C2/c (15) ✔ 14 80 3 0.9086 0.925 0.000 (0;000) ✗ 27/01/17
GaCuO2 ICSD 60846 R-3m (166) ✔ 4 36 3 0.9088 1.630 0.000 (0;000) ✗ 27/01/17
Ca2CrN3 COD 7012864 P-1 (2) ✔ 12 98 1 0.9093 1.042 0.000 (0;000) ✗ 27/01/17
AuCN ICSD 165175 P6mm (183) ✗ 3 20 3 0.9094 1.164 0.000 (0;000) ✗ 06/10/16
KNiIO6 ICSD 60313 P312 (149) ✗ 9 62 3 0.9095 0.930 0.000 (0;000) ✗ 15/02/17
TeAsRu ICSD 611299 P2_1/c (14) ✔ 12 108 3 0.9106 1.175 0.000 (0;000) ✗ 30/01/17
Rb2PtC2 COD 1526414 P-3m1 (164) ✔ 5 36 3 0.9106 0.913 0.000 (0;000) ✗ 27/01/17
CI COD 2212043 P2_1/c (14) ✔ 24 132 1 0.9107 1.054 0.000 (0;000) ✗ 04/08/17
Na3AlAs2 ICSD 63149 Ibam (72) ✔ 12 80 1 0.9112 1.002 0.000 (0;000) ✗ 30/01/17
Sc2S3 ICSD 22236 Fddd (70) ✔ 20 160 3 0.912 0.927 0.000 (0;000) ✗ 29/03/17
Hg2IO COD 9015189 C2/c (15) ✔ 16 148 3 0.9124 1.064 0.000 (0;000) ✗ 02/02/17
Mg(ScSe2)2 ICSD 642814 Fd-3m (227) ✔ 14 112 3 0.9141 0.914 0.000 (0;000) ✗ 02/02/17
RbInTe2 ICSD 75346 I4/mcm (140) ✔ 8 68 1 0.9151 1.411 0.000 (0;000) ✗ 02/02/17
Ba(AgS)2 COD 1509711 P-3m1 (164) ✔ 5 44 2 0.9156 0.916 0.000 (0;000) ✗ 05/01/17
Ta2Te4Br10O ICSD 401906 P-1 (2) ✔ 17 126 2 0.9159 1.069 0.000 (0;000) ✗ 02/02/17
Rb2PdCl6 COD 1010889 Fm-3m (225) ✔ 9 78 1 0.9163 0.957 0.000 (0;000) ✗ 02/02/17
Ba2PCl ICSD 28134 R-3m (166) ✔ 4 32 1 0.9165 0.956 0.000 (0;000) ✗ 05/01/17
SrLi4N2 ICSD 87413 I4_1/amd (141) ✔ 14 64 1 0.9167 1.149 0.000 (0;000) ✗ 29/03/17
CsCuO2 COD 1527507 Cmcm (63) ✔ 8 64 2 0.9188 1.187 0.000 (0;000) ✗ 27/01/17
Nb(SeBr)2 COD 4031460 P-1 (2) ✔ 10 78 2 0.919 0.973 0.000 (0;000) ✗ 02/02/17
As2Ir COD 9009907 P2_1/c (14) ✔ 12 108 3 0.92 0.945 0.000 (0;000) ✗ 30/01/17
BaLiP ICSD 416890 P6_3/mmc (194) ✔ 6 36 1 0.9216 0.963 0.000 (0;000) ✗ 05/01/17
Ca2SiO4 ICSD 182052 P-3m1 (164) ✔ 14 96 1 0.9223 0.925 0.000 (0;000) ✗ 27/01/17
KCuO2 COD 1530993 Cmcm (63) ✔ 8 64 2 0.923 1.302 0.000 (0;000) ✗ 27/01/17
Ag3SbS3 COD 9015009 R3c (161) ✗ 14 112 3 0.923 1.494 0.000 (0;000) ✗ 16/03/17
RbYTe2 ICSD 419996 P6_3/mmc (194) ✔ 8 64 2 0.923 1.605 0.000 (0;000) ✗ 02/02/17
As2Ir ICSD 42573 P2_1/c (14) ✔ 12 76 3 0.9232 1.038 0.000 (0;000) ✗ 06/10/16
TiO2 ICSD 189324 P-62m (189) ✗ 9 72 3 0.9234 0.923 0.000 (0;000) ✗ 06/10/16
KInTe2 COD 2001367 I4/mcm (140) ✔ 8 68 1 0.9234 1.267 0.000 (0;000) ✗ 02/02/17
KClO3 ICSD 9483 R3m (160) ✗ 5 34 2 0.924 0.993 0.000 (0;000) ✗ 06/10/16
Cd(InSe2)2 ICSD 151953 P-42m (111) ✗ 7 62 3 0.9242 0.924 0.000 (0;000) ✗ 07/10/16
BaSnS3 ICSD 616071 Pnma (62) ✔ 20 168 2 0.9252 1.180 0.000 (0;000) ✗ 02/02/17
Zn(RhO2)2 ICSD 109298 Fd-3m (227) ✔ 14 140 3 0.9258 0.934 0.000 (0;000) ✗ 27/01/17
Na2PdC2 ICSD 50172 P-3m1 (164) ✔ 5 44 3 0.926 1.020 0.000 (0;000) ✗ 27/01/17
OsCl4O ICSD 417247 P2_1/c (14) ✔ 24 200 1 0.926 0.942 0.000 (0;000) ✗ 04/08/17
SbSI ICSD 85299 P2_12_12_1 (19) ✗ 12 72 3 0.9264 1.109 0.000 (0;000) ✗ 06/10/16
Rb2PdSe2 ICSD 648724 Immm (71) ✔ 5 48 1 0.9267 1.384 0.000 (0;000) ✗ 27/01/17
Cs2PtBr6 ICSD 77381 Fm-3m (225) ✔ 9 70 1 0.9269 0.961 0.000 (0;000) ✗ 02/02/17
K3BrO ICSD 33920 Pm-3m (221) ✔ 5 40 1 0.9272 0.927 0.000 (0;000) ✗ 27/01/17
Tl2Sn(AsS3)2 COD 9012866 P-3 (147) ✔ 11 86 2 0.9286 0.958 0.000 (0;000) ✗ 30/01/17
TlPd3O4 ICSD 2275 Fm-3m (225) ✔ 16 182 3 0.9298 0.930 0.000 (0;000) ✗ 02/02/17
Hg2BrN ICSD 24706 P6_3/mmc (194) ✔ 16 144 3 0.9311 1.143 0.000 (0;000) ✗ 02/02/17
LiYMo3O8 ICSD 28526 P3m1 (156) ✗ 13 104 3 0.9313 0.931 0.000 (0;000) ✗ 15/02/17
InBi2Se4Br ICSD 159465 C2/m (12) ✔ 16 148 3 0.9314 0.934 0.000 (0;000) ✗ 02/02/17
SbSI ICSD 85298 P2_12_12_1 (19) ✗ 12 72 3 0.9316 1.107 0.000 (0;000) ✗ 06/10/16
CuI ICSD 24772 P6_3mc (186) ✗ 4 36 3 0.9338 0.934 0.000 (0;000) ✗ 06/10/16
PbSe ICSD 74334 F2mm (42) ✗ 4 40 2 0.9339 0.934 0.000 (0;000) ✗ 06/10/16
SbSI ICSD 85300 P2_12_12_1 (19) ✗ 12 72 3 0.9346 1.110 0.000 (0;000) ✗ 06/10/16
Cd(GaTe2)2 ICSD 659216 I-4 (82) ✗ 7 62 3 0.9348 0.935 0.000 (0;000) ✗ 06/10/16
Cd(GaTe2)2 ICSD 603660 I-4 (82) ✗ 7 62 3 0.9356 0.936 0.000 (0;000) ✗ 06/10/16
Ga2HgSe4 ICSD 290394 I-4 (82) ✗ 7 62 3 0.9364 0.936 0.000 (0;000) ✗ 06/10/16
NaMgAs COD 9008321 P4/nmm (129) ✔ 6 48 1 0.9367 0.937 0.000 (0;000) ✗ 05/01/17
Cd(GaTe2)2 ICSD 656264 I-4 (82) ✗ 7 62 3 0.9368 0.937 0.000 (0;000) ✗ 06/10/16
VCu3S4 ICSD 628947 P-43m (215) ✗ 8 70 3 0.938 1.282 0.000 (0;000) ✗ 06/10/16
MgCu2SiSe4 ICSD 425556 Pmn2_1 (31) ✗ 16 120 3 0.9391 0.939 0.000 (0;000) ✗ 22/03/17
CoAsS ICSD 53938 P2_13 (198) ✗ 12 80 3 0.9398 1.239 0.000 (0;000) ✗ 06/10/16
CI4 ICSD 30789 I-42m (121) ✗ 5 32 1 0.9413 0.943 0.000 (0;000) ✗ 06/10/16
PbS ICSD 183241 Pmnb (62) ✔ 8 80 2 0.9413 0.962 0.000 (0;000) ✗ 06/10/16
SbIrS ICSD 74630 Pca2_1 (29) ✗ 12 80 3 0.9438 1.385 0.000 (0;000) ✗ 06/10/16
Rb2Pd3Se4 ICSD 648726 Fddd (70) ✔ 18 192 1 0.9443 1.050 0.000 (0;000) ✗ 29/03/17
Nb(SeCl)2 COD 1522780 P-1 (2) ✔ 10 78 2 0.9448 1.031 0.000 (0;000) ✗ 02/02/17
PtCl2 ICSD 44512 Pnnm (58) ✔ 6 48 1 0.946 1.300 0.000 (0;000) ✗ 27/01/17
Li2NiO3 ICSD 153094 C2/m (12) ✔ 12 68 2 0.9465 1.169 0.000 (0;000) ✗ 27/01/17
Ba2NF ICSD 262049 R-3m (166) ✔ 4 32 1 0.9466 0.947 0.000 (0;000) ✗ 05/01/17
RbCuO2 COD 1527506 Cmcm (63) ✔ 8 64 2 0.9467 1.340 0.000 (0;000) ✗ 27/01/17
Rb3NiF7 COD 1531513 P4/mbm (127) ✔ 22 172 1 0.9467 0.947 0.000 (0;000) ✗ 04/08/17
BiI3 COD 1010622 P-3 (147) ✔ 24 216 2 0.947 0.947 0.000 (0;000) ✗ 04/08/17
ZnSnP2 ICSD 648168 I-42d (122) ✗ 8 72 3 0.9472 0.947 0.000 (0;000) ✗ 15/02/17
Bi2S3 ICSD 153946 Pmnb (62) ✔ 20 112 2 0.9478 0.980 0.000 (0;000) ✗ 06/10/16
BaSnO3 ICSD 188149 Pm-3m (221) ✔ 5 42 3 0.9479 1.373 0.000 (0;000) ✗ 05/01/17
ZrCoBi ICSD 107120 F-43m (216) ✗ 3 36 3 0.9493 1.553 0.000 (0;000) ✗ 15/02/17
KAuBr4 COD 2008114 P2_1/c (14) ✔ 24 192 1 0.9514 0.951 0.000 (0;000) ✗ 04/08/17
KPbO2 ICSD 65501 P-1 (2) ✔ 16 140 3 0.9519 1.102 0.000 (0;000) ✗ 10/08/17
K4ZnP2 ICSD 67261 R-3m (166) ✔ 7 58 1 0.952 1.023 0.000 (0;000) ✗ 02/02/17
Na4HgP2 ICSD 67260 R-3m (166) ✔ 7 58 1 0.9525 1.103 0.000 (0;000) ✗ 27/01/17
Pb(ClO2)2 ICSD 68484 Ccce (68) ✔ 14 104 2 0.953 1.704 0.000 (0;000) ✗ 02/02/17
Ba3In2O6 COD 2002418 I4/mmm (139) ✔ 11 92 2 0.9533 1.427 0.000 (0;000) ✗ 21/03/17
PdPbF4 ICSD 108992 I4/mcm (140) ✔ 12 120 3 0.9568 1.005 0.000 (0;000) ✗ 27/01/17
CdGeP2 ICSD 100467 I-42d (122) ✗ 8 52 3 0.9575 0.958 0.000 (0;000) ✗ 07/10/16
Na2PdS2 ICSD 76533 Cmc2_1 (36) ✗ 10 80 1 0.9578 1.378 0.000 (0;000) ✗ 06/10/16
InSn2I5 ICSD 151996 I4/mcm (140) ✔ 16 152 3 0.9578 0.958 0.000 (0;000) ✗ 02/02/17
ZrPbS3 ICSD 2439 Pnma (62) ✔ 20 144 3 0.958 0.958 0.000 (0;000) ✗ 02/02/17
Ta(TeBr3)2 ICSD 401905 P-1 (2) ✔ 18 134 2 0.9582 1.001 0.000 (0;000) ✗ 02/02/17
CuI ICSD 157431 F-43m (216) ✗ 2 18 3 0.9584 0.959 0.000 (0;000) ✗ 06/10/16
Cd(GaTe2)2 ICSD 25646 I-4 (82) ✗ 7 62 3 0.959 0.959 0.000 (0;000) ✗ 06/10/16
Rb2Sn2O3 ICSD 24816 R-3m (166) ✔ 7 64 2 0.9604 0.960 0.000 (0;000) ✗ 27/01/17
K2VCuSe4 ICSD 84303 Fddd (70) ✔ 16 132 1 0.9604 1.170 0.000 (0;000) ✗ 02/02/17
Ga2HgSe4 ICSD 188545 I-4 (82) ✗ 7 62 3 0.9606 0.961 0.000 (0;000) ✗ 06/10/16
Ga2HgSe4 ICSD 290392 I-4 (82) ✗ 7 62 3 0.9606 0.961 0.000 (0;000) ✗ 06/10/16
PbS ICSD 183243 R3m (160) ✗ 2 20 2 0.9607 0.966 0.000 (0;000) ✗ 06/10/16
CoAsS ICSD 69129 P2_1ab (29) ✗ 12 80 3 0.9611 1.126 0.000 (0;000) ✗ 06/10/16
Tl3BS3 COD 1511323 P2_1/m (11) ✔ 14 120 3 0.9641 1.129 0.000 (0;000) ✗ 02/02/17
SiO2 COD 4124082 Pcca (54) ✔ 24 128 3 0.9643 0.964 0.000 (0;000) ✗ 04/08/17
Au2S COD 1510461 Pn-3m (224) ✔ 6 56 3 0.9644 0.964 0.000 (0;000) ✗ 05/01/17
BaSe3 ICSD 16359 P-42_1m (113) ✗ 8 56 1 0.9646 1.065 0.000 (0;000) ✗ 06/10/16
BaScCuS3 ICSD 659165 Cmcm (63) ✔ 12 100 2 0.9651 1.125 0.000 (0;000) ✗ 02/02/17
Na2NiO2 ICSD 14159 Cmc2_1 (36) ✗ 10 80 1 0.9652 1.341 0.000 (0;000) ✗ 06/10/16
Ba(MgAs)2 ICSD 30916 P-3m1 (164) ✔ 5 40 2 0.9654 1.350 0.000 (0;000) ✗ 05/01/17
VAgHgO4 COD 4308659 C2 (5) ✗ 14 120 3 0.9655 1.513 0.000 (0;000) ✗ 15/02/17
K2Ag2SnSe4 ICSD 90119 P2/c (13) ✔ 18 156 2 0.9661 0.966 0.000 (0;000) ✗ 30/01/17
HgSO4 ICSD 28402 Pc (7) ✗ 12 84 3 0.9664 1.331 0.000 (0;000) ✗ 06/10/16
NaAuSe2 COD 1510244 P2_1/c (14) ✔ 16 128 2 0.9668 1.097 0.000 (0;000) ✗ 02/02/17
SrZrS3 ICSD 23287 Pnma (62) ✔ 20 128 3 0.9675 0.968 0.000 (0;000) ✗ 02/02/17
CdBiSe2I ICSD 171727 C2/m (12) ✔ 10 92 3 0.9676 1.041 0.000 (0;000) ✗ 02/02/17
K2VAgSe4 ICSD 50461 Fddd (70) ✔ 16 132 1 0.9678 1.066 0.000 (0;000) ✗ 16/03/17
Sr2GaCuSO3 ICSD 83630 P4/nmm (129) ✔ 16 136 1 0.9682 0.968 0.000 (0;000) ✗ 02/02/17
I COD 1010091 Cmce (64) ✔ 4 28 1 0.9685 1.149 0.000 (0;000) ✗ 30/01/17
CoAsS ICSD 41758 Pca2_1 (29) ✗ 12 80 3 0.9695 1.147 0.000 (0;000) ✗ 06/10/16
Hg(AsO3)2 COD 8101392 P-31m (162) ✔ 9 58 3 0.9726 1.700 0.000 (0;000) ✗ 05/01/17
NaCoO2 ICSD 96428 R-3m (166) ✔ 4 38 2 0.9734 1.050 0.000 (0;000) ✗ 27/01/17
P2Pd2O7 ICSD 415239 C2/c (15) ✔ 22 176 3 0.9739 1.000 0.000 (0;000) ✗ 07/08/17
Bi2S3 ICSD 201066 Pmcn (62) ✔ 20 112 2 0.9742 1.010 0.000 (0;000) ✗ 06/10/16
Ba2BrN ICSD 262056 R-3m (166) ✔ 4 32 1 0.9748 0.975 0.000 (0;000) ✗ 05/01/17
CoAsS ICSD 41757 Pca2_1 (29) ✗ 12 80 3 0.9749 1.154 0.000 (0;000) ✗ 06/10/16
AlSb ICSD 151218 F-43m (216) ✗ 2 8 3 0.9754 1.422 0.000 (0;000) ✗ 06/10/16
K2Sn2O3 COD 1527186 R-3m (166) ✔ 7 64 2 0.9774 0.977 0.000 (0;000) ✗ 27/01/17
Re3Se4Cl ICSD 35623 P-1 (2) ✔ 16 152 3 0.9776 1.114 0.000 (0;000) ✗ 02/02/17
CsK2Sb ICSD 53237 Fm-3m (225) ✔ 4 32 1 0.9783 0.978 0.000 (0;000) ✗ 27/01/17
CuRhO2 COD 1008162 R-3m (166) ✔ 4 40 3 0.9783 1.390 0.000 (0;000) ✗ 27/01/17
KTlO2 ICSD 33553 R-3m (166) ✔ 4 34 2 0.9793 1.140 0.000 (0;000) ✗ 27/01/17
Sr(Li2P)2 ICSD 416888 R-3m (166) ✔ 7 32 1 0.9815 1.785 0.000 (0;000) ✗ 27/01/17
Ba2SiTe4 ICSD 49751 P2_1/m (11) ✔ 14 96 1 0.9821 1.021 0.000 (0;000) ✗ 02/02/17
PbO ICSD 99777 P1 (1) ✗ 8 80 2 0.9824 0.982 0.000 (0;000) ✗ 06/10/16
K2PbO3 ICSD 22063 Cmc2_1 (36) ✗ 12 100 1 0.9829 0.983 0.000 (0;000) ✗ 06/10/16
NiO2 COD 1522025 C2/m (12) ✔ 3 22 2 0.9834 1.142 0.000 (0;000) ✗ 27/01/17
NiO2 ICSD 88720 C2/m (12) ✔ 3 22 2 0.9834 1.142 0.000 (0;000) ✗ 06/10/16
Cd(SbO3)2 ICSD 71028 P-31m (162) ✔ 9 58 3 0.9839 1.275 0.000 (0;000) ✗ 27/01/17
PICl6 ICSD 26594 P-42_1m (113) ✗ 16 108 1 0.9841 1.058 0.000 (0;000) ✗ 22/03/17
WS2 COD 9009145 P6_3/mmc (194) ✔ 6 80 2 0.9842 1.553 0.000 (0;000) ✗ 11/04/17
Ag2PbO2 COD 1509690 C2/c (15) ✔ 10 96 3 0.9851 1.337 0.000 (0;000) ✗ 05/01/17
Zn(SbO3)2 COD 9012739 P4_2/mnm (136) ✔ 18 116 3 0.9854 1.087 0.000 (0;000) ✗ 02/02/17
Cd(InSe2)2 ICSD 620044 I-42m (121) ✗ 7 62 3 0.9858 0.986 0.000 (0;000) ✗ 15/02/17
KY2CuS4 ICSD 97557 Cmcm (63) ✔ 16 132 3 0.986 1.095 0.000 (0;000) ✗ 02/02/17
Ta(ICl)2 ICSD 69688 Immm (71) ✔ 10 82 1 0.9886 0.996 0.000 (0;000) ✗ 02/02/17
K2Sn2O3 ICSD 40463 I2_13 (199) ✗ 14 128 3 0.9897 0.999 0.000 (0;000) ✗ 29/03/17
ZrS3 ICSD 42073 P2_1/m (11) ✔ 8 44 2 0.9911 1.042 0.000 (0;000) ✗ 27/01/17
VCu3S4 ICSD 183993 P-43m (215) ✗ 8 70 3 0.9913 1.332 0.000 (0;000) ✗ 06/10/16
AgCO2 ICSD 109600 P2_1/c (14) ✔ 16 108 3 0.9917 1.322 0.000 (0;000) ✗ 27/01/17
Rb2Pt3S4 ICSD 26267 Fmmm (69) ✔ 9 72 1 0.9917 1.169 0.000 (0;000) ✗ 02/02/17
CdSb2Se3Br2 ICSD 159464 C2/m (12) ✔ 16 108 3 0.9933 1.005 0.000 (0;000) ✗ 02/02/17
HfS2 ICSD 601164 P-3m1 (164) ✔ 3 24 2 0.9936 1.854 0.000 (0;000) ✗ 06/10/16
K2Pd3Se4 ICSD 641300 Fddd (70) ✔ 18 192 1 0.994 1.098 0.000 (0;000) ✗ 29/03/17
GeSe2 ICSD 90956 I-4 (82) ✗ 6 32 3 0.9941 1.393 0.000 (0;000) ✗ 06/10/16
Cd2P3I ICSD 100816 Cc (9) ✗ 12 92 3 0.9951 1.364 0.000 (0;000) ✗ 06/10/16
Hg2P3Br ICSD 74770 Pbcn (60) ✔ 24 184 3 0.9959 1.171 0.000 (0;000) ✗ 04/08/17
SrLiAs COD 4335613 Pnma (62) ✔ 12 72 1 0.996 0.996 0.000 (0;000) ✗ 30/01/17
CsTe ICSD 83351 Pbam (55) ✔ 8 60 1 0.9969 1.077 0.000 (0;000) ✗ 02/02/17
KBa4Sb3O ICSD 410747 I4/mcm (140) ✔ 18 140 1 0.9969 1.041 0.000 (0;000) ✗ 02/02/17
Hf3N4 ICSD 97997 I-43d (220) ✗ 14 112 3 0.9972 0.999 0.000 (0;000) ✗ 15/02/17
CsTeSe3 ICSD 84993 P2_1/c (14) ✔ 20 132 3 0.9985 1.018 0.000 (0;000) ✗ 02/02/17
Ba2NCl ICSD 262051 R-3m (166) ✔ 4 32 1 0.9986 0.999 0.000 (0;000) ✗ 05/01/17
BaSO2 COD 1524206 Pnma (62) ✔ 16 112 1 0.999 1.033 0.000 (0;000) ✗ 02/02/17
TiCoSb ICSD 169161 F-43m (216) ✗ 3 34 3 0.9996 1.647 0.000 (0;000) ✗ 15/02/17
HfS2 ICSD 638847 P-3m1 (164) ✔ 3 24 2 1.0013 1.870 0.000 (0;000) ✗ 27/01/17
PbS ICSD 68701 Cm2e (39) ✗ 4 40 2 1.0016 1.003 0.000 (0;000) ✗ 06/10/16
SnS ICSD 67442 Cm2e (39) ✗ 4 40 2 1.0017 1.005 0.000 (0;000) ✗ 06/10/16
AlCuTe2 ICSD 165742 I-42d (122) ✗ 8 52 3 1.002 1.002 0.000 (0;000) ✗ 07/10/16
Fe(SiP)4 ICSD 79005 P1 (1) ✗ 9 44 3 1.0026 1.287 0.000 (0;000) ✗ 06/10/16
Rb2SiAs2 ICSD 60617 Ibam (72) ✔ 10 64 1 1.0031 1.379 0.000 (0;000) ✗ 30/01/17
HgBr2 ICSD 151889 P3 (143) ✗ 9 78 2 1.0032 1.272 0.000 (0;000) ✗ 06/10/16
Ca3(GaP2)2 ICSD 423781 C2/c (15) ✔ 18 152 2 1.0033 1.112 0.000 (0;000) ✗ 02/02/17
NaSi ICSD 174082 C2/c (15) ✔ 16 104 1 1.0045 1.393 0.000 (0;000) ✗ 02/02/17
Ag2HgI4 ICSD 150343 I-4 (82) ✗ 7 62 3 1.0055 1.006 0.000 (0;000) ✗ 06/10/16
GaSe ICSD 601159 P-6m2 (187) ✗ 8 76 2 1.0062 1.006 0.000 (0;000) ✗ 06/10/16
CoHO2 COD 9009884 R-3m (166) ✔ 4 30 3 1.0064 1.165 0.000 (0;000) ✗ 27/01/17
Li3N COD 4311893 P6/mmm (191) ✔ 4 14 0 1.0073 1.215 0.000 (0;000) ✗ 27/01/17
Ag2HgI4 ICSD 25592 I-4 (82) ✗ 7 62 3 1.0077 1.008 0.000 (0;000) ✗ 06/10/16
Au2Se2O7 COD 7209412 Pba2 (32) ✗ 22 152 2 1.0081 1.035 0.000 (0;000) ✗ 07/08/17
BaNiO3 ICSD 15761 Ccm2_1 (36) ✗ 10 76 1 1.009 1.179 0.000 (0;000) ✗ 06/10/16
BaSe2 COD 7221479 C2/c (15) ✔ 6 44 1 1.009 1.076 0.000 (0;000) ✗ 05/01/17
BaSe2 ICSD 16358 C2/c (15) ✔ 6 44 1 1.009 1.076 0.000 (0;000) ✗ 06/10/16
VCu3S4 ICSD 402891 P-43m (215) ✗ 8 70 3 1.0094 1.363 0.000 (0;000) ✗ 06/10/16
CaZrS3 ICSD 23286 Pnma (62) ✔ 20 128 3 1.0094 1.009 0.000 (0;000) ✗ 02/02/17
K2SiAs2 ICSD 40426 Ibam (72) ✔ 10 64 1 1.0103 1.409 0.000 (0;000) ✗ 30/01/17
K4Br2O ICSD 68505 I4/mmm (139) ✔ 7 56 1 1.0113 1.011 0.000 (0;000) ✗ 02/02/17
TeAuBr8 COD 7209429 P-1 (2) ✔ 20 146 2 1.0117 1.035 0.000 (0;000) ✗ 30/01/17
Ag3AsS3 COD 9009991 R3c (161) ✗ 14 112 3 1.0119 1.589 0.000 (0;000) ✗ 16/03/17
VCu3S4 ICSD 1414 P-43m (215) ✗ 8 70 3 1.012 1.366 0.000 (0;000) ✗ 06/10/16
VCu3S4 ICSD 15490 P-43m (215) ✗ 8 70 3 1.0125 1.367 0.000 (0;000) ✗ 06/10/16
TaCu3Te4 ICSD 80282 P-43m (215) ✗ 8 70 3 1.0131 1.581 0.000 (0;000) ✗ 06/10/16
TaCu3Te4 ICSD 629308 P-43m (215) ✗ 8 70 3 1.0132 1.582 0.000 (0;000) ✗ 06/10/16
InSb2Se4Br ICSD 159466 C2/m (12) ✔ 16 108 3 1.014 1.016 0.000 (0;000) ✗ 02/02/17
Pb3SO6 ICSD 30712 Cmcm (63) ✔ 20 168 3 1.014 1.014 0.000 (0;000) ✗ 02/02/17
Cs(SbSe2)2 ICSD 61220 P-1 (2) ✔ 14 86 3 1.0148 1.474 0.000 (0;000) ✗ 02/02/17
CdPdF6 ICSD 26166 R-3 (148) ✔ 8 72 3 1.0151 1.046 0.000 (0;000) ✗ 27/01/17
Ba2In2O5 COD 1521023 Ima2 (46) ✗ 18 152 3 1.0151 1.015 0.000 (0;000) ✗ 21/03/17
CaPbO3 ICSD 87825 Pnma (62) ✔ 20 168 3 1.0162 1.016 0.000 (0;000) ✗ 02/02/17
SrAgSeF ICSD 183710 P4/nmm (129) ✔ 8 68 1 1.0163 1.016 0.000 (0;000) ✗ 05/01/17
BaPt2S3 COD 1530109 P4_12_12 (92) ✗ 24 192 3 1.0174 1.212 0.000 (0;000) ✗ 04/08/17
RbS ICSD 73176 P-62m (189) ✗ 12 90 1 1.0177 1.286 0.000 (0;000) ✗ 29/03/17
CsTeAu COD 1510107 Pmma (51) ✔ 6 52 2 1.0182 1.018 0.000 (0;000) ✗ 02/02/17
ZnTe ICSD 104196 F-43m (216) ✗ 2 18 3 1.0183 1.018 0.000 (0;000) ✗ 06/10/16
Cs2SnAs2 COD 1008524 Ibam (72) ✔ 10 84 1 1.0186 1.361 0.000 (0;000) ✗ 30/01/17
Tl2Hg3Se4 COD 4000818 C2/c (15) ✔ 18 172 3 1.0186 1.019 0.000 (0;000) ✗ 02/02/17
K2PtSe2 ICSD 40430 Immm (71) ✔ 5 40 1 1.0192 1.560 0.000 (0;000) ✗ 27/01/17
Tl2PdCl4 COD 1521908 P4/mmm (123) ✔ 7 72 1 1.0199 1.472 0.000 (0;000) ✗ 02/02/17
K4HgP2 ICSD 67263 R-3m (166) ✔ 7 58 1 1.021 1.064 0.000 (0;000) ✗ 02/02/17
VCu3S4 ICSD 628955 P-43m (215) ✗ 8 70 3 1.021 1.375 0.000 (0;000) ✗ 06/10/16
K2PtBr6 COD 5910135 Fm-3m (225) ✔ 9 70 1 1.0213 1.115 0.000 (0;000) ✗ 02/02/17
VCu3S4 ICSD 628945 P-43m (215) ✗ 8 70 3 1.0222 1.377 0.000 (0;000) ✗ 06/10/16
NaI COD 9015919 I4_1/amd (141) ✔ 4 32 1 1.0237 1.101 0.000 (0;000) ✗ 30/01/17
AgI ICSD 28230 P4/nmm (129) ✔ 4 36 2 1.0238 1.024 0.000 (0;000) ✗ 06/10/16
ZrI4 ICSD 62243 P-1 (2) ✔ 20 128 1 1.0239 1.068 0.000 (0;000) ✗ 02/02/17
Rb2VAgSe4 ICSD 50462 Fddd (70) ✔ 16 132 1 1.0242 1.178 0.000 (0;000) ✗ 16/03/17
BaYCuSe3 ICSD 659169 Cmcm (63) ✔ 12 100 2 1.0243 1.216 0.000 (0;000) ✗ 02/02/17
Ca3(AlAs2)2 ICSD 60161 C2/c (15) ✔ 18 112 2 1.0249 1.025 0.000 (0;000) ✗ 30/01/17
KPAuSe3 ICSD 165322 C2/m (12) ✔ 12 86 1 1.0257 1.089 0.000 (0;000) ✗ 02/02/17
Ag2HgI4 ICSD 6069 I-4 (82) ✗ 7 62 3 1.0269 1.027 0.000 (0;000) ✗ 06/10/16
RbTlO2 ICSD 33554 R-3m (166) ✔ 4 34 2 1.027 1.160 0.000 (0;000) ✗ 27/01/17
Hg2GeO4 ICSD 26340 Fddd (70) ✔ 14 104 3 1.0281 1.146 0.000 (0;000) ✗ 02/02/17
Ga2Se3 ICSD 35028 Cc (9) ✗ 10 88 3 1.0285 1.029 0.000 (0;000) ✗ 06/10/16
VCu3S4 ICSD 628957 P-43m (215) ✗ 8 70 3 1.0285 1.386 0.000 (0;000) ✗ 06/10/16
HgSeO4 ICSD 412403 Pnm2_1 (31) ✗ 12 84 3 1.0293 1.345 0.000 (0;000) ✗ 06/10/16
Cd2P3Br ICSD 100817 Cc (9) ✗ 12 92 3 1.0294 1.383 0.000 (0;000) ✗ 06/10/16
VCu3S4 ICSD 36298 P-43m (215) ✗ 8 70 3 1.0298 1.388 0.000 (0;000) ✗ 06/10/16
MgGeAs2 ICSD 182368 I-42d (122) ✗ 8 48 3 1.0302 1.030 0.000 (0;000) ✗ 07/10/16
Rb3Sb2Au3 COD 1510512 R-3m (166) ✔ 8 70 2 1.0302 1.161 0.000 (0;000) ✗ 30/01/17
SbRhS ICSD 650233 P2_13 (198) ✗ 12 112 3 1.0306 1.277 0.000 (0;000) ✗ 06/10/16
Rb4CO4 ICSD 245433 Cm (8) ✗ 9 64 3 1.0307 1.136 0.000 (0;000) ✗ 06/10/16
HfSnS3 ICSD 65667 Pnma (62) ✔ 20 176 2 1.0307 1.041 0.000 (0;000) ✗ 02/02/17
NaNbN2 ICSD 657407 R-3m (166) ✔ 4 32 2 1.0313 1.255 0.000 (0;000) ✗ 27/01/17
CsAu COD 1517937 Pm-3m (221) ✔ 2 20 3 1.0321 1.117 0.000 (0;000) ✗ 05/01/17
ZnSnO3 ICSD 165122 R3c (161) ✗ 10 88 3 1.0327 1.033 0.000 (0;000) ✗ 06/10/16
GaS ICSD 635254 P6_3/mmc (194) ✔ 8 76 2 1.0343 1.618 0.000 (0;000) ✗ 27/01/17
GaCuS2 ICSD 156786 I-42d (122) ✗ 8 72 3 1.0348 1.035 0.000 (0;000) ✗ 07/10/16
Tl2GeSe3 ICSD 35043 P-1 (2) ✔ 12 96 2 1.0351 1.142 0.000 (0;000) ✗ 02/02/17
PAuS4 COD 1510268 P-1 (2) ✔ 12 80 1 1.0351 1.410 0.000 (0;000) ✗ 02/02/17
MgCu2GeS4 ICSD 425555 Pmn2_1 (31) ✗ 16 120 3 1.0352 1.035 0.000 (0;000) ✗ 22/03/17
VCu3S4 ICSD 36169 P-43m (215) ✗ 8 70 3 1.0355 1.396 0.000 (0;000) ✗ 06/10/16
K2P3 ICSD 33260 Fddd (70) ✔ 20 132 1 1.0357 1.037 0.000 (0;000) ✗ 02/02/17
Cd(GaSe2)2 ICSD 2287 I-4 (82) ✗ 7 62 3 1.0358 1.036 0.000 (0;000) ✗ 06/10/16
GaSe ICSD 73388 R3m (160) ✗ 4 38 2 1.036 1.036 0.000 (0;000) ✗ 06/10/16
Ga2HgSe4 ICSD 83712 I-4 (82) ✗ 7 62 3 1.0363 1.036 0.000 (0;000) ✗ 06/10/16
ZrTe2Br5 ICSD 69975 C2/m (12) ✔ 16 102 2 1.0371 1.115 0.000 (0;000) ✗ 02/02/17
NaSnN ICSD 172471 P6_3mc (186) ✗ 6 56 1 1.0378 1.340 0.000 (0;000) ✗ 06/10/16
Rb(CO)3 COD 7051226 C2/m (12) ✔ 14 78 1 1.0399 1.080 0.000 (0;000) ✗ 27/01/17
K2Pb2O3 COD 1527769 I2_13 (199) ✗ 14 128 3 1.0401 1.048 0.000 (0;000) ✗ 29/03/17
PtI2 ICSD 60760 P2_1/c (14) ✔ 12 96 2 1.0407 1.064 0.000 (0;000) ✗ 02/02/17
VInO4 COD 4336636 P2/c (13) ✔ 12 100 3 1.0414 1.150 0.000 (0;000) ✗ 27/01/17
RbBiS2 ICSD 52735 R-3m (166) ✔ 4 36 2 1.0427 1.171 0.000 (0;000) ✗ 05/01/17
TiTlPS5 COD 4000515 P-1 (2) ✔ 16 120 2 1.0432 1.122 0.000 (0;000) ✗ 02/02/17
Cu2WS4 ICSD 72529 P-42m (111) ✗ 7 74 2 1.0439 1.432 0.000 (0;000) ✗ 11/04/17
Cs2Pd3Se4 ICSD 33892 Fmmm (69) ✔ 9 96 1 1.0442 1.135 0.000 (0;000) ✗ 02/02/17
NaInSe2 ICSD 25558 R-3m (166) ✔ 4 34 2 1.0445 1.212 0.000 (0;000) ✗ 27/01/17
Rb2PtSe2 ICSD 40431 Immm (71) ✔ 5 40 1 1.045 1.548 0.000 (0;000) ✗ 27/01/17
BaCdO2 ICSD 25555 Pnma (62) ✔ 16 136 3 1.0459 1.070 0.000 (0;000) ✗ 02/02/17
Ba2HN COD 4030485 R-3m (166) ✔ 4 26 1 1.046 1.336 0.000 (0;000) ✗ 05/01/17
ClO3 ICSD 61334 Cc (9) ✗ 16 100 1 1.0463 1.055 0.000 (0;000) ✗ 22/03/17
Bi(TeBr2)2 ICSD 83806 P-1 (2) ✔ 14 110 3 1.0464 1.099 0.000 (0;000) ✗ 02/02/17
KAuO2 COD 1510202 Pmmm (47) ✔ 4 32 1 1.0493 1.524 0.000 (0;000) ✗ 05/01/17
SbTeIr ICSD 640967 P2_13 (198) ✗ 12 112 3 1.0495 1.421 0.000 (0;000) ✗ 29/03/17
CaPdF4 ICSD 32674 I4/mcm (140) ✔ 12 112 1 1.0496 1.050 0.000 (0;000) ✗ 27/01/17
LiAuS COD 4319429 Fddd (70) ✔ 12 80 3 1.05 1.050 0.000 (0;000) ✗ 02/02/17
P2Pd3S8 COD 1527147 P-3m1 (164) ✔ 13 112 3 1.0522 1.053 0.000 (0;000) ✗ 02/02/17
Sn4SI6 COD 7221344 C2/m (12) ✔ 22 208 3 1.0535 1.123 0.000 (0;000) ✗ 07/08/17
VPO5 ICSD 108983 P4/n (85) ✔ 14 96 3 1.0535 1.201 0.000 (0;000) ✗ 27/01/17
Mg3P2 COD 1011277 Pn-3m (224) ✔ 10 80 1 1.0541 1.179 0.000 (0;000) ✗ 02/02/17
CrHg5O6 COD 9004355 C2/c (15) ✔ 24 220 3 1.055 1.166 0.000 (0;000) ✗ 04/08/17
K2P2Pd ICSD 15584 Cmcm (63) ✔ 10 92 1 1.0553 1.099 0.000 (0;000) ✗ 02/02/17
Al2HgTe4 ICSD 25641 I-4 (82) ✗ 7 42 3 1.0557 1.056 0.000 (0;000) ✗ 06/10/16
TlP5 COD 1527898 Pmc2_1 (26) ✗ 24 152 1 1.0559 1.181 0.000 (0;000) ✗ 04/08/17
Y2Se3 ICSD 652183 Fddd (70) ✔ 20 160 3 1.0568 1.111 0.000 (0;000) ✗ 02/02/17
Au2O3 COD 2105390 Fdd2 (43) ✗ 10 80 3 1.0569 1.226 0.000 (0;000) ✗ 15/02/17
BaS COD 9016579 Pnma (62) ✔ 8 64 1 1.0583 1.097 0.000 (0;000) ✗ 02/02/17
CsSiTe3 ICSD 61397 Cc (9) ✗ 20 124 1 1.0584 1.058 0.000 (0;000) ✗ 22/03/17
P2Pt COD 9015563 Pa3 (205) ✔ 12 80 3 1.0589 1.460 0.000 (0;000) ✗ 27/01/17
PbS ICSD 68712 C2 (5) ✗ 4 40 2 1.0591 1.094 0.000 (0;000) ✗ 06/10/16
SbTe2F6 COD 4031419 P-1 (2) ✔ 18 118 2 1.0596 1.284 0.000 (0;000) ✗ 02/02/17
CsCuO ICSD 40161 Cmcm (63) ✔ 6 52 3 1.0614 1.065 0.000 (0;000) ✗ 27/01/17
PdSe2O5 COD 4333284 C2/c (15) ✔ 16 120 2 1.0614 1.064 0.000 (0;000) ✗ 02/02/17
SnSe ICSD 71338 P4/nmm (129) ✔ 4 40 2 1.0615 1.067 0.000 (0;000) ✗ 06/10/16
Ca(CuS)2 COD 4001658 P-3m1 (164) ✔ 5 44 2 1.0638 1.064 0.000 (0;000) ✗ 27/01/17
LiInMo3O8 ICSD 30579 P3m1 (156) ✗ 13 106 3 1.0638 1.091 0.000 (0;000) ✗ 15/02/17
Y2CdS4 ICSD 620371 Fd-3m (227) ✔ 14 116 3 1.0639 1.064 0.000 (0;000) ✗ 02/02/17
LiCoO2 COD 4505482 R-3m (166) ✔ 4 32 2 1.0657 1.109 0.000 (0;000) ✗ 27/01/17
TaCl4 ICSD 402406 C2/m (12) ✔ 10 82 1 1.0671 1.181 0.000 (0;000) ✗ 02/02/17
AlAgSe2 ICSD 28745 I-42d (122) ✗ 8 52 3 1.0674 1.073 0.000 (0;000) ✗ 07/10/16
HfAg2S3 COD 1509813 Cmce (64) ✔ 24 208 3 1.0678 1.340 0.000 (0;000) ✗ 04/08/17
Na2ZrSe3 ICSD 412158 C2/m (12) ✔ 12 80 2 1.0681 1.371 0.000 (0;000) ✗ 02/02/17
In5S5Br ICSD 414219 Pmn2_1 (31) ✗ 22 204 3 1.0705 1.216 0.000 (0;000) ✗ 07/08/17
K2CuSb ICSD 53298 Cmcm (63) ✔ 8 68 1 1.0717 1.239 0.000 (0;000) ✗ 02/02/17
SnS ICSD 79374 C2me (39) ✗ 4 40 2 1.0723 1.072 0.000 (0;000) ✗ 06/10/16
BiI3 ICSD 187304 P-31m (162) ✔ 8 72 2 1.0725 1.073 0.000 (0;000) ✗ 02/02/17
BAs ICSD 181292 F-43m (216) ✗ 2 8 3 1.0744 3.121 0.000 (0;000) ✗ 06/10/16
Ag2TeS3 ICSD 85135 Cc (9) ✗ 12 92 3 1.0746 1.075 0.000 (0;000) ✗ 06/10/16
PRhSe ICSD 648002 P2_13 (198) ✗ 12 112 3 1.0753 1.349 0.000 (0;000) ✗ 15/02/17
CdBiSe2Br ICSD 171726 Pnma (62) ✔ 20 184 3 1.0754 1.079 0.000 (0;000) ✗ 02/02/17
ReNCl4 ICSD 419181 I4 (79) ✗ 6 48 2 1.0756 1.276 0.000 (0;000) ✗ 06/10/16
K2S ICSD 27461 P6_3/mmc (194) ✔ 6 48 1 1.076 1.076 0.000 (0;000) ✗ 02/02/17
Sr3(GaP2)2 ICSD 423782 C2/c (15) ✔ 18 152 2 1.0762 1.174 0.000 (0;000) ✗ 02/02/17
SrS3 ICSD 23638 Cc2e (41) ✗ 8 56 1 1.0789 1.079 0.000 (0;000) ✗ 06/10/16
IrF3 COD 2310601 R-3c (167) ✔ 8 76 3 1.079 1.198 0.000 (0;000) ✗ 27/01/17
CdSnO3 ICSD 165167 Pnma (62) ✔ 20 176 3 1.0793 1.079 0.000 (0;000) ✗ 02/02/17
SrSnS3 ICSD 651032 Pnma (62) ✔ 20 168 2 1.0794 1.289 0.000 (0;000) ✗ 02/02/17
SbI3(BrCl3)2 ICSD 26404 P-1 (2) ✔ 12 82 1 1.0807 1.099 0.000 (0;000) ✗ 02/02/17
RbCuSe4 ICSD 404225 P2_12_12_1 (19) ✗ 24 176 1 1.0816 1.103 0.000 (0;000) ✗ 04/08/17
ZnSiAs2 ICSD 611417 I-42d (122) ✗ 8 52 3 1.0819 1.082 0.000 (0;000) ✗ 15/02/17
HgPSe3 ICSD 639132 C2/c (15) ✔ 20 140 2 1.082 1.082 0.000 (0;000) ✗ 02/02/17
Y2MgSe4 ICSD 76052 Fd-3m (227) ✔ 14 112 3 1.0839 1.084 0.000 (0;000) ✗ 02/02/17
LiAsS2 ICSD 419061 Cc (9) ✗ 8 40 1 1.0844 1.085 0.000 (0;000) ✗ 06/10/16
Rb2Pd3S4 ICSD 648723 Fddd (70) ✔ 18 192 1 1.0853 1.222 0.000 (0;000) ✗ 29/03/17
Sb2S3 COD 9007243 Pnma (62) ✔ 20 112 2 1.0863 1.086 0.000 (0;000) ✗ 02/02/17
KTeP2 COD 4105329 P2_1/m (11) ✔ 16 100 1 1.0863 1.302 0.000 (0;000) ✗ 02/02/17
Tl3SbS3 ICSD 603664 R3m (160) ✗ 7 62 2 1.0866 0.290 1.000 (0;000) ✗ 06/10/16
YCu(WO4)2 ICSD 36622 P1 (1) ✗ 12 126 3 1.0866 1.304 0.000 (0;000) ✗ 11/04/17
PdSeO3 COD 4333283 P2_1/m (11) ✔ 10 84 2 1.0869 1.368 0.000 (0;000) ✗ 27/01/17
RbCuPdSe5 COD 4313763 P2_1/m (11) ✔ 16 136 1 1.0871 1.125 0.000 (0;000) ✗ 02/02/17
ScOF COD 1525435 P2_1/c (14) ✔ 12 96 3 1.0872 1.093 0.000 (0;000) ✗ 27/01/17
Zn(InSe2)2 ICSD 25647 I-4 (82) ✗ 7 62 3 1.0876 1.088 0.000 (0;000) ✗ 06/10/16
S(IN)2 ICSD 72363 P-1 (2) ✔ 20 120 2 1.0885 1.190 0.000 (0;000) ✗ 02/02/17
Pd(Se3Cl)2 ICSD 405207 P2_1/c (14) ✔ 18 136 1 1.0887 1.107 0.000 (0;000) ✗ 02/02/17
HgI2 COD 2103470 P4_2/nmc (137) ✔ 24 208 3 1.0894 1.089 0.000 (0;000) ✗ 04/08/17
Tl2TeS3 COD 4001280 Pnma (62) ✔ 24 200 1 1.0895 1.190 0.000 (0;000) ✗ 04/08/17
K3Ag3As2 COD 7209371 R-3m (166) ✔ 8 70 1 1.0898 1.090 0.000 (0;000) ✗ 30/01/17
BaP10 ICSD 35295 Cmc2_1 (36) ✗ 22 120 1 1.0907 1.345 0.000 (0;000) ✗ 04/08/17
Ag2HgSI2 ICSD 413300 Cmc2_1 (36) ✗ 12 108 3 1.0911 1.122 0.000 (0;000) ✗ 16/03/17
SrS ICSD 52111 Pm-3m (221) ✔ 2 16 1 1.0911 1.447 0.000 (0;000) ✗ 27/01/17
LiYSe2 ICSD 44963 R-3m (166) ✔ 4 26 2 1.0914 2.359 0.000 (0;000) ✗ 27/01/17
TlIn5S6 ICSD 56388 P2_1/m (11) ✔ 24 228 3 1.0914 1.183 0.000 (0;000) ✗ 04/08/17
K(SbSe2)2 ICSD 402886 P-1 (2) ✔ 14 86 3 1.0916 1.375 0.000 (0;000) ✗ 02/02/17
Cd2GaAgS4 COD 2205826 Pmn2_1 (31) ✗ 16 144 3 1.0918 1.092 0.000 (0;000) ✗ 16/03/17
NaAuC2 ICSD 411254 P4/mmm (123) ✔ 4 28 1 1.092 1.389 0.000 (0;000) ✗ 27/01/17
Br2O ICSD 50198 Pna2_1 (33) ✗ 12 80 2 1.0922 1.294 0.000 (0;000) ✗ 21/03/17
MgTe2 ICSD 41733 Pa3 (205) ✔ 12 88 3 1.0933 1.093 0.000 (0;000) ✗ 02/02/17
HPb2IO2 ICSD 192170 C2/m (12) ✔ 12 96 3 1.0933 1.093 0.000 (0;000) ✗ 02/02/17
Cs2TeI6 ICSD 38105 Fm-3m (225) ✔ 9 66 2 1.0948 1.391 0.000 (0;000) ✗ 02/02/17
KCuPdSe5 COD 4313762 P2_1/m (11) ✔ 16 136 1 1.0951 1.137 0.000 (0;000) ✗ 02/02/17
PI2 ICSD 36293 P-1 (2) ✔ 6 38 1 1.0952 1.146 0.000 (0;000) ✗ 02/02/17
Rb(SbSe2)2 ICSD 402887 P-1 (2) ✔ 14 86 3 1.0963 1.399 0.000 (0;000) ✗ 02/02/17
HgI COD 9016417 I4/mmm (139) ✔ 4 38 3 1.0965 1.460 0.000 (0;000) ✗ 29/03/17
NaBeH3 COD 4343940 Pm-3m (221) ✔ 5 16 1 1.0974 4.012 0.000 (0;000) ✗ 05/01/17
ReNCl4 ICSD 10126 P1 (1) ✗ 6 48 1 1.098 1.204 0.000 (0;000) ✗ 06/10/16
KMgSb COD 9008327 P4/nmm (129) ✔ 6 48 1 1.0987 1.115 0.000 (0;000) ✗ 27/01/17
KAg2PS4 ICSD 420033 I-42m (121) ✗ 8 60 3 1.0995 1.796 0.000 (0;000) ✗ 16/03/17
PbI2 COD 1011333 P-3m1 (164) ✔ 3 28 2 1.1015 2.099 0.000 (0;000) ✗ 30/01/17
Hg2P3Cl ICSD 74771 C2/c (15) ✔ 12 92 3 1.102 1.651 0.000 (0;000) ✗ 02/02/17
Ca2GeO4 ICSD 182051 P-3m1 (164) ✔ 14 96 1 1.1021 1.102 0.000 (0;000) ✗ 27/01/17
GeS ICSD 1256 Pmcn (62) ✔ 8 40 2 1.1038 1.104 0.000 (0;000) ✗ 06/10/16
B2AsP ICSD 181293 P-4m2 (115) ✗ 4 16 3 1.104 1.257 0.000 (0;000) ✗ 06/10/16
K2Sn(AsS3)2 COD 4318214 P-3 (147) ✔ 11 78 1 1.1045 1.369 0.000 (0;000) ✗ 30/01/17
CdP2 COD 1528584 P4_32_12 (96) ✗ 24 176 3 1.1046 1.251 0.000 (0;000) ✗ 04/08/17
AgI ICSD 161579 F-43m (216) ✗ 2 18 3 1.1056 1.107 0.000 (0;000) ✗ 06/10/16
Sr4As2O ICSD 33904 I4/mmm (139) ✔ 7 56 1 1.1057 1.131 0.000 (0;000) ✗ 05/01/17
Cs2SnBr6 ICSD 158957 Fm-3m (225) ✔ 9 74 2 1.1057 1.106 0.000 (0;000) ✗ 02/02/17
ZnI2 COD 9009137 R-3m (166) ✔ 3 26 2 1.1064 1.334 0.000 (0;000) ✗ 30/01/17
K2Sn2Se5 ICSD 72379 C2/c (15) ✔ 18 152 3 1.1071 1.260 0.000 (0;000) ✗ 02/02/17
RbAu3Se2 COD 1510509 P-3m1 (164) ✔ 6 54 2 1.108 1.572 0.000 (0;000) ✗ 05/01/17
Mg(BC)2 ICSD 421839 Pnnm (58) ✔ 10 48 3 1.1081 1.531 0.000 (0;000) ✗ 27/01/17
WSBr4 COD 1527306 P2_1/c (14) ✔ 24 248 1 1.1089 1.179 0.000 (0;000) ✗ 04/08/17
CdPSe3 ICSD 620234 R-3 (148) ✔ 10 70 2 1.1098 1.259 0.000 (0;000) ✗ 02/02/17
ReS2 ICSD 75459 P-1 (2) ✔ 12 108 2 1.1111 1.111 0.000 (0;000) ✗ 02/02/17
YBi2IO4 ICSD 92432 P4/mmm (123) ✔ 8 72 2 1.112 1.388 0.000 (0;000) ✗ 21/03/17
NaSi COD 8102990 C2/c (15) ✔ 16 104 1 1.1134 1.225 0.000 (0;000) ✗ 02/02/17
LaI3 ICSD 31596 Cmcm (63) ✔ 8 48 2 1.1147 1.359 0.000 (0;000) ✗ 06/10/16
NaCuO ICSD 188521 I-4m2 (119) ✗ 12 104 3 1.1158 1.205 0.000 (0;000) ✗ 07/10/16
CsAuSe3 COD 1510105 C2/c (15) ✔ 10 76 2 1.1162 1.357 0.000 (0;000) ✗ 02/02/17
Ca4As2O ICSD 68203 I4/mmm (139) ✔ 7 56 1 1.1166 1.325 0.000 (0;000) ✗ 05/01/17
Na2PtS2 ICSD 87219 Cmc2_1 (36) ✗ 10 80 1 1.1175 1.485 0.000 (0;000) ✗ 06/10/16
Rb2Sn2Se5 ICSD 80766 C2/c (15) ✔ 18 152 3 1.1176 1.242 0.000 (0;000) ✗ 02/02/17
BPS4 ICSD 24618 I222 (23) ✗ 6 32 1 1.1178 1.383 0.000 (0;000) ✗ 06/10/16
Ba2YAg5S6 ICSD 659302 C2/m (12) ✔ 14 122 3 1.1178 1.328 0.000 (0;000) ✗ 30/01/17
K2CuP ICSD 61082 Cmcm (63) ✔ 8 68 1 1.118 1.194 0.000 (0;000) ✗ 22/03/17
ZnSiAs2 ICSD 191070 I-42d (122) ✗ 8 52 3 1.1183 1.118 0.000 (0;000) ✗ 07/10/16
K3ClO ICSD 78891 Pnma (62) ✔ 20 160 1 1.1192 1.119 0.000 (0;000) ✗ 02/02/17
BaSbSe2F COD 1101163 P-1 (2) ✔ 20 136 1 1.1197 1.373 0.000 (0;000) ✗ 02/02/17
K2CuAs ICSD 43936 Cmcm (63) ✔ 8 68 1 1.1211 1.224 0.000 (0;000) ✗ 30/01/17
Ba4LiCu(CO5)2 COD 2002734 I-42m (121) ✗ 18 122 2 1.1212 1.566 0.000 (0;000) ✗ 21/03/17
Na2Zn2O3 ICSD 25617 P2_1/c (14) ✔ 14 120 3 1.1217 1.122 0.000 (0;000) ✗ 27/01/17
VNCl4 ICSD 28128 P-1 (2) ✔ 12 92 1 1.1219 1.234 0.000 (0;000) ✗ 02/02/17
Na6PbO5 ICSD 21036 Cmcm (63) ✔ 24 196 1 1.1219 1.122 0.000 (0;000) ✗ 04/08/17
Ag3PS4 COD 1510028 Pmn2_1 (31) ✗ 16 124 3 1.1228 1.123 0.000 (0;000) ✗ 16/03/17
ZrIN ICSD 36119 Pmmn (59) ✔ 6 32 2 1.1231 1.123 0.000 (0;000) ✗ 30/01/17
K2PdS2 ICSD 641296 Immm (71) ✔ 5 48 1 1.1239 1.634 0.000 (0;000) ✗ 27/01/17
K2AgSb ICSD 1155 C222_1 (20) ✗ 8 68 1 1.1247 1.333 0.000 (0;000) ✗ 06/10/16
YTlSe2 ICSD 652075 R-3m (166) ✔ 4 36 2 1.1254 1.777 0.000 (0;000) ✗ 27/01/17
GePdS3 ICSD 408505 C2/m (12) ✔ 10 80 1 1.1255 1.456 0.000 (0;000) ✗ 02/02/17
K2PdBr4 COD 2106711 P4/mmm (123) ✔ 7 64 1 1.1261 1.126 0.000 (0;000) ✗ 02/02/17
Nb2Te4Cl10O ICSD 49920 P-1 (2) ✔ 17 126 2 1.1278 1.256 0.000 (0;000) ✗ 02/02/17
N2O3 ICSD 80890 P2_12_12_1 (19) ✗ 20 112 1 1.128 1.175 0.000 (0;000) ✗ 29/03/17
Ba(MgP)2 ICSD 30914 P-3m1 (164) ✔ 5 40 1 1.1281 1.727 0.000 (0;000) ✗ 05/01/17
Cs6Si2NiO8 COD 8100892 P-1 (2) ✔ 17 120 3 1.1286 1.149 0.000 (0;000) ✗ 02/02/17
Rb2Cu2SnS4 ICSD 74020 Ibam (72) ✔ 18 156 2 1.1287 1.160 0.000 (0;000) ✗ 02/02/17
AgI ICSD 62789 P6_3mc (186) ✗ 4 36 3 1.1299 1.130 0.000 (0;000) ✗ 06/10/16
BH2CO ICSD 9561 C2/c (15) ✔ 20 60 1 1.1303 1.130 0.000 (0;000) ✗ 02/02/17
ZnSnP2 ICSD 184466 I-42d (122) ✗ 8 72 3 1.1304 1.130 0.000 (0;000) ✗ 07/10/16
KMgAs ICSD 610753 P4/nmm (129) ✔ 6 48 1 1.1304 1.165 0.000 (0;000) ✗ 05/01/17
BaC2 ICSD 186576 R-3m (166) ✔ 3 18 1 1.1314 1.919 0.000 (0;000) ✗ 27/01/17
InAg(PS3)2 COD 1000229 P-31c (163) ✔ 20 140 2 1.1317 1.352 0.000 (0;000) ✗ 30/01/17
SiP ICSD 87149 Cmc2_1 (36) ✗ 24 108 2 1.1331 1.265 0.000 (0;000) ✗ 04/08/17
CN2 ICSD 247680 Cmc2_1 (36) ✗ 6 28 3 1.1333 1.133 0.000 (0;000) ✗ 06/10/16
K3IO ICSD 36512 Pm-3m (221) ✔ 5 40 1 1.1333 1.133 0.000 (0;000) ✗ 30/01/17
K2NaInP2 ICSD 300132 Ibam (72) ✔ 12 100 1 1.1336 1.138 0.000 (0;000) ✗ 02/02/17
Cs2SiAs2 COD 1008523 Ibam (72) ✔ 10 64 1 1.1343 1.444 0.000 (0;000) ✗ 30/01/17
NbTlBr4O ICSD 415203 C2 (5) ✗ 7 60 1 1.1356 1.469 0.000 (0;000) ✗ 15/02/17
Ta(TeCl3)2 ICSD 401907 P-1 (2) ✔ 18 134 1 1.1359 1.136 0.000 (0;000) ✗ 02/02/17
Ba2YInSe5 ICSD 262888 Cmc2_1 (36) ✗ 18 148 1 1.1362 1.136 0.000 (0;000) ✗ 21/03/17
KBiF6 ICSD 25025 P-4c2 (116) ✗ 16 132 3 1.1363 1.136 0.000 (0;000) ✗ 21/03/17
NbIO2 ICSD 418061 Pnma (62) ✔ 16 128 2 1.1368 1.320 0.000 (0;000) ✗ 02/02/17
NaClO3 COD 1010057 P2_13 (198) ✗ 20 136 1 1.1406 1.153 0.000 (0;000) ✗ 22/03/17
SrAgTeF ICSD 183711 P4/nmm (129) ✔ 8 68 1 1.141 1.141 0.000 (0;000) ✗ 05/01/17
TlAgI2 COD 1509391 I4/mcm (140) ✔ 8 76 1 1.1422 1.142 0.000 (0;000) ✗ 30/01/17
AuClO COD 2105387 R-3 (148) ✔ 18 144 3 1.1439 1.248 0.000 (0;000) ✗ 30/01/17
BaCdPF ICSD 189937 P4/nmm (129) ✔ 8 68 1 1.1441 1.144 0.000 (0;000) ✗ 05/01/17
Cl2O ICSD 407768 I4_1/amd (141) ✔ 12 80 1 1.1441 1.193 0.000 (0;000) ✗ 02/02/17
K2NaAlAs2 ICSD 73280 Ibam (72) ✔ 12 80 1 1.1444 1.304 0.000 (0;000) ✗ 30/01/17
Rb2Pd3S4 ICSD 41886 C2/m (12) ✔ 9 96 1 1.1446 1.318 0.000 (0;000) ✗ 02/02/17
ZnSe ICSD 162755 F-43m (216) ✗ 2 18 3 1.1452 1.145 0.000 (0;000) ✗ 06/10/16
YBi2BrO4 ICSD 92418 P4/mmm (123) ✔ 8 72 2 1.1464 1.579 0.000 (0;000) ✗ 05/01/17
BeSiP2 ICSD 237066 I-42d (122) ✗ 8 36 3 1.1465 1.147 0.000 (0;000) ✗ 07/10/16
PdSO4 ICSD 79559 C2/c (15) ✔ 12 96 3 1.1467 1.229 0.000 (0;000) ✗ 27/01/17
Sr3(AlAs2)2 ICSD 423787 C2/c (15) ✔ 18 112 2 1.1469 1.148 0.000 (0;000) ✗ 30/01/17
Na3SbSe4 ICSD 65141 I-43m (217) ✗ 8 56 1 1.1474 1.148 0.000 (0;000) ✗ 06/10/16
ZnTe ICSD 67779 P6_3mc (186) ✗ 4 36 3 1.1475 1.148 0.000 (0;000) ✗ 06/10/16
Ba3(InP2)2 ICSD 402812 C2/c (15) ✔ 18 152 2 1.1479 1.148 0.000 (0;000) ✗ 02/02/17
P3Ru ICSD 62420 P-1 (2) ✔ 16 124 3 1.1482 1.201 0.000 (0;000) ✗ 02/02/17
Ca2Pt3O8 ICSD 65412 R-3m (166) ✔ 13 98 1 1.149 1.308 0.000 (0;000) ✗ 27/01/17
ZrNCl COD 1521250 R-3m (166) ✔ 6 32 2 1.1497 1.792 0.000 (0;000) ✗ 27/01/17
CdS ICSD 159379 F-43m (216) ✗ 2 18 3 1.1498 1.150 0.000 (0;000) ✗ 06/10/16
Na2CS3 ICSD 73094 C2/c (15) ✔ 12 80 1 1.1499 1.499 0.000 (0;000) ✗ 02/02/17
Ca5P8 ICSD 74854 C2/m (12) ✔ 13 90 1 1.1515 1.169 0.000 (0;000) ✗ 02/02/17
Rb2TeI6 ICSD 36009 P4/mnc (128) ✔ 18 132 1 1.152 1.419 0.000 (0;000) ✗ 02/02/17
CsYZnTe3 COD 4312038 Cmcm (63) ✔ 12 100 1 1.1521 1.152 0.000 (0;000) ✗ 02/02/17
K2TiS3 ICSD 72377 C2/c (15) ✔ 12 96 1 1.1523 1.152 0.000 (0;000) ✗ 02/02/17
SrTe COD 9008730 Fm-3m (225) ✔ 2 16 1 1.153 1.986 0.000 (0;000) ✗ 27/01/17
K7TaAs4 ICSD 380110 Pmn2_1 (31) ✗ 24 192 1 1.1533 1.155 0.000 (0;000) ✗ 04/08/17
AuCl ICSD 6052 I4_1/amd (141) ✔ 8 72 3 1.1538 1.154 0.000 (0;000) ✗ 05/01/17
NaPPdS4 ICSD 97456 I4/mcm (140) ✔ 14 112 1 1.1547 1.399 0.000 (0;000) ✗ 02/02/17
Rb2NaCoF6 ICSD 42148 Fm-3m (225) ✔ 10 86 1 1.1552 1.156 0.000 (0;000) ✗ 27/01/17
BiI3 ICSD 56570 R-3 (148) ✔ 8 72 2 1.1573 1.189 0.000 (0;000) ✗ 06/10/16
Ga2PdI8 ICSD 413230 C2/m (12) ✔ 11 100 1 1.1575 1.304 0.000 (0;000) ✗ 02/02/17
GaAgS2 ICSD 156126 I-42d (122) ✗ 8 72 3 1.1606 1.161 0.000 (0;000) ✗ 07/10/16
Hf(Te2Cl3)2 ICSD 401589 P-1 (2) ✔ 11 78 1 1.1606 1.187 0.000 (0;000) ✗ 02/02/17
Cs2Pt3S4 ICSD 26266 Fmmm (69) ✔ 9 72 1 1.1613 1.421 0.000 (0;000) ✗ 02/02/17
ZnSe ICSD 43595 P6_3mc (186) ✗ 4 36 3 1.1625 1.163 0.000 (0;000) ✗ 06/10/16
P4Os ICSD 647708 P2_1/c (14) ✔ 10 72 3 1.1626 1.319 0.000 (0;000) ✗ 27/01/17
K4BeP2 ICSD 300110 R-3m (166) ✔ 7 50 1 1.1639 1.189 0.000 (0;000) ✗ 02/02/17
HfS3 ICSD 42074 P2_1/m (11) ✔ 8 60 2 1.1644 1.205 0.000 (0;000) ✗ 27/01/17
BiIO COD 9009164 P4/nmm (129) ✔ 6 56 2 1.1644 1.228 0.000 (0;000) ✗ 21/03/17
InSe ICSD 32714 C2/m (12) ✔ 4 38 2 1.1651 1.346 0.000 (0;000) ✗ 27/01/17
LiSbS2 ICSD 40457 R-3 (148) ✔ 24 120 2 1.167 1.543 0.000 (0;000) ✗ 04/08/17
SrS COD 9016565 Pnma (62) ✔ 8 64 1 1.1672 1.167 0.000 (0;000) ✗ 02/02/17
RbAgSe4 COD 1509517 P2_12_12_1 (19) ✗ 24 176 1 1.1675 1.168 0.000 (0;000) ✗ 04/08/17
BC2N ICSD 191800 Cm (8) ✗ 8 32 3 1.1686 1.169 0.000 (0;000) ✗ 06/10/16
HgO COD 9012530 Pnma (62) ✔ 8 72 3 1.1689 1.576 0.000 (0;000) ✗ 27/01/17
PbO COD 9012694 P4/nmm (129) ✔ 4 40 2 1.1691 2.163 0.000 (0;000) ✗ 27/01/17
PbO ICSD 62846 P4/nmm (129) ✔ 4 40 2 1.1693 2.163 0.000 (0;000) ✗ 06/10/16
InI COD 9008983 Cmcm (63) ✔ 4 40 3 1.1696 1.170 0.000 (0;000) ✗ 30/01/17
InI ICSD 38129 Ccmm (63) ✔ 4 40 3 1.1696 1.170 0.000 (0;000) ✗ 06/10/16
RbClO4 COD 1010571 F-43m (216) ✗ 6 40 1 1.1696 1.170 0.000 (0;000) ✗ 15/02/17
Sr2FeH6 ICSD 632211 Fm-3m (225) ✔ 9 34 1 1.1713 1.247 0.000 (0;000) ✗ 27/01/17
VPO5 ICSD 425552 C2/m (12) ✔ 14 96 2 1.1715 1.369 0.000 (0;000) ✗ 27/01/17
Ba4NaCu(CO5)2 ICSD 80606 I-42m (121) ✗ 18 128 1 1.1718 1.606 0.000 (0;000) ✗ 21/03/17
Na3AgO2 COD 1528854 Ibam (72) ✔ 12 100 2 1.173 1.345 0.000 (0;000) ✗ 05/01/17
Bi4O7 ICSD 51778 P-1 (2) ✔ 22 124 3 1.173 1.280 0.000 (0;000) ✗ 06/10/16
Be2C COD 9009053 Fm-3m (225) ✔ 3 12 1 1.1755 4.135 0.000 (0;000) ✗ 27/01/17
HgH3IO6 COD 8100888 P1 (1) ✗ 11 58 3 1.1757 1.205 0.000 (0;000) ✗ 15/02/17
HgHOF ICSD 8267 P2_12_12_1 (19) ✗ 16 104 3 1.1761 1.481 0.000 (0;000) ✗ 22/03/17
CdSnO3 ICSD 180400 R-3 (148) ✔ 10 88 3 1.1762 1.263 0.000 (0;000) ✗ 27/01/17
BaYAgSe3 ICSD 104237 Cmcm (63) ✔ 12 100 2 1.1764 1.489 0.000 (0;000) ✗ 30/01/17
Mn5As4 ICSD 73252 Cmc2_1 (36) ✗ 18 190 3 1.1774 0.002 1.000 (0;000) ✗ 21/03/17
Mg(RhO2)2 ICSD 109299 Fd-3m (227) ✔ 14 136 3 1.18 1.183 0.000 (0;000) ✗ 27/01/17
Na(GeP)3 COD 7017702 Pmc2_1 (26) ✗ 14 72 2 1.1803 1.490 0.000 (0;000) ✗ 22/03/17
K2AgAs ICSD 1154 C222_1 (20) ✗ 8 68 1 1.1805 1.308 0.000 (0;000) ✗ 06/10/16
Tl3VSe4 ICSD 652072 I-43m (217) ✗ 8 76 3 1.1815 1.182 0.000 (0;000) ✗ 06/10/16
TlIO4 ICSD 52342 I4_1/a (88) ✔ 12 88 1 1.1834 1.470 0.000 (0;000) ✗ 02/02/17
Tl3VSe4 ICSD 600248 I-43m (217) ✗ 8 76 3 1.1836 1.184 0.000 (0;000) ✗ 06/10/16
Rb4CO4 ICSD 245434 C2 (5) ✗ 9 64 1 1.1845 1.310 0.000 (0;000) ✗ 06/10/16
Br COD 1512496 Cmce (64) ✔ 4 28 1 1.1847 1.185 0.000 (0;000) ✗ 27/01/17
CsCuSe4 ICSD 75195 P2_12_12_1 (19) ✗ 24 176 1 1.1847 1.207 0.000 (0;000) ✗ 04/08/17
Ag2PdCl4 COD 1509778 Cmce (64) ✔ 14 136 3 1.1848 1.294 0.000 (0;000) ✗ 30/01/17
BaNiO3 COD 2106603 P6_3/mmc (194) ✔ 10 76 1 1.1864 1.283 0.000 (0;000) ✗ 05/01/17
Ag2CN2 ICSD 411091 P2_1/c (14) ✔ 20 144 3 1.1872 1.187 0.000 (0;000) ✗ 02/02/17
K2PtBr4 ICSD 6063 P4/mmm (123) ✔ 7 56 1 1.1873 1.187 0.000 (0;000) ✗ 02/02/17
CsSnSe3 ICSD 402842 P-1 (2) ✔ 10 82 1 1.1875 1.389 0.000 (0;000) ✗ 02/02/17
Li2TeS3 ICSD 415120 P2_1/c (14) ✔ 24 120 1 1.1876 1.204 0.000 (0;000) ✗ 04/08/17
Ba2InBiS5 ICSD 261678 Cmc2_1 (36) ✗ 18 156 1 1.1882 1.538 0.000 (0;000) ✗ 21/03/17
Cr2AgBiO8 ICSD 8224 I-4 (82) ✗ 12 102 3 1.1891 1.204 0.000 (0;000) ✗ 15/02/17
KTiPS5 ICSD 82262 C2/m (12) ✔ 16 112 1 1.1891 1.275 0.000 (0;000) ✗ 02/02/17
CaH2 ICSD 157943 P6_3/mmc (194) ✔ 6 24 1 1.1892 3.109 0.000 (0;000) ✗ 27/01/17
GaSe COD 9008968 P6_3/mmc (194) ✔ 8 76 2 1.1897 1.190 0.000 (0;000) ✗ 27/01/17
VCdCuO4 COD 2002682 Cmcm (63) ✔ 14 120 3 1.1901 1.321 0.000 (0;000) ✗ 27/01/17
CaTe COD 9008608 Fm-3m (225) ✔ 2 16 1 1.1904 2.349 0.000 (0;000) ✗ 27/01/17
Tl4HgI6 COD 1527143 P4/mnc (128) ✔ 22 212 3 1.1924 1.192 0.000 (0;000) ✗ 07/08/17
Tl6SeI4 COD 4106340 P4/mnc (128) ✔ 22 224 3 1.1927 1.193 0.000 (0;000) ✗ 07/08/17
K2AgP COD 8103396 Cmcm (63) ✔ 8 68 1 1.1954 1.279 0.000 (0;000) ✗ 30/01/17
Sr(MgAs)2 ICSD 610831 P-3m1 (164) ✔ 5 40 2 1.1971 1.468 0.000 (0;000) ✗ 05/01/17
LiBeP COD 9008325 P4/nmm (129) ✔ 6 24 1 1.1973 1.585 0.000 (0;000) ✗ 05/01/17
NaBeAs COD 7221253 P6_3/mmc (194) ✔ 6 36 1 1.1981 1.310 0.000 (0;000) ✗ 05/01/17
SnO2 COD 1526637 P4_2/mnm (136) ✔ 6 52 3 1.1983 1.198 0.000 (0;000) ✗ 27/01/17
Ca(MgAs)2 COD 7221199 P-3m1 (164) ✔ 5 40 2 1.1991 1.610 0.000 (0;000) ✗ 05/01/17
ZnAgF3 COD 4119063 Pm-3m (221) ✔ 5 44 3 1.2015 2.184 0.000 (0;000) ✗ 05/01/17
Ag2H2IOF ICSD 32660 P2_1 (4) ✗ 14 88 3 1.2016 1.282 0.000 (0;000) ✗ 16/03/17
Sr4P2O ICSD 33903 I4/mmm (139) ✔ 7 56 1 1.2028 1.238 0.000 (0;000) ✗ 27/01/17
LiCdCoF6 ICSD 32731 P-31c (163) ✔ 18 148 3 1.2028 1.205 0.000 (0;000) ✗ 02/02/17
BaHgS2 COD 4342638 Pmc2_1 (26) ✗ 16 136 2 1.2035 1.237 0.000 (0;000) ✗ 21/03/17
Tl2CuI3 ICSD 65962 Pnnm (58) ✔ 24 232 3 1.2036 1.204 0.000 (0;000) ✗ 04/08/17
ScAlCO ICSD 426425 P6_3mc (186) ✗ 8 48 3 1.205 2.325 0.000 (0;000) ✗ 15/02/17
Cd(GaS2)2 ICSD 619872 I-4 (82) ✗ 7 62 3 1.2052 1.205 0.000 (0;000) ✗ 06/10/16
SnS2 ICSD 43003 P6_3mc (186) ✗ 6 52 2 1.2053 1.498 0.000 (0;000) ✗ 06/10/16
K2Pd3S4 ICSD 41885 Fddd (70) ✔ 18 192 1 1.2068 1.313 0.000 (0;000) ✗ 29/03/17
Tl2B2Se7 COD 1510832 C2/c (15) ✔ 22 148 3 1.2078 1.298 0.000 (0;000) ✗ 04/08/17
LiP5 ICSD 88710 Pna2_1 (33) ✗ 24 112 1 1.2082 1.218 0.000 (0;000) ✗ 04/08/17
PbS ICSD 183240 Cmcm (63) ✔ 4 40 2 1.2082 1.208 0.000 (0;000) ✗ 27/01/17
SbSeI COD 1008204 Pnma (62) ✔ 12 72 1 1.2091 1.322 0.000 (0;000) ✗ 02/02/17
PdCl2 ICSD 404624 R-3 (148) ✔ 18 192 2 1.2092 1.289 0.000 (0;000) ✗ 02/02/17
TlBi(PS3)2 COD 4307993 P2_1 (4) ✗ 20 148 3 1.2092 1.323 0.000 (0;000) ✗ 21/03/17
HgO ICSD 24062 P3_121 (152) ✗ 6 54 3 1.2097 1.356 0.000 (0;000) ✗ 06/10/16
Se COD 9013138 R-3 (148) ✔ 6 36 1 1.2105 1.351 0.000 (0;000) ✗ 27/01/17
K2SiP2 ICSD 36367 Ibam (72) ✔ 10 64 1 1.2106 1.784 0.000 (0;000) ✗ 02/02/17
AsS2 ICSD 424590 P2_1 (4) ✗ 24 136 2 1.2111 1.211 0.000 (0;000) ✗ 04/08/17
CdS ICSD 60629 P6_3mc (186) ✗ 4 36 3 1.2121 1.212 0.000 (0;000) ✗ 06/10/16
LiGeBO4 ICSD 28106 Fmm2 (42) ✗ 7 34 3 1.2123 1.489 0.000 (0;000) ✗ 15/02/17
KP COD 1528278 P2_12_12_1 (19) ✗ 16 112 1 1.2133 1.213 0.000 (0;000) ✗ 29/03/17
TiO2 COD 9015355 P2_1/c (14) ✔ 12 96 3 1.2133 1.213 0.000 (0;000) ✗ 27/01/17
CdHg2SeO6 ICSD 413288 P-1 (2) ✔ 20 156 3 1.2137 1.289 0.000 (0;000) ✗ 02/02/17
BaAgSeF ICSD 183714 P4/nmm (129) ✔ 8 68 1 1.2151 1.215 0.000 (0;000) ✗ 05/01/17
NbAgO3 ICSD 55647 Cmcm (63) ✔ 20 168 3 1.2154 1.215 0.000 (0;000) ✗ 30/01/17
Ta4S9Br8 COD 4310078 I4mm (107) ✗ 21 162 2 1.2169 1.285 0.000 (0;000) ✗ 07/08/17
NaSe2 ICSD 402584 I-42d (122) ✗ 24 168 1 1.2186 1.261 0.000 (0;000) ✗ 04/08/17
BP ICSD 181291 F-43m (216) ✗ 2 8 3 1.2188 3.369 0.000 (0;000) ✗ 06/10/16
Cd2P3Cl ICSD 100818 Cc (9) ✗ 12 92 3 1.2195 1.493 0.000 (0;000) ✗ 06/10/16
Ba2CdTe3 COD 2236699 Pnma (62) ✔ 24 200 1 1.2195 1.220 0.000 (0;000) ✗ 04/08/17
CrCdO4 COD 1008084 Cmcm (63) ✔ 12 100 3 1.2233 1.223 0.000 (0;000) ✗ 27/01/17
ZrBrN ICSD 27393 Pmmn (59) ✔ 6 32 2 1.224 1.224 0.000 (0;000) ✗ 27/01/17
NbCuO3 COD 1530352 C2/m (12) ✔ 20 168 3 1.2247 1.263 0.000 (0;000) ✗ 02/02/17
AgSbS2 COD 9002733 C2/c (15) ✔ 16 112 3 1.2255 1.398 0.000 (0;000) ✗ 30/01/17
Tl3SbS3 ICSD 48133 R3m (160) ✗ 7 62 3 1.2263 1.230 0.000 (0;000) ✗ 06/10/16
NaS ICSD 73173 P6_3/mmc (194) ✔ 8 60 1 1.2269 1.227 0.000 (0;000) ✗ 27/01/17
HfPbS3 ICSD 65668 Pnma (62) ✔ 20 176 3 1.2292 1.329 0.000 (0;000) ✗ 02/02/17
LiRhO2 COD 1008161 R-3m (166) ✔ 4 32 2 1.2294 1.393 0.000 (0;000) ✗ 27/01/17
Cu2WS4 COD 7117863 I-42m (121) ✗ 7 74 2 1.2294 1.826 0.000 (0;000) ✗ 11/04/17
Na6P4W ICSD 71647 P6_3mc (186) ✗ 22 204 1 1.2298 1.264 0.000 (0;000) ✗ 07/08/17
RhBr3 ICSD 28245 C2/m (12) ✔ 8 76 2 1.23 1.361 0.000 (0;000) ✗ 02/02/17
Sr3Co(CN)3 ICSD 423302 P6_3/m (176) ✔ 20 148 1 1.2302 1.634 0.000 (0;000) ✗ 02/02/17
InAg3(PO4)2 ICSD 245001 C2/m (12) ✔ 14 104 3 1.2304 1.490 0.000 (0;000) ✗ 05/01/17
Cd2AsCl2 COD 1001161 P2_1/c (14) ✔ 20 172 3 1.2332 1.371 0.000 (0;000) ✗ 21/03/17
C3Br2O COD 7206336 P2_1/c (14) ✔ 24 128 1 1.2333 1.269 0.000 (0;000) ✗ 04/08/17
LiAgC2 ICSD 410868 P-6m2 (187) ✗ 4 22 1 1.2334 2.032 0.000 (0;000) ✗ 06/10/16
K3Cu3As2 ICSD 32015 R-3m (166) ✔ 8 70 2 1.2339 1.286 0.000 (0;000) ✗ 05/01/17
K2Ag2GeSe4 ICSD 420014 Fddd (70) ✔ 18 136 3 1.2339 1.270 0.000 (0;000) ✗ 30/01/17
In5S5Cl ICSD 414221 P2_1/m (11) ✔ 22 204 3 1.2351 1.301 0.000 (0;000) ✗ 07/08/17
KBiO2 COD 1528047 C2/c (15) ✔ 8 72 1 1.2352 1.245 0.000 (0;000) ✗ 05/01/17
K2VCuS4 ICSD 81414 Fddd (70) ✔ 16 132 1 1.2357 1.460 0.000 (0;000) ✗ 02/02/17
RbAg3S2 COD 1510034 C2/m (12) ✔ 12 108 1 1.236 1.446 0.000 (0;000) ✗ 30/01/17
K7NbAs4 ICSD 380109 Pmn2_1 (31) ✗ 24 192 1 1.2368 1.237 0.000 (0;000) ✗ 04/08/17
Na2TeSe3 ICSD 63011 C2/c (15) ✔ 24 168 1 1.2376 1.291 0.000 (0;000) ✗ 04/08/17
MgSiAs2 ICSD 182367 I-42d (122) ✗ 8 48 3 1.2401 1.240 0.000 (0;000) ✗ 07/10/16
BaHfS3 ICSD 615918 Pnma (62) ✔ 20 160 3 1.2402 1.240 0.000 (0;000) ✗ 02/02/17
S3(NO)2 COD 7221393 C2/c (15) ✔ 14 80 1 1.241 1.348 0.000 (0;000) ✗ 02/02/17
TlBr COD 9008825 Pm-3m (221) ✔ 2 20 1 1.2438 1.649 0.000 (0;000) ✗ 27/01/17
CaZn3Se4 ICSD 167831 P-43m (215) ✗ 8 70 3 1.2442 1.244 0.000 (0;000) ✗ 06/10/16
SbI3Cl8 ICSD 26402 P-1 (2) ✔ 12 82 3 1.2444 1.285 0.000 (0;000) ✗ 02/02/17
ZnS2 ICSD 651447 Pa3 (205) ✔ 12 96 3 1.2446 1.288 0.000 (0;000) ✗ 02/02/17
BaTe COD 9008602 Fm-3m (225) ✔ 2 16 1 1.2448 1.616 0.000 (0;000) ✗ 05/01/17
Sr2In2O5 COD 2002271 Ima2 (46) ✗ 18 152 3 1.2457 1.246 0.000 (0;000) ✗ 29/03/17
Re4Cl8O9 COD 1524180 P-1 (2) ✔ 21 170 1 1.2481 1.264 0.000 (0;000) ✗ 07/08/17
LiAuF4 COD 1510140 C2/c (15) ✔ 12 84 3 1.2487 1.249 0.000 (0;000) ✗ 05/01/17
KBi(PSe3)2 ICSD 90153 P2_1 (4) ✗ 20 140 3 1.2488 1.327 0.000 (0;000) ✗ 21/03/17
Rb2SnBr6 ICSD 158956 Fm-3m (225) ✔ 9 74 2 1.2508 1.251 0.000 (0;000) ✗ 02/02/17
Cd(GaSe2)2 ICSD 163949 I-4 (82) ✗ 7 62 3 1.251 1.251 0.000 (0;000) ✗ 06/10/16
Cs7Au5O2 COD 1510553 Immm (71) ✔ 14 130 3 1.2515 1.352 0.000 (0;000) ✗ 21/03/17
ZrBrN ICSD 51771 R-3m (166) ✔ 6 32 2 1.2522 1.887 0.000 (0;000) ✗ 27/01/17
C3N4 ICSD 246660 R3m (160) ✗ 7 32 2 1.2528 1.275 0.000 (0;000) ✗ 06/10/16
Cs2Pt3Se4 ICSD 33893 Fmmm (69) ✔ 9 72 1 1.2542 1.348 0.000 (0;000) ✗ 02/02/17
Ca3C3Cl2 ICSD 33818 Cmcm (63) ✔ 16 112 1 1.2545 1.336 0.000 (0;000) ✗ 02/02/17
Tl2SiF6 ICSD 52292 Fm-3m (225) ✔ 9 72 2 1.2547 1.589 0.000 (0;000) ✗ 27/01/17
CsTiCu3Se4 ICSD 391259 P2_1/m (11) ✔ 18 156 2 1.2556 1.438 0.000 (0;000) ✗ 02/02/17
Ta3N5 COD 1005006 Cmcm (63) ✔ 16 128 3 1.2557 1.519 0.000 (0;000) ✗ 02/02/17
Ca3(AlP2)2 ICSD 423780 C2/c (15) ✔ 18 112 2 1.257 1.257 0.000 (0;000) ✗ 30/01/17
Li2PbO3 ICSD 35182 C2/c (15) ✔ 12 76 3 1.2573 1.362 0.000 (0;000) ✗ 27/01/17
CaC2 ICSD 54185 C2/m (12) ✔ 6 36 1 1.2582 1.961 0.000 (0;000) ✗ 27/01/17
SrAgSF ICSD 183709 P4/nmm (129) ✔ 8 68 1 1.2589 1.259 0.000 (0;000) ✗ 05/01/17
K2PtS2 ICSD 26258 Immm (71) ✔ 5 40 1 1.2612 1.793 0.000 (0;000) ✗ 27/01/17
NaAgO ICSD 188524 I-4m2 (119) ✗ 12 104 3 1.2628 1.270 0.000 (0;000) ✗ 07/10/16
Rb2VCuS4 ICSD 84302 Fddd (70) ✔ 16 132 1 1.2635 1.533 0.000 (0;000) ✗ 02/02/17
YAgSe2 ICSD 605836 P2_12_12_1 (19) ✗ 16 136 3 1.2636 1.264 0.000 (0;000) ✗ 16/03/17
BaPdCl4 ICSD 411837 Pbcn (60) ✔ 24 224 1 1.264 1.264 0.000 (0;000) ✗ 04/08/17
Cs2Zr(AgTe2)2 ICSD 80195 C222 (21) ✗ 9 68 2 1.2649 1.606 0.000 (0;000) ✗ 16/03/17
K3Cu3P2 COD 7221376 R-3m (166) ✔ 8 70 2 1.2649 1.324 0.000 (0;000) ✗ 27/01/17
LiMgAs ICSD 107954 F-43m (216) ✗ 3 18 3 1.2653 1.565 0.000 (0;000) ✗ 15/02/17
ZnSiP2 ICSD 657290 I-42d (122) ✗ 8 52 3 1.2666 1.267 0.000 (0;000) ✗ 15/02/17
Cs3Sb2I9 COD 1520793 P-3m1 (164) ✔ 14 100 2 1.2671 1.279 0.000 (0;000) ✗ 02/02/17
SiS2 COD 9016349 P4_12_12 (92) ✗ 12 64 3 1.268 1.837 0.000 (0;000) ✗ 29/03/17
YBi2ClO4 ICSD 92405 P4/mmm (123) ✔ 8 72 2 1.2683 1.494 0.000 (0;000) ✗ 05/01/17
KCuO ICSD 40158 I4/mmm (139) ✔ 12 104 2 1.2693 1.361 0.000 (0;000) ✗ 02/02/17
LiCa2HC3 ICSD 261184 P4/mbm (127) ✔ 14 72 1 1.2698 1.552 0.000 (0;000) ✗ 27/01/17
As2Se3 COD 9011471 P2_1/c (14) ✔ 20 112 2 1.2699 1.470 0.000 (0;000) ✗ 30/01/17
BiI3 ICSD 78791 R-3 (148) ✔ 8 72 2 1.2702 1.298 0.000 (0;000) ✗ 02/02/17
CsTlI4 ICSD 59110 P2_1/c (14) ✔ 24 200 1 1.2714 1.337 0.000 (0;000) ✗ 04/08/17
KTlO COD 1528008 C2/m (12) ✔ 6 56 1 1.2719 1.734 0.000 (0;000) ✗ 27/01/17
Bi2O3 ICSD 169685 P31c (159) ✗ 20 112 3 1.2724 1.273 0.000 (0;000) ✗ 06/10/16
BiSCl COD 8103601 Pnma (62) ✔ 12 112 1 1.2731 1.362 0.000 (0;000) ✗ 02/02/17
PdSeO4 ICSD 416646 C2/c (15) ✔ 12 96 3 1.2734 1.404 0.000 (0;000) ✗ 27/01/17
AgHgAsS3 COD 9000870 Cc (9) ✗ 12 92 3 1.2735 1.278 0.000 (0;000) ✗ 16/03/17
BiSeCl ICSD 40862 Pnma (62) ✔ 12 112 1 1.2742 1.277 0.000 (0;000) ✗ 02/02/17
Cs(SbS2)2 ICSD 67976 P-1 (2) ✔ 14 86 3 1.2748 1.768 0.000 (0;000) ✗ 02/02/17
Pd(PbBr3)2 ICSD 78874 P2_1/c (14) ✔ 18 176 3 1.2748 1.375 0.000 (0;000) ✗ 02/02/17
Ca2H3Br ICSD 420928 P-3m1 (164) ✔ 6 30 1 1.2757 1.483 0.000 (0;000) ✗ 27/01/17
LiV3O8 COD 2310690 P2_1/m (11) ✔ 24 180 3 1.2762 1.447 0.000 (0;000) ✗ 04/08/17
AsI5F6 ICSD 59115 C2/c (15) ✔ 24 164 1 1.2767 1.296 0.000 (0;000) ✗ 04/08/17
Ca4P2O ICSD 402952 I4/mmm (139) ✔ 7 56 1 1.2767 1.470 0.000 (0;000) ✗ 27/01/17
Cs2Pt ICSD 413241 P6_3/mmc (194) ✔ 6 56 2 1.2769 1.369 0.000 (0;000) ✗ 02/02/17
IBr ICSD 22120 Cmc2_1 (36) ✗ 4 28 1 1.2772 1.287 0.000 (0;000) ✗ 06/10/16
YZnPO ICSD 418523 R-3m (166) ✔ 8 68 3 1.278 1.369 0.000 (0;000) ✗ 29/03/17
SiO2 ICSD 155249 P3_221 (154) ✗ 9 48 3 1.2786 2.921 0.000 (0;000) ✗ 15/02/17
Rb2S3 COD 1527164 Cmc2_1 (36) ✗ 10 72 1 1.2787 1.345 0.000 (0;000) ✗ 29/03/17
K3MnO4 ICSD 108935 I-42m (121) ✗ 8 66 3 1.2787 0.017 1.000 (0;000) ✗ 07/10/16
Ca2CdP2 ICSD 422580 Ccm2_1 (36) ✗ 10 84 1 1.2799 1.290 0.000 (0;000) ✗ 06/10/16
HgSO4 ICSD 31870 Pnm2_1 (31) ✗ 12 84 3 1.2801 1.709 0.000 (0;000) ✗ 06/10/16
Te3Cl2 COD 1522083 P2_1/c (14) ✔ 20 128 3 1.2807 1.345 0.000 (0;000) ✗ 02/02/17
Cs2ZrSe3 COD 8101657 Cmcm (63) ✔ 12 80 1 1.2811 1.281 0.000 (0;000) ✗ 02/02/17
CdGeO3 COD 9005881 Pnma (62) ✔ 20 136 3 1.2811 1.281 0.000 (0;000) ✗ 02/02/17
Tl6SI4 COD 4001792 P4/mnc (128) ✔ 22 224 3 1.2812 1.281 0.000 (0;000) ✗ 07/08/17
Pb5(SI3)2 ICSD 25304 C2/m (12) ✔ 13 124 3 1.2818 1.326 0.000 (0;000) ✗ 02/02/17
PbS ICSD 648451 Pnma (62) ✔ 8 80 3 1.2827 1.314 0.000 (0;000) ✗ 27/01/17
In2O3 COD 4343793 R-3c (167) ✔ 10 88 3 1.2828 1.318 0.000 (0;000) ✗ 02/02/17
NaCuO COD 1527531 I4/m (87) ✔ 12 104 3 1.2829 1.388 0.000 (0;000) ✗ 27/01/17
ICl ICSD 23886 P2_1/c (14) ✔ 16 112 1 1.283 1.441 0.000 (0;000) ✗ 02/02/17
NaCuO ICSD 15099 I4/m (87) ✔ 12 104 3 1.2831 1.388 0.000 (0;000) ✗ 06/10/16
InPb2I5 ICSD 151997 I4/mcm (140) ✔ 16 152 2 1.2846 1.323 0.000 (0;000) ✗ 02/02/17
RbSr2Nb3O10 ICSD 93674 P4/mmm (123) ✔ 16 128 2 1.2847 1.849 0.000 (0;000) ✗ 02/02/17
CsAgSe4 COD 1509283 P2_12_12_1 (19) ✗ 24 176 1 1.2858 1.302 0.000 (0;000) ✗ 04/08/17
YSF ICSD 250885 P4/nmm (129) ✔ 6 48 3 1.2867 1.287 0.000 (0;000) ✗ 27/01/17
SrNiF6 ICSD 30114 R-3m (166) ✔ 8 62 1 1.2873 1.297 0.000 (0;000) ✗ 27/01/17
P4Ru ICSD 2492 P-1 (2) ✔ 15 108 2 1.2877 1.485 0.000 (0;000) ✗ 02/02/17
SnO ICSD 424729 Ccm2_1 (36) ✗ 8 80 2 1.2884 1.479 0.000 (0;000) ✗ 06/10/16
KRb2CoF6 ICSD 42147 Fm-3m (225) ✔ 10 86 3 1.2897 1.290 0.000 (0;000) ✗ 27/01/17
MoCl4O COD 4031499 P-1 (2) ✔ 12 96 2 1.29 1.363 0.000 (0;000) ✗ 02/02/17
BaAg2(HgO2)2 COD 2002859 P4/nbm (125) ✔ 18 160 3 1.2907 1.563 0.000 (0;000) ✗ 30/01/17
MgSiP2 ICSD 22189 I-42d (122) ✗ 8 48 3 1.2908 1.291 0.000 (0;000) ✗ 07/10/16
Al2S3 ICSD 609250 R-3c (167) ✔ 10 48 3 1.2918 1.384 0.000 (0;000) ✗ 30/01/17
CsAlTe3 ICSD 300180 P2_1/c (14) ✔ 20 120 1 1.2933 1.511 0.000 (0;000) ✗ 16/03/17
ReNCl4 COD 7221223 P1 (1) ✗ 6 48 1 1.2934 1.382 0.000 (0;000) ✗ 22/03/17
Rb4CO4 ICSD 245436 Cm (8) ✗ 9 64 3 1.2935 1.339 0.000 (0;000) ✗ 06/10/16
ZnCd3S4 ICSD 168374 P-43m (215) ✗ 8 72 3 1.2943 1.294 0.000 (0;000) ✗ 06/10/16
Tl2TeI6 ICSD 99128 P2_1/c (14) ✔ 18 148 3 1.2944 1.353 0.000 (0;000) ✗ 02/02/17
SiCu2S3 ICSD 88235 Cc (9) ✗ 12 88 3 1.2953 1.295 0.000 (0;000) ✗ 06/10/16
Pd(SeBr3)2 ICSD 405774 P-1 (2) ✔ 9 72 1 1.2955 1.324 0.000 (0;000) ✗ 02/02/17
Cd3(ClO)2 ICSD 300028 P2_1/c (14) ✔ 14 124 3 1.2957 1.430 0.000 (0;000) ✗ 02/02/17
AgHgSI ICSD 411772 Pmma (51) ✔ 16 144 3 1.2963 1.357 0.000 (0;000) ✗ 16/03/17
HgI2 COD 9008155 I4_1/amd (141) ✔ 24 208 3 1.2969 1.297 0.000 (0;000) ✗ 04/08/17
Li3N ICSD 156897 P6_3/mmc (194) ✔ 8 28 1 1.298 2.236 0.000 (0;000) ✗ 27/01/17
AsSeI COD 1530126 P2_1/c (14) ✔ 12 72 2 1.2995 1.425 0.000 (0;000) ✗ 30/01/17
GePb3O5 ICSD 200517 P2 (3) ✗ 9 76 3 1.3013 1.417 0.000 (0;000) ✗ 06/10/16
KLiS ICSD 27465 P6_3/mmc (194) ✔ 6 36 1 1.3014 1.301 0.000 (0;000) ✗ 02/02/17
PtF4 ICSD 71579 F2dd (43) ✗ 10 76 3 1.3016 1.324 0.000 (0;000) ✗ 06/10/16
SrS2 ICSD 642 I4/mcm (140) ✔ 6 44 1 1.3022 2.079 0.000 (0;000) ✗ 27/01/17
Ag2SO4 COD 1509700 Fddd (70) ✔ 14 104 3 1.3024 1.399 0.000 (0;000) ✗ 05/01/17
AlCuSe2 ICSD 165740 I-42d (122) ✗ 8 52 3 1.3029 1.303 0.000 (0;000) ✗ 07/10/16
SnO2 ICSD 157449 Pmnn (58) ✔ 6 52 3 1.3036 1.304 0.000 (0;000) ✗ 06/10/16
Rb2PtS2 ICSD 26259 Immm (71) ✔ 5 40 1 1.3041 1.824 0.000 (0;000) ✗ 27/01/17
CuI COD 9013923 P4/nmm (129) ✔ 4 36 2 1.3057 1.306 0.000 (0;000) ✗ 22/03/17
K2VAgS4 ICSD 66840 Fddd (70) ✔ 16 132 1 1.3061 1.419 0.000 (0;000) ✗ 16/03/17
K2S3 COD 1527162 Cmc2_1 (36) ✗ 10 72 1 1.3067 1.366 0.000 (0;000) ✗ 29/03/17
AgMoH4S4N ICSD 236249 I-4 (82) ✗ 11 58 1 1.307 1.586 0.000 (0;000) ✗ 15/02/17
ZnSi(CuS2)2 ICSD 628866 Pmn2_1 (31) ✗ 16 124 3 1.3074 1.308 0.000 (0;000) ✗ 22/03/17
K2PAuS4 ICSD 85679 P2_1/m (11) ✔ 16 116 2 1.308 1.308 0.000 (0;000) ✗ 02/02/17
AlAs ICSD 185081 F-43m (216) ✗ 2 8 3 1.3082 2.054 0.000 (0;000) ✗ 06/10/16
NaAgO COD 1509474 I4/mmm (139) ✔ 12 104 3 1.3096 1.333 0.000 (0;000) ✗ 30/01/17
NaSrP ICSD 416887 P-62m (189) ✗ 9 72 1 1.3102 1.310 0.000 (0;000) ✗ 06/10/16
NaBiO2 COD 8103708 C2/c (15) ✔ 8 72 3 1.311 1.317 0.000 (0;000) ✗ 05/01/17
FeN3ClO3 ICSD 281495 P6_3mc (186) ✗ 16 96 1 1.311 1.369 0.000 (0;000) ✗ 22/03/17
AgSe3I COD 4027807 Pmna (53) ✔ 20 144 3 1.3117 1.355 0.000 (0;000) ✗ 30/01/17
KTcCl3 ICSD 63512 Cc (9) ✗ 20 180 1 1.3118 0.162 1.000 (0;000) ✗ 22/03/17
AuCl3 COD 2310075 P2_1/c (14) ✔ 16 128 1 1.314 1.408 0.000 (0;000) ✗ 30/01/17
Nb(SBr)2 ICSD 424414 C2/m (12) ✔ 10 78 2 1.3148 1.325 0.000 (0;000) ✗ 02/02/17
SrLiP ICSD 416889 P6_3/mmc (194) ✔ 6 36 1 1.3152 1.464 0.000 (0;000) ✗ 27/01/17
SnPSe3 ICSD 655564 P2_1/c (14) ✔ 20 148 3 1.3154 1.357 0.000 (0;000) ✗ 02/02/17
SiCu2S3 ICSD 70057 Cmc2_1 (36) ✗ 12 88 3 1.3178 1.369 0.000 (0;000) ✗ 06/10/16
Cd(GaO2)2 ICSD 619869 Fd-3m (227) ✔ 14 124 3 1.3189 1.363 0.000 (0;000) ✗ 27/01/17
ZnGeP2 ICSD 16734 I-42d (122) ✗ 8 52 3 1.319 1.491 0.000 (0;000) ✗ 07/10/16
KCuO ICSD 25695 I4/m (87) ✔ 12 104 2 1.3193 1.480 0.000 (0;000) ✗ 06/10/16
Cs2KCoF6 ICSD 6037 Fm-3m (225) ✔ 10 86 1 1.3195 1.320 0.000 (0;000) ✗ 27/01/17
NaTaN2 ICSD 67347 R-3m (166) ✔ 4 32 2 1.3216 1.867 0.000 (0;000) ✗ 27/01/17
SnWO4 COD 9007595 Pnna (52) ✔ 24 264 3 1.3217 1.354 0.000 (0;000) ✗ 04/08/17
InBr ICSD 23126 Ccmm (63) ✔ 4 40 3 1.3218 1.469 0.000 (0;000) ✗ 06/10/16
InBr COD 9008982 Cmcm (63) ✔ 4 40 3 1.3219 1.469 0.000 (0;000) ✗ 27/01/17
Cs2SiP2 COD 1008522 Ibam (72) ✔ 10 64 1 1.3238 1.545 0.000 (0;000) ✗ 02/02/17
C2N3 COD 4029897 Cmce (64) ✔ 20 92 1 1.3238 1.324 0.000 (0;000) ✗ 02/02/17
AgAsS2 COD 9008166 R-3 (148) ✔ 24 168 3 1.3242 1.467 0.000 (0;000) ✗ 04/08/17
Ba(GaAs)2 COD 4316405 P2_1/c (14) ✔ 20 184 1 1.3257 1.368 0.000 (0;000) ✗ 30/01/17
AlCuTe2 ICSD 28735 I-42d (122) ✗ 8 52 3 1.3259 1.326 0.000 (0;000) ✗ 16/03/17
KClO3 COD 1010217 P2_1/m (11) ✔ 10 68 1 1.326 1.347 0.000 (0;000) ✗ 27/01/17
NaP5 ICSD 99177 Pnma (62) ✔ 24 136 1 1.3261 1.339 0.000 (0;000) ✗ 04/08/17
AsBr5F6 ICSD 69057 C2/c (15) ✔ 24 164 3 1.3271 1.352 0.000 (0;000) ✗ 04/08/17
K3BAs2 ICSD 300105 C2/c (15) ✔ 12 80 1 1.3279 1.768 0.000 (0;000) ✗ 30/01/17
Cs2Ti(CuSe2)2 COD 4319683 P4_2/mcm (132) ✔ 18 152 2 1.328 1.629 0.000 (0;000) ✗ 02/02/17
Pb2O3 ICSD 23760 P2_1/c (14) ✔ 20 184 3 1.3282 1.397 0.000 (0;000) ✗ 02/02/17
Ti(PS3)2 COD 1528603 Fdd2 (43) ✗ 18 116 3 1.3284 1.359 0.000 (0;000) ✗ 29/03/17
SbSI ICSD 28305 Pnma (62) ✔ 12 72 1 1.329 1.450 0.000 (0;000) ✗ 02/02/17
Na3BiO4 COD 1525239 P2/c (13) ✔ 16 132 1 1.329 1.347 0.000 (0;000) ✗ 02/02/17
K2SnBr6 ICSD 158955 Fm-3m (225) ✔ 9 74 2 1.3293 1.329 0.000 (0;000) ✗ 02/02/17
BaYCuS3 ICSD 659166 Cmcm (63) ✔ 12 100 2 1.3296 1.455 0.000 (0;000) ✗ 02/02/17
K3Al2As3 COD 1518076 P2_1/m (11) ✔ 16 96 1 1.3297 1.330 0.000 (0;000) ✗ 30/01/17
CrAg3ClO4 COD 8100983 P4/nmm (129) ✔ 18 156 3 1.3301 1.661 0.000 (0;000) ✗ 30/01/17
Sr3(AlP2)2 ICSD 409134 C2/c (15) ✔ 18 112 2 1.3308 1.331 0.000 (0;000) ✗ 30/01/17
TlI3 ICSD 61349 Pnma (62) ✔ 16 136 1 1.333 1.387 0.000 (0;000) ✗ 02/02/17
Ba(CuO)2 COD 2002215 I4_1/amd (141) ✔ 10 88 3 1.3364 1.336 0.000 (0;000) ✗ 05/01/17
CuI ICSD 84217 P3m1 (156) ✗ 4 36 2 1.3365 1.337 0.000 (0;000) ✗ 06/10/16
TlPbI3 COD 7221381 Cmcm (63) ✔ 10 96 3 1.3367 1.337 0.000 (0;000) ✗ 02/02/17
SbSI ICSD 28264 P2_1nb (33) ✗ 12 72 1 1.3387 1.481 0.000 (0;000) ✗ 06/10/16
SnSO4 ICSD 245906 P-1 (2) ✔ 24 176 3 1.3394 1.555 0.000 (0;000) ✗ 04/08/17
CsCaH3 ICSD 619212 Pnma (62) ✔ 20 88 1 1.3396 1.504 0.000 (0;000) ✗ 02/02/17
Cd(In2I3)2 ICSD 60755 P4/mnc (128) ✔ 22 212 3 1.343 1.348 0.000 (0;000) ✗ 07/08/17
SiAg2S3 ICSD 180764 P2_1/c (14) ✔ 24 176 3 1.3432 1.508 0.000 (0;000) ✗ 04/08/17
Pb(SN)2 ICSD 49539 P2_12_12_1 (19) ✗ 20 144 1 1.3435 1.403 0.000 (0;000) ✗ 29/03/17
ZnSiP2 ICSD 191069 I-42d (122) ✗ 8 52 3 1.3437 1.344 0.000 (0;000) ✗ 07/10/16
RbCaAs ICSD 409177 P4/nmm (129) ✔ 6 48 1 1.3437 1.450 0.000 (0;000) ✗ 30/01/17
Tl2CuAsO4 ICSD 407563 P2_1 (4) ✗ 16 132 3 1.3444 1.466 0.000 (0;000) ✗ 21/03/17
TlClO4 COD 1010570 F-43m (216) ✗ 6 44 1 1.3448 1.345 0.000 (0;000) ✗ 15/02/17
Cs2S ICSD 27463 P6_3/mmc (194) ✔ 6 48 1 1.3455 1.346 0.000 (0;000) ✗ 02/02/17
Sr2ZnMoO6 ICSD 28602 Fm-3m (225) ✔ 10 82 3 1.3459 1.555 0.000 (0;000) ✗ 27/01/17
HgF COD 9008977 I4/mmm (139) ✔ 4 38 3 1.3468 2.235 0.000 (0;000) ✗ 27/01/17
LiZnP ICSD 642242 F-43m (216) ✗ 3 20 3 1.347 1.406 0.000 (0;000) ✗ 15/02/17
Ba(AlTe2)2 ICSD 41165 P4/nbm (125) ✔ 14 80 1 1.3483 1.348 0.000 (0;000) ✗ 30/01/17
LiInTe2 ICSD 658016 I-42d (122) ✗ 8 56 3 1.349 1.349 0.000 (0;000) ✗ 29/03/17
K6HgSe4 ICSD 639060 P6_3mc (186) ✗ 22 180 1 1.3498 1.352 0.000 (0;000) ✗ 07/08/17
AgPb2Br5 COD 8103387 C2/c (15) ✔ 16 148 3 1.3513 1.385 0.000 (0;000) ✗ 30/01/17
NbCu3Se4 ICSD 628485 P-43m (215) ✗ 8 70 3 1.3518 1.791 0.000 (0;000) ✗ 06/10/16
SbSI ICSD 41589 P2_1nb (33) ✗ 12 72 1 1.3524 1.490 0.000 (0;000) ✗ 06/10/16
Rb2VAgS4 ICSD 66841 Fddd (70) ✔ 16 132 1 1.3525 1.493 0.000 (0;000) ✗ 16/03/17
Cd(GaSe2)2 ICSD 93761 I-4 (82) ✗ 7 62 3 1.3533 1.353 0.000 (0;000) ✗ 06/10/16
NbCu3Se4 ICSD 628478 P-43m (215) ✗ 8 70 3 1.3533 1.794 0.000 (0;000) ✗ 06/10/16
NbCu3Se4 ICSD 628479 P-43m (215) ✗ 8 70 3 1.355 1.798 0.000 (0;000) ✗ 06/10/16
SbSI ICSD 28306 P2_1nb (33) ✗ 12 72 1 1.3559 1.468 0.000 (0;000) ✗ 06/10/16
NbCu3Se4 ICSD 73956 P-43m (215) ✗ 8 70 3 1.3569 1.802 0.000 (0;000) ✗ 06/10/16
MoS2Cl3 ICSD 28062 P2_1/c (14) ✔ 24 188 1 1.3573 1.390 0.000 (0;000) ✗ 04/08/17
LiAuC2 ICSD 411253 P-6m2 (187) ✗ 4 22 1 1.3575 1.469 0.000 (0;000) ✗ 06/10/16
Tl6SBr4 ICSD 40521 P4/mnc (128) ✔ 22 224 3 1.3579 1.358 0.000 (0;000) ✗ 07/08/17
Cd(GaSe2)2 ICSD 184996 I-4 (82) ✗ 7 62 3 1.3585 1.359 0.000 (0;000) ✗ 06/10/16
H4C4SO COD 2010884 P-1 (2) ✔ 20 64 1 1.3594 1.421 0.000 (0;000) ✗ 02/02/17
F2 ICSD 16262 C2/c (15) ✔ 4 28 1 1.3602 1.360 0.000 (0;000) ✗ 27/01/17
SiC ICSD 164973 F-43m (216) ✗ 2 8 3 1.3623 4.548 0.000 (0;000) ✗ 06/10/16
Ga2TeO6 ICSD 78346 P4_2/mnm (136) ✔ 18 136 3 1.3627 1.363 0.000 (0;000) ✗ 27/01/17
Ba(BeN)2 ICSD 415304 I4/mcm (140) ✔ 10 56 1 1.3639 1.449 0.000 (0;000) ✗ 05/01/17
ZnCd3S4 ICSD 169187 P-43m (215) ✗ 8 72 3 1.364 1.364 0.000 (0;000) ✗ 06/10/16
AgTeO3 ICSD 415472 P2_1/m (11) ✔ 20 140 3 1.3644 1.456 0.000 (0;000) ✗ 30/01/17
GaAgS2 ICSD 92052 Cc (9) ✗ 8 72 3 1.3645 1.365 0.000 (0;000) ✗ 06/10/16
Rb3BAs2 ICSD 402082 C2/c (15) ✔ 12 80 1 1.3651 1.757 0.000 (0;000) ✗ 30/01/17
Hg2ClO COD 2310659 C2/c (15) ✔ 16 148 3 1.3653 1.404 0.000 (0;000) ✗ 02/02/17
AgPS3 COD 2105351 C2/m (12) ✔ 10 68 3 1.3659 1.686 0.000 (0;000) ✗ 30/01/17
RbCuO COD 1527532 I4/m (87) ✔ 12 104 2 1.3663 1.415 0.000 (0;000) ✗ 02/02/17
RbCuO ICSD 15100 I4/m (87) ✔ 12 104 2 1.3663 1.415 0.000 (0;000) ✗ 06/10/16
Tl3BO3 COD 1511279 P6_3/m (176) ✔ 14 120 3 1.3717 1.560 0.000 (0;000) ✗ 02/02/17
AuI COD 9008986 P4_2/ncm (138) ✔ 8 72 2 1.3722 1.708 0.000 (0;000) ✗ 02/02/17
SnI2 ICSD 2831 C2/m (12) ✔ 9 84 3 1.373 1.650 0.000 (0;000) ✗ 02/02/17
Cs2O COD 9009127 R-3m (166) ✔ 3 24 2 1.3737 2.086 0.000 (0;000) ✗ 27/01/17
Na3AlP2 ICSD 73278 Ibam (72) ✔ 12 80 1 1.3748 1.578 0.000 (0;000) ✗ 30/01/17
BaAgTeF ICSD 419382 P4/nmm (129) ✔ 8 68 1 1.3753 1.375 0.000 (0;000) ✗ 05/01/17
AlTlO2 ICSD 29010 R-3m (166) ✔ 8 56 3 1.3755 1.384 0.000 (0;000) ✗ 05/01/17
KPt2S3 ICSD 40062 R-3m (166) ✔ 12 94 2 1.3757 1.377 0.000 (0;000) ✗ 02/02/17
Na2PdF4 ICSD 71101 P2_1/c (14) ✔ 14 128 1 1.3759 1.415 0.000 (0;000) ✗ 27/01/17
Cs2Se ICSD 41687 Fdd2 (43) ✗ 6 48 1 1.3763 1.379 0.000 (0;000) ✗ 22/03/17
NaHg2IO2 COD 9012531 P6_222 (180) ✗ 18 156 3 1.378 1.658 0.000 (0;000) ✗ 29/03/17
GeI2 ICSD 23176 P-3m1 (164) ✔ 9 54 2 1.3784 1.659 0.000 (0;000) ✗ 02/02/17
InTeI COD 1525202 P2_1/c (14) ✔ 12 104 2 1.3786 1.379 0.000 (0;000) ✗ 02/02/17
Cd(AgI2)2 ICSD 190587 I-42m (121) ✗ 7 62 3 1.379 1.379 0.000 (0;000) ✗ 07/10/16
V2O5 ICSD 156052 C2/c (15) ✔ 14 112 3 1.3792 1.492 0.000 (0;000) ✗ 27/01/17
K(SnSe2)2 ICSD 72386 Cm (8) ✗ 14 122 3 1.3797 1.505 0.000 (0;000) ✗ 29/03/17
Ca3N2 ICSD 162794 C2/m (12) ✔ 15 120 1 1.3801 1.440 0.000 (0;000) ✗ 02/02/17
Sc2S3 ICSD 650835 Pna2_1 (33) ✗ 20 160 3 1.381 1.543 0.000 (0;000) ✗ 29/03/17
GaP ICSD 190425 P6_3mc (186) ✗ 4 36 3 1.3812 1.457 0.000 (0;000) ✗ 06/10/16
TlSbS2 COD 9007704 P-1 (2) ✔ 16 120 3 1.3814 1.381 0.000 (0;000) ✗ 02/02/17
KAg3S2 COD 7109277 Fd-3m (227) ✔ 24 216 3 1.3823 1.510 0.000 (0;000) ✗ 04/08/17
TlN3 ICSD 34271 I4/mcm (140) ✔ 8 56 1 1.3825 1.933 0.000 (0;000) ✗ 27/01/17
BaNb2O6 ICSD 28253 Pmma (51) ✔ 18 144 3 1.3837 1.410 0.000 (0;000) ✗ 02/02/17
SrCuTeF ICSD 183708 P4/nmm (129) ✔ 8 68 1 1.3841 1.384 0.000 (0;000) ✗ 27/01/17
HgIBr ICSD 109010 Ccm2_1 (36) ✗ 6 52 2 1.3842 1.389 0.000 (0;000) ✗ 06/10/16
Li2PdO2 COD 1528454 Immm (71) ✔ 5 36 1 1.3852 1.861 0.000 (0;000) ✗ 27/01/17
Tl6SCl4 ICSD 35289 P4/mnc (128) ✔ 22 224 3 1.3864 1.386 0.000 (0;000) ✗ 07/08/17
SnGeS3 COD 9005509 P2_1/c (14) ✔ 20 144 3 1.3882 1.610 0.000 (0;000) ✗ 02/02/17
IrBr3 COD 1527188 C2/m (12) ✔ 8 76 2 1.389 1.433 0.000 (0;000) ✗ 02/02/17
BaS3 ICSD 23637 P-42_1m (113) ✗ 8 56 1 1.3893 1.418 0.000 (0;000) ✗ 06/10/16
P4Os ICSD 647710 P-1 (2) ✔ 15 108 2 1.3925 1.534 0.000 (0;000) ✗ 02/02/17
Ba3BAsO3 ICSD 402682 P6_3/mmc (194) ✔ 16 112 1 1.3926 1.694 0.000 (0;000) ✗ 30/01/17
Cd(GaSe2)2 ICSD 25644 I-4 (82) ✗ 7 62 3 1.3929 1.393 0.000 (0;000) ✗ 06/10/16
NaAlTe2 ICSD 44701 I4/mcm (140) ✔ 8 48 1 1.3954 1.477 0.000 (0;000) ✗ 30/01/17
Ba2P7Cl ICSD 426193 P2_1/m (11) ✔ 20 124 1 1.3959 1.770 0.000 (0;000) ✗ 02/02/17
K2NaGaP2 ICSD 300112 Ibam (72) ✔ 12 100 1 1.3963 1.396 0.000 (0;000) ✗ 02/02/17
LiCaCoF6 ICSD 32730 P-31c (163) ✔ 18 144 1 1.3971 1.400 0.000 (0;000) ✗ 02/02/17
RbAuO2 COD 1510261 Cmcm (63) ✔ 8 64 2 1.3974 1.777 0.000 (0;000) ✗ 05/01/17
CdO2 ICSD 36151 Pa3 (205) ✔ 12 96 3 1.3975 1.441 0.000 (0;000) ✗ 27/01/17
CdSiP2 ICSD 22188 I-42d (122) ✗ 8 52 3 1.3977 1.398 0.000 (0;000) ✗ 07/10/16
KCu4AsS4 ICSD 75430 P2_1 (4) ✗ 20 164 3 1.3981 1.462 0.000 (0;000) ✗ 21/03/17
CaZnSe2 ICSD 167832 P-4m2 (115) ✗ 4 34 2 1.3984 1.570 0.000 (0;000) ✗ 07/10/16
Cs2VAgS4 ICSD 50460 Fddd (70) ✔ 16 132 1 1.3991 1.578 0.000 (0;000) ✗ 16/03/17
CuHgSCl ICSD 98872 Pmma (51) ✔ 16 144 2 1.3992 1.571 0.000 (0;000) ✗ 02/02/17
Tl3VS4 ICSD 16572 I-43m (217) ✗ 8 76 3 1.4009 1.401 0.000 (0;000) ✗ 06/10/16
Tl3VS4 ICSD 655086 I-43m (217) ✗ 8 76 3 1.4009 1.401 0.000 (0;000) ✗ 06/10/16
Tl3VS4 ICSD 651257 I-43m (217) ✗ 8 76 3 1.4019 1.402 0.000 (0;000) ✗ 06/10/16
Tl3VS4 ICSD 651265 I-43m (217) ✗ 8 76 3 1.4022 1.402 0.000 (0;000) ✗ 06/10/16
PbIF COD 9007903 P4/nmm (129) ✔ 6 56 2 1.4024 1.402 0.000 (0;000) ✗ 22/03/17
SiO2 ICSD 155248 P3_221 (154) ✗ 9 48 3 1.4025 1.595 0.000 (0;000) ✗ 15/02/17
BaCuSeF ICSD 75585 P4/nmm (129) ✔ 8 68 1 1.4025 1.403 0.000 (0;000) ✗ 05/01/17
Tl3VS4 ICSD 600245 I-43m (217) ✗ 8 76 3 1.4025 1.403 0.000 (0;000) ✗ 06/10/16
SrPdF4 ICSD 108990 I4/mcm (140) ✔ 12 112 1 1.4029 1.403 0.000 (0;000) ✗ 27/01/17
CsPdCl3 ICSD 89568 Ibam (72) ✔ 20 192 1 1.4033 1.403 0.000 (0;000) ✗ 22/03/17
CsBr2F ICSD 84019 P4/mmm (123) ✔ 4 30 1 1.4039 1.404 0.000 (0;000) ✗ 27/01/17
K2TeI6 ICSD 23649 P2_1/c (14) ✔ 18 132 1 1.4052 1.537 0.000 (0;000) ✗ 02/02/17
SnS2 COD 9009120 P-3m1 (164) ✔ 3 26 2 1.4075 1.942 0.000 (0;000) ✗ 27/01/17
CrHgO4 ICSD 416147 Cmcm (63) ✔ 12 100 3 1.4079 1.427 0.000 (0;000) ✗ 27/01/17
As(IF2)3 COD 4343792 P-1 (2) ✔ 20 136 1 1.4081 1.434 0.000 (0;000) ✗ 30/01/17
SbSI ICSD 28304 P2_1nb (33) ✗ 12 72 1 1.4081 1.570 0.000 (0;000) ✗ 06/10/16
NO2 ICSD 164631 P2_1/m (11) ✔ 12 68 1 1.4082 1.460 0.000 (0;000) ✗ 06/10/16
SnSO4 ICSD 245907 P-1 (2) ✔ 24 176 3 1.4092 1.544 0.000 (0;000) ✗ 04/08/17
Cr2Ag2O7 COD 1007030 P-1 (2) ✔ 22 184 3 1.4107 1.484 0.000 (0;000) ✗ 07/08/17
PbI2 ICSD 23763 P3m1 (156) ✗ 21 196 1 1.4109 1.411 0.000 (0;000) ✗ 07/08/17
BeSiN2 ICSD 44112 I-42d (122) ✗ 8 36 3 1.4111 1.932 0.000 (0;000) ✗ 07/10/16
KTcO4 COD 1501467 I4_1/a (88) ✔ 12 96 1 1.4113 0.145 1.000 (0;000) ✗ 10/04/17
InSbS3 ICSD 300207 Pnma (62) ✔ 20 144 2 1.4119 1.566 0.000 (0;000) ✗ 02/02/17
BaNiF6 ICSD 35396 R-3m (166) ✔ 8 62 1 1.4123 1.426 0.000 (0;000) ✗ 05/01/17
CaHfS3 ICSD 619354 Pnma (62) ✔ 20 160 3 1.4127 1.413 0.000 (0;000) ✗ 02/02/17
Ba3BPO3 ICSD 402017 P6_3/mmc (194) ✔ 16 112 1 1.4131 1.767 0.000 (0;000) ✗ 02/02/17
Cs2Pd3S4 ICSD 26250 C2/m (12) ✔ 9 96 1 1.4138 1.552 0.000 (0;000) ✗ 02/02/17
Nb(SBr)2 ICSD 424413 P-1 (2) ✔ 10 78 2 1.4142 1.475 0.000 (0;000) ✗ 02/02/17
Si3N4 COD 1524456 P6_3 (173) ✗ 14 64 3 1.4143 1.914 0.000 (0;000) ✗ 15/02/17
BiSBr ICSD 31389 Pnma (62) ✔ 12 112 1 1.4144 1.467 0.000 (0;000) ✗ 02/02/17
Li2SnSe3 COD 4001782 Cc (9) ✗ 12 76 1 1.4145 1.415 0.000 (0;000) ✗ 29/03/17
Cd(InS2)2 COD 9012323 Fd-3m (227) ✔ 14 124 3 1.4147 1.507 0.000 (0;000) ✗ 02/02/17
Cs2HgPdCl6 ICSD 36616 I4/mmm (139) ✔ 10 90 2 1.417 1.502 0.000 (0;000) ✗ 02/02/17
IrBr3 ICSD 14212 C2/m (12) ✔ 8 60 2 1.4173 1.460 0.000 (0;000) ✗ 06/10/16
S2N COD 2101578 P4_2nm (102) ✗ 24 136 1 1.4175 1.598 0.000 (0;000) ✗ 04/08/17
Ga2PbSe4 ICSD 635052 Cccm (66) ✔ 14 128 3 1.4183 1.490 0.000 (0;000) ✗ 02/02/17
ZnCdS2 ICSD 168375 P-4m2 (115) ✗ 4 36 3 1.4199 1.420 0.000 (0;000) ✗ 07/10/16
SbSI ICSD 26924 P2_1nb (33) ✗ 12 72 1 1.4207 1.565 0.000 (0;000) ✗ 06/10/16
Tl2Sn2S5 COD 7221342 C2/c (15) ✔ 18 168 3 1.4213 1.473 0.000 (0;000) ✗ 02/02/17
H2 COD 9013088 P6_3/mmc (194) ✔ 4 4 1 1.4218 1.712 0.000 (0;000) ✗ 27/01/17
Bi2O3 ICSD 422451 P6_3mc (186) ✗ 20 112 3 1.424 1.583 0.000 (0;000) ✗ 06/10/16
PbI2 ICSD 24263 P6_3mc (186) ✗ 6 56 2 1.4242 1.424 0.000 (0;000) ✗ 06/10/16
K2PdC2 ICSD 421490 P-3m1 (164) ✔ 5 44 3 1.4251 1.457 0.000 (0;000) ✗ 27/01/17
C3Cl2O COD 7202469 P2_1/c (14) ✔ 24 128 1 1.4252 1.472 0.000 (0;000) ✗ 04/08/17
NbAgO3 ICSD 55649 Pm-3m (221) ✔ 5 42 3 1.4258 1.496 0.000 (0;000) ✗ 05/01/17
TiHgO3 ICSD 19005 R-3c (167) ✔ 10 84 3 1.4258 1.426 0.000 (0;000) ✗ 06/10/16
Al2ZnSe4 ICSD 609325 Fd-3m (227) ✔ 14 84 3 1.4262 1.426 0.000 (0;000) ✗ 30/01/17
CdBiS2Br ICSD 171725 C2/m (12) ✔ 10 92 3 1.4263 1.434 0.000 (0;000) ✗ 02/02/17
WCl6 ICSD 425148 P-3m1 (164) ✔ 21 210 1 1.4267 1.427 0.000 (0;000) ✗ 08/08/17
PtCCl2O COD 2102529 P4_2/m (84) ✔ 20 136 2 1.4271 1.435 0.000 (0;000) ✗ 02/02/17
KS ICSD 73171 P-62m (189) ✗ 12 90 1 1.4274 1.780 0.000 (0;000) ✗ 29/03/17
Ba(GaP)2 COD 4316404 P2_1/c (14) ✔ 20 184 1 1.428 1.428 0.000 (0;000) ✗ 02/02/17
Ti(CuS)4 ICSD 82558 I-42m (121) ✗ 9 80 3 1.4281 1.713 0.000 (0;000) ✗ 07/10/16
TlF ICSD 16112 Pma2 (28) ✗ 8 80 2 1.4283 1.431 0.000 (0;000) ✗ 06/10/16
CsI4 ICSD 44621 P2_1/c (14) ✔ 20 148 1 1.4286 1.453 0.000 (0;000) ✗ 02/02/17
TiHgO3 COD 1528887 R-3c (167) ✔ 10 84 3 1.4307 1.431 0.000 (0;000) ✗ 27/01/17
PbI2 ICSD 23762 P3m1 (156) ✗ 15 140 1 1.4309 1.431 0.000 (0;000) ✗ 29/03/17
AuBr COD 1510609 I4_1/amd (141) ✔ 8 72 3 1.431 1.431 0.000 (0;000) ✗ 30/01/17
CdSb6(S2I)4 ICSD 27733 P-1 (2) ✔ 19 118 1 1.4312 1.431 0.000 (0;000) ✗ 02/02/17
Pd(PbCl3)2 ICSD 78873 P2_1/c (14) ✔ 18 176 3 1.4312 1.530 0.000 (0;000) ✗ 02/02/17
NaRhO2 ICSD 66280 R-3m (166) ✔ 4 38 2 1.4316 1.523 0.000 (0;000) ✗ 27/01/17
CdP2 ICSD 42732 Pna2_1 (33) ✗ 12 88 3 1.4322 1.723 0.000 (0;000) ✗ 22/03/17
Cd4GeS6 COD 2003996 Cc (9) ✗ 22 176 3 1.4332 1.433 0.000 (0;000) ✗ 07/08/17
Nb(SCl)2 COD 1522781 C2/m (12) ✔ 10 78 2 1.4336 1.434 0.000 (0;000) ✗ 02/02/17
GeSe2 ICSD 50761 I-42d (122) ✗ 6 32 3 1.4346 1.788 0.000 (0;000) ✗ 06/10/16
AgHgSBr ICSD 411773 Pmma (51) ✔ 16 144 3 1.4346 1.667 0.000 (0;000) ✗ 16/03/17
PbI2 COD 9009142 R-3m (166) ✔ 3 28 2 1.436 1.436 0.000 (0;000) ✗ 30/01/17
B COD 1512492 R-3m (166) ✔ 12 36 3 1.4362 1.829 0.000 (0;000) ✗ 27/01/17
LiCaN ICSD 107304 Pnma (62) ✔ 12 72 1 1.437 1.437 0.000 (0;000) ✗ 27/01/17
TlRe3(Se2Cl)2 ICSD 162300 P-1 (2) ✔ 20 192 2 1.4376 1.556 0.000 (0;000) ✗ 02/02/17
Cs3Sb2Br9 ICSD 39824 P-3m1 (164) ✔ 14 100 2 1.4378 1.492 0.000 (0;000) ✗ 02/02/17
Li10BrN3 ICSD 78819 P-6m2 (187) ✗ 14 52 1 1.4385 1.798 0.000 (0;000) ✗ 15/02/17
Ba3TiS5 COD 1530517 I4/mcm (140) ✔ 18 144 1 1.4393 1.439 0.000 (0;000) ✗ 02/02/17
InSb2S4Br ICSD 159467 C2/m (12) ✔ 16 108 3 1.4395 1.453 0.000 (0;000) ✗ 02/02/17
Cd(GaSe2)2 ICSD 52802 I-4 (82) ✗ 7 62 3 1.4403 1.440 0.000 (0;000) ✗ 06/10/16
InCl ICSD 2432 Ccm2_1 (36) ✗ 4 40 3 1.4416 1.525 0.000 (0;000) ✗ 06/10/16
NaNiIO6 ICSD 23543 P312 (149) ✗ 9 62 2 1.4416 1.533 0.000 (0;000) ✗ 15/02/17
PbI2 COD 9009141 P3m1 (156) ✗ 9 84 1 1.4418 1.442 0.000 (0;000) ✗ 29/03/17
In6TeO12 ICSD 245526 R-3 (148) ✔ 19 156 3 1.442 1.525 0.000 (0;000) ✗ 02/02/17
Si4P4Ru ICSD 79006 P1 (1) ✗ 9 52 3 1.442 1.660 0.000 (0;000) ✗ 06/10/16
InCl ICSD 2431 Cc2m (40) ✗ 4 40 1 1.4421 1.528 0.000 (0;000) ✗ 06/10/16
Sr4PdO6 ICSD 88135 R-3c (167) ✔ 22 188 2 1.4423 1.449 0.000 (0;000) ✗ 07/08/17
InCl ICSD 2430 Cmcm (63) ✔ 4 40 1 1.443 1.529 0.000 (0;000) ✗ 27/01/17
LiInO2 ICSD 639886 I4_1/amd (141) ✔ 8 56 3 1.4431 1.809 0.000 (0;000) ✗ 27/01/17
Cu2SO4 ICSD 40452 Fddd (70) ✔ 14 104 3 1.4434 1.459 0.000 (0;000) ✗ 27/01/17
PbI2 ICSD 108914 R-3m (166) ✔ 6 56 1 1.4435 1.728 0.000 (0;000) ✗ 02/02/17
PbI2 COD 9009143 R-3m (166) ✔ 6 56 2 1.4443 1.444 0.000 (0;000) ✗ 02/02/17
Ba2HgS3 ICSD 32647 Pnma (62) ✔ 24 200 1 1.4448 1.445 0.000 (0;000) ✗ 04/08/17
Cd(GaSe2)2 ICSD 30908 I-4 (82) ✗ 7 62 3 1.445 1.445 0.000 (0;000) ✗ 06/10/16
SrHfS3 ICSD 638863 Pnma (62) ✔ 20 160 3 1.4451 1.445 0.000 (0;000) ✗ 02/02/17
KSbSe2 COD 7221206 P-1 (2) ✔ 16 104 1 1.4458 1.453 0.000 (0;000) ✗ 02/02/17
S5N5Cl ICSD 62528 C2/c (15) ✔ 22 124 1 1.4462 1.448 0.000 (0;000) ✗ 04/08/17
NaBiO3 COD 1526788 R-3 (148) ✔ 10 84 1 1.4476 1.542 0.000 (0;000) ✗ 05/01/17
K2CdO2 ICSD 25004 Pbcn (60) ✔ 20 168 2 1.4489 1.475 0.000 (0;000) ✗ 02/02/17
AgCNO ICSD 260378 Pmmn (59) ✔ 8 52 3 1.449 1.655 0.000 (0;000) ✗ 27/01/17
Cs2Au2Se3 COD 4027824 C2/c (15) ✔ 14 116 1 1.449 1.456 0.000 (0;000) ✗ 21/03/17
Tl2CO3 COD 2017545 C2/m (12) ✔ 12 96 2 1.4491 2.153 0.000 (0;000) ✗ 27/01/17
BC2N ICSD 191799 P-4m2 (115) ✗ 4 16 3 1.4495 2.182 0.000 (0;000) ✗ 06/10/16
PPbSe3 ICSD 62230 P2_1/c (14) ✔ 20 148 3 1.4514 1.517 0.000 (0;000) ✗ 02/02/17
K2PdO2 ICSD 6158 Immm (71) ✔ 5 48 2 1.4517 1.708 0.000 (0;000) ✗ 27/01/17
Li2GePbS4 ICSD 281011 I-42m (121) ✗ 8 48 2 1.4519 1.524 0.000 (0;000) ✗ 15/02/17
V2O5 COD 1011225 Pmn2_1 (31) ✗ 14 112 2 1.4532 1.614 0.000 (0;000) ✗ 15/02/17
Bi2O3 ICSD 168812 P-42_1c (114) ✗ 20 112 3 1.4533 1.453 0.000 (0;000) ✗ 06/10/16
BiI3 ICSD 187305 R-3 (148) ✔ 8 52 2 1.454 1.544 0.000 (0;000) ✗ 06/10/16
KAgO ICSD 25744 I-4 (82) ✗ 12 104 1 1.4553 1.701 0.000 (0;000) ✗ 06/10/16
In2O3 ICSD 181835 Pnma (62) ✔ 20 176 3 1.4566 1.721 0.000 (0;000) ✗ 27/01/17
Al2CdTe4 ICSD 25640 I-4 (82) ✗ 7 42 3 1.4572 1.457 0.000 (0;000) ✗ 06/10/16
Tl2CS3 ICSD 420223 C2/c (15) ✔ 12 96 1 1.4572 1.600 0.000 (0;000) ✗ 02/02/17
HgO ICSD 639125 P3_221 (154) ✗ 6 54 3 1.4576 1.628 0.000 (0;000) ✗ 06/10/16
AgHgSI ICSD 54796 P2_12_12_1 (19) ✗ 16 144 3 1.4581 1.462 0.000 (0;000) ✗ 16/03/17
GeAsSe COD 1524563 Pnna (52) ✔ 24 120 2 1.459 1.513 0.000 (0;000) ✗ 04/08/17
KIn5S8 ICSD 40875 C2/m (12) ✔ 14 122 3 1.4591 1.552 0.000 (0;000) ✗ 02/02/17
Mg(AlS2)2 ICSD 608441 R3m (160) ✗ 7 40 2 1.4592 1.613 0.000 (0;000) ✗ 06/10/16
IO2 ICSD 63651 P2_1/c (14) ✔ 24 152 2 1.4592 1.854 0.000 (0;000) ✗ 04/08/17
PtO2 ICSD 24923 P6_3mc (186) ✗ 6 44 2 1.4599 1.605 0.000 (0;000) ✗ 06/10/16
SbSI ICSD 28263 P2_1nb (33) ✗ 12 72 1 1.4604 1.638 0.000 (0;000) ✗ 06/10/16
SrSnO3 ICSD 153532 I4/mcm (140) ✔ 10 84 3 1.4616 1.462 0.000 (0;000) ✗ 27/01/17
CsSO4 COD 9008020 P2_1/c (14) ✔ 24 156 1 1.4623 1.462 0.000 (0;000) ✗ 04/08/17
Rb3CuO2 ICSD 65446 P2_1/c (14) ✔ 24 200 3 1.4636 1.467 0.000 (0;000) ✗ 04/08/17
Hg2AsCl2 ICSD 39930 C2/m (12) ✔ 20 172 3 1.4642 1.834 0.000 (0;000) ✗ 21/03/17
TlF3 COD 1528563 Pnma (62) ✔ 16 136 3 1.4643 1.525 0.000 (0;000) ✗ 27/01/17
Na2SnSe3 ICSD 300237 P2_1/c (14) ✔ 24 200 1 1.4644 1.464 0.000 (0;000) ✗ 04/08/17
Na6PbO5 ICSD 15102 I4mm (107) ✗ 12 98 1 1.4651 1.529 0.000 (0;000) ✗ 07/10/16
CsIn5S8 ICSD 40878 C2/m (12) ✔ 14 122 3 1.466 1.558 0.000 (0;000) ✗ 02/02/17
CsYHgSe3 COD 4313795 Cmcm (63) ✔ 12 100 3 1.4666 1.467 0.000 (0;000) ✗ 02/02/17
Te2O5 ICSD 191342 P2_1 (4) ✗ 14 84 3 1.4685 1.470 0.000 (0;000) ✗ 29/03/17
CuI ICSD 30363 P3m1 (156) ✗ 12 108 1 1.4688 1.469 0.000 (0;000) ✗ 22/03/17
BaAgSF ICSD 183713 P4/nmm (129) ✔ 8 68 1 1.4697 1.470 0.000 (0;000) ✗ 05/01/17
YHSe ICSD 72008 P-6m2 (187) ✗ 3 18 3 1.4698 1.846 0.000 (0;000) ✗ 15/02/17
LiGaTe2 ICSD 162555 I-42d (122) ✗ 8 56 3 1.4715 1.509 0.000 (0;000) ✗ 07/10/16
TlI ICSD 26761 Ccmm (63) ✔ 4 40 2 1.4715 1.656 0.000 (0;000) ✗ 06/10/16
LiMnO4 COD 1514003 Cmcm (63) ✔ 12 84 1 1.4727 1.507 0.000 (0;000) ✗ 04/08/17
Na2PtO3 ICSD 25020 Fddd (70) ✔ 24 184 3 1.473 1.523 0.000 (0;000) ✗ 04/08/17
ZnI2 COD 9009122 P-3m1 (164) ✔ 3 26 2 1.4754 1.561 0.000 (0;000) ✗ 30/01/17
InSb2S4Cl ICSD 159468 C2/m (12) ✔ 16 108 3 1.4761 1.484 0.000 (0;000) ✗ 02/02/17
K2PbO3 COD 1527292 P6_3/mcm (193) ✔ 24 200 2 1.4768 1.514 0.000 (0;000) ✗ 04/08/17
LiCuO ICSD 188520 I-4m2 (119) ✗ 12 80 3 1.4772 1.679 0.000 (0;000) ✗ 07/10/16
SrCuSF ICSD 157433 P4/nmm (129) ✔ 8 68 1 1.4773 1.477 0.000 (0;000) ✗ 27/01/17
TlNO2 ICSD 50325 P3_121 (152) ✗ 12 90 1 1.4791 1.528 0.000 (0;000) ✗ 06/10/16
BiO2 ICSD 79500 C2/c (15) ✔ 12 68 3 1.4798 1.526 0.000 (0;000) ✗ 06/10/16
K2Zn3O4 ICSD 62146 C2/c (15) ✔ 18 156 3 1.4801 1.480 0.000 (0;000) ✗ 02/02/17
YTlS2 ICSD 651267 R-3m (166) ✔ 4 36 2 1.4802 2.223 0.000 (0;000) ✗ 27/01/17
VAgO3 ICSD 82079 Cm (8) ✗ 20 168 3 1.4813 1.493 0.000 (0;000) ✗ 16/03/17
NaLi5N2 COD 1526574 P4/mmm (123) ✔ 8 34 1 1.4815 1.482 0.000 (0;000) ✗ 27/01/17
Rb2PbO3 COD 1525242 Pnma (62) ✔ 24 200 1 1.4824 1.484 0.000 (0;000) ✗ 04/08/17
NaAsS2 COD 8103561 P2_1/c (14) ✔ 16 104 1 1.4835 1.565 0.000 (0;000) ✗ 30/01/17
HgCl COD 9016588 I4/mmm (139) ✔ 4 38 3 1.4848 2.394 0.000 (0;000) ✗ 27/01/17
Ga2PdBr8 ICSD 413229 C2/m (12) ✔ 11 100 1 1.4851 1.485 0.000 (0;000) ✗ 02/02/17
Mg2FeH6 ICSD 107500 Fm-3m (225) ✔ 9 34 3 1.4861 1.486 0.000 (0;000) ✗ 27/01/17
ZnP2 COD 2310696 P4_12_12 (92) ✗ 24 176 3 1.4864 1.617 0.000 (0;000) ✗ 04/08/17
Ba2P7Br ICSD 426194 P2_1/m (11) ✔ 20 124 1 1.4878 1.780 0.000 (0;000) ✗ 02/02/17
Ba2YGaSe5 ICSD 262882 P-1 (2) ✔ 18 148 3 1.4878 1.895 0.000 (0;000) ✗ 02/02/17
TlIn(PSe3)2 COD 4000513 P-1 (2) ✔ 20 144 3 1.4879 1.591 0.000 (0;000) ✗ 02/02/17
Al2ZnTe4 ICSD 25639 I-4 (82) ✗ 7 42 3 1.488 1.488 0.000 (0;000) ✗ 06/10/16
Ba(AuO2)2 COD 1510361 I4_1/a (88) ✔ 14 112 3 1.4882 1.531 0.000 (0;000) ✗ 30/01/17
K6CdTe4 ICSD 420087 P6_3mc (186) ✗ 22 180 1 1.491 1.493 0.000 (0;000) ✗ 07/08/17
Ba2GeSe4 ICSD 414166 P2_1/m (11) ✔ 14 96 1 1.4911 1.491 0.000 (0;000) ✗ 02/02/17
Cd(GaSe2)2 ICSD 619895 I-4 (82) ✗ 7 62 3 1.4918 1.492 0.000 (0;000) ✗ 06/10/16
Sr3Ga3N5 COD 4323351 P-1 (2) ✔ 22 188 3 1.4918 1.492 0.000 (0;000) ✗ 04/08/17
ZnPbF6 COD 1527519 R-3 (148) ✔ 8 68 3 1.4924 1.492 0.000 (0;000) ✗ 27/01/17
Rb2O COD 9009067 Fm-3m (225) ✔ 3 24 3 1.4925 2.158 0.000 (0;000) ✗ 27/01/17
TlI COD 9008981 Cmcm (63) ✔ 4 40 2 1.4934 1.671 0.000 (0;000) ✗ 30/01/17
Rb4CO4 ICSD 245438 Cm (8) ✗ 9 64 3 1.4937 1.585 0.000 (0;000) ✗ 06/10/16
Pb2WO5 ICSD 61399 C2/m (12) ✔ 16 172 3 1.4939 1.542 0.000 (0;000) ✗ 11/04/17
KAuCl4 COD 1510092 P2_1/c (14) ✔ 24 192 1 1.4946 1.495 0.000 (0;000) ✗ 04/08/17
CdSbS2Br ICSD 171723 C2/m (12) ✔ 10 72 3 1.4947 1.517 0.000 (0;000) ✗ 02/02/17
Al2CdSe4 ICSD 606347 Fd-3m (227) ✔ 14 84 3 1.4954 1.495 0.000 (0;000) ✗ 30/01/17
Pd(SCl3)2 ICSD 39434 P-1 (2) ✔ 9 72 1 1.4965 1.500 0.000 (0;000) ✗ 02/02/17
MgGeP2 ICSD 182369 I-42d (122) ✗ 8 48 3 1.4973 1.529 0.000 (0;000) ✗ 07/10/16
TeO3 COD 7035629 R-3c (167) ✔ 8 48 3 1.4975 1.547 0.000 (0;000) ✗ 27/01/17
KSbS2 ICSD 641324 C2/c (15) ✔ 8 52 1 1.4975 1.501 0.000 (0;000) ✗ 02/02/17
As2S3 COD 9012091 P2_1/c (14) ✔ 20 112 2 1.5014 1.906 0.000 (0;000) ✗ 30/01/17
Na5CuSO2 ICSD 412977 P4/mmm (123) ✔ 9 74 1 1.5015 1.594 0.000 (0;000) ✗ 27/01/17
RbAgO COD 1509490 I4/mmm (139) ✔ 12 104 3 1.5038 1.504 0.000 (0;000) ✗ 30/01/17
Tl2Hg3S4 COD 4000817 C2/c (15) ✔ 18 172 3 1.5047 1.601 0.000 (0;000) ✗ 02/02/17
CsPbF3 COD 1525673 Pm-3m (221) ✔ 5 44 3 1.5049 1.505 0.000 (0;000) ✗ 27/01/17
K2PtCl4 COD 1010083 P4/mmm (123) ✔ 7 56 1 1.5056 1.537 0.000 (0;000) ✗ 02/02/17
KAlTe2 ICSD 44703 I4/mcm (140) ✔ 8 48 1 1.5093 1.811 0.000 (0;000) ✗ 30/01/17
NaAuO2 COD 8101055 Cmcm (63) ✔ 8 64 0 1.5095 2.066 0.000 (0;000) ✗ 05/01/17
AgNO2 ICSD 24378 Im2m (44) ✗ 4 28 3 1.5099 1.922 0.000 (0;000) ✗ 06/10/16
HgSO4 ICSD 25773 Pn2_1m (31) ✗ 12 84 3 1.51 2.097 0.000 (0;000) ✗ 06/10/16
CsS3 ICSD 24678 P-1 (2) ✔ 16 108 1 1.511 1.621 0.000 (0;000) ✗ 02/02/17
LiGe2N3 ICSD 636887 Ccm2_1 (36) ✗ 12 52 3 1.5113 1.513 0.000 (0;000) ✗ 29/11/16
Mg3BN3 COD 1511235 P6_3/mmc (194) ✔ 14 96 3 1.5131 1.513 0.000 (0;000) ✗ 27/01/17
HgS ICSD 169614 P3_221 (154) ✗ 6 54 3 1.5136 1.570 0.000 (0;000) ✗ 06/10/16
TlGaO2 ICSD 33579 R-3m (166) ✔ 8 76 3 1.5136 1.563 0.000 (0;000) ✗ 27/01/17
GaS ICSD 40824 R-3m (166) ✔ 4 38 2 1.5142 1.514 0.000 (0;000) ✗ 27/01/17
PbI2 ICSD 60327 P6_3mc (186) ✗ 12 112 1 1.5152 1.581 0.000 (0;000) ✗ 29/03/17
SbBr5F6 ICSD 69056 C2/c (15) ✔ 24 164 3 1.5153 1.546 0.000 (0;000) ✗ 04/08/17
RbIn5S8 ICSD 40877 C2/m (12) ✔ 14 122 3 1.5186 1.658 0.000 (0;000) ✗ 02/02/17
AlP ICSD 190409 F-43m (216) ✗ 2 8 3 1.5188 3.480 0.000 (0;000) ✗ 06/10/16
Cs2PSe5 ICSD 418434 P-1 (2) ✔ 16 106 1 1.52 1.622 0.000 (0;000) ✗ 02/02/17
ScAuO2 COD 1510262 P6_3/mmc (194) ✔ 8 68 3 1.5211 1.922 0.000 (0;000) ✗ 05/01/17
TlPO4 COD 2310637 Cmcm (63) ✔ 12 84 3 1.5218 1.905 0.000 (0;000) ✗ 27/01/17
SbCl3F2 ICSD 380014 I-4 (82) ✗ 24 160 1 1.5218 1.557 0.000 (0;000) ✗ 04/08/17
BaPdF4 ICSD 108991 I4/mcm (140) ✔ 12 112 1 1.5233 1.523 0.000 (0;000) ✗ 02/02/17
ScAg(PSe3)2 ICSD 420302 P-31c (163) ✔ 20 136 2 1.5236 1.578 0.000 (0;000) ✗ 30/01/17
CdBiS2Cl ICSD 171724 Pnma (62) ✔ 20 184 3 1.5239 1.525 0.000 (0;000) ✗ 02/02/17
LiScS2 ICSD 642305 R-3m (166) ✔ 4 26 2 1.5243 2.409 0.000 (0;000) ✗ 27/01/17
Cs2Hg3H2I8O ICSD 191929 Cm (8) ✗ 16 118 2 1.5244 1.526 0.000 (0;000) ✗ 22/03/17
K2SnHgSe4 ICSD 413308 I-42m (121) ✗ 8 68 1 1.5248 1.525 0.000 (0;000) ✗ 29/03/17
Na2TeC2 COD 7220793 I4/mmm (139) ✔ 5 32 1 1.5257 1.827 0.000 (0;000) ✗ 27/01/17
Cs3AuO COD 1510109 P6_3/mmc (194) ✔ 10 88 1 1.5275 1.528 0.000 (0;000) ✗ 30/01/17
ZnSnO3 ICSD 50404 R-3 (148) ✔ 10 88 3 1.5281 1.579 0.000 (0;000) ✗ 27/01/17
CaPtO3 COD 4343862 Cmcm (63) ✔ 10 76 2 1.5286 1.604 0.000 (0;000) ✗ 27/01/17
BiO2 COD 9009765 C2/c (15) ✔ 12 108 3 1.529 1.615 0.000 (0;000) ✗ 05/01/17
LiCuO ICSD 40156 I4/mmm (139) ✔ 12 80 3 1.5296 1.711 0.000 (0;000) ✗ 27/01/17
Na2ZnO2 ICSD 404761 P2_1/c (14) ✔ 20 168 2 1.5299 1.530 0.000 (0;000) ✗ 02/02/17
BaNaH3Pd COD 6000621 P6_3/mmc (194) ✔ 12 80 1 1.5304 1.872 0.000 (0;000) ✗ 05/01/17
SiC ICSD 24631 R3m (160) ✗ 18 72 3 1.531 2.768 0.000 (0;000) ✗ 11/04/17
Cd4SiS6 COD 1527686 Cc (9) ✗ 22 176 3 1.5312 1.531 0.000 (0;000) ✗ 07/08/17
K2PdCl4 COD 1010315 P4/mmm (123) ✔ 7 64 1 1.5312 1.531 0.000 (0;000) ✗ 02/02/17
CdHg2SO6 ICSD 413287 P-1 (2) ✔ 20 156 3 1.5314 1.669 0.000 (0;000) ✗ 02/02/17
Rb2Hg2PdBr8 ICSD 203188 C2/m (12) ✔ 13 116 1 1.533 1.584 0.000 (0;000) ✗ 02/02/17
Na2PtO3 ICSD 25019 C2/c (15) ✔ 24 184 2 1.534 1.615 0.000 (0;000) ✗ 04/08/17
Al2Se3 ICSD 14373 Cc (9) ✗ 10 48 3 1.5341 1.554 0.000 (0;000) ✗ 06/10/16
LiRhO2 ICSD 59179 Fd-3m (227) ✔ 16 128 3 1.5341 1.536 0.000 (0;000) ✗ 27/01/17
AgNO2 ICSD 26750 Imm2 (44) ✗ 4 28 3 1.5341 1.989 0.000 (0;000) ✗ 06/10/16
C3S8 COD 2001128 P-1 (2) ✔ 22 120 1 1.5344 1.628 0.000 (0;000) ✗ 04/08/17
Na2PtO2 ICSD 25018 Immm (71) ✔ 5 40 1 1.5347 1.903 0.000 (0;000) ✗ 27/01/17
Rb2CdO2 ICSD 62054 Pbcn (60) ✔ 20 168 3 1.5349 1.556 0.000 (0;000) ✗ 02/02/17
BaMn2O8 ICSD 23443 Fddd (70) ✔ 22 176 1 1.535 1.603 0.000 (0;000) ✗ 08/08/17
NbCu3S4 ICSD 108392 P-43m (215) ✗ 8 70 3 1.5353 1.905 0.000 (0;000) ✗ 06/10/16
KAsSe2 ICSD 68638 Cc (9) ✗ 16 104 2 1.5358 1.658 0.000 (0;000) ✗ 21/03/17
Mg(ScS2)2 ICSD 37423 Fd-3m (227) ✔ 14 112 3 1.5359 1.536 0.000 (0;000) ✗ 02/02/17
Li5BiO5 ICSD 203031 Cm (8) ✗ 11 50 2 1.5359 1.767 0.000 (0;000) ✗ 06/10/16
Na4PbO4 ICSD 74859 P-1 (2) ✔ 18 148 1 1.5361 1.536 0.000 (0;000) ✗ 02/02/17
Li2SnS3 COD 4002128 C2/c (15) ✔ 24 152 2 1.5363 1.546 0.000 (0;000) ✗ 04/08/17
Zr(PS3)2 ICSD 35298 P4_2/m (84) ✔ 18 100 1 1.5363 1.846 0.000 (0;000) ✗ 29/03/17
Ba3In2Br2O5 COD 2002540 I4/mmm (139) ✔ 12 100 2 1.5364 2.122 0.000 (0;000) ✗ 21/03/17
Tl3Cd2I7 ICSD 63340 Pbam (55) ✔ 24 224 3 1.5368 1.678 0.000 (0;000) ✗ 04/08/17
K2Hg3(GeS4)2 ICSD 281506 C2 (5) ✗ 15 110 3 1.5376 2.063 0.000 (0;000) ✗ 22/03/17
Nb2Tl5S4Cl9 ICSD 417942 Immm (71) ✔ 20 178 1 1.5376 1.546 0.000 (0;000) ✗ 02/02/17
Rb2PbCl6 COD 1010241 Fm-3m (225) ✔ 9 74 2 1.5379 1.538 0.000 (0;000) ✗ 02/02/17
RbAuBr4 COD 8103439 P2_1/c (14) ✔ 12 96 1 1.5384 1.564 0.000 (0;000) ✗ 30/01/17
Ca3AsBr3 ICSD 426 Pm-3m (221) ✔ 7 56 1 1.5395 1.540 0.000 (0;000) ✗ 30/01/17
SbIrS ICSD 41400 P2_13 (198) ✗ 12 80 3 1.5396 1.688 0.000 (0;000) ✗ 06/10/16
BaMg(CO2)2 ICSD 193061 C2/m (12) ✔ 8 52 1 1.5397 1.540 0.000 (0;000) ✗ 02/02/17
RbCu2Br3 ICSD 150306 Cmcm (63) ✔ 12 104 1 1.5398 1.540 0.000 (0;000) ✗ 02/02/17
CdSbS2Cl ICSD 171722 Pnma (62) ✔ 20 144 3 1.54 1.566 0.000 (0;000) ✗ 02/02/17
RbCaSb ICSD 409178 P4/nmm (129) ✔ 6 48 1 1.5422 1.607 0.000 (0;000) ✗ 02/02/17
AsCl5 ICSD 412103 Pmmn (59) ✔ 12 80 1 1.5429 1.543 0.000 (0;000) ✗ 30/01/17
ICl3 ICSD 24714 P-1 (2) ✔ 8 56 1 1.5447 1.545 0.000 (0;000) ✗ 06/10/16
Cs2Ti(AgS2)2 COD 4319682 P4_2/mcm (132) ✔ 18 152 2 1.5463 1.851 0.000 (0;000) ✗ 16/03/17
TaCu3Se4 ICSD 629103 P-43m (215) ✗ 8 70 3 1.5465 1.960 0.000 (0;000) ✗ 06/10/16
TaCu3Se4 ICSD 629100 P-43m (215) ✗ 8 70 3 1.5469 1.960 0.000 (0;000) ✗ 06/10/16
TaCu3Se4 ICSD 156981 P-43m (215) ✗ 8 70 3 1.5486 1.963 0.000 (0;000) ✗ 06/10/16
Pd(NO3)2 ICSD 425998 P2_1/c (14) ✔ 18 128 2 1.5489 1.549 0.000 (0;000) ✗ 02/02/17
Rb2PdC2 COD 1526412 P-3m1 (164) ✔ 5 44 3 1.5508 1.551 0.000 (0;000) ✗ 27/01/17
PI2 COD 2004493 P-1 (2) ✔ 6 38 1 1.551 1.551 0.000 (0;000) ✗ 02/02/17
BaS2 ICSD 2004 C2/c (15) ✔ 6 44 1 1.5522 1.591 0.000 (0;000) ✗ 06/10/16
Cd(GaSe2)2 ICSD 619900 I-4 (82) ✗ 7 62 3 1.5523 1.552 0.000 (0;000) ✗ 06/10/16
BN ICSD 162877 Cm (8) ✗ 8 32 3 1.5525 1.567 0.000 (0;000) ✗ 06/10/16
Rb2LiVS4 ICSD 414185 Fddd (70) ✔ 16 116 1 1.553 1.553 0.000 (0;000) ✗ 29/03/17
Zn(AgI2)2 ICSD 190588 Pmn2_1 (31) ✗ 14 124 3 1.5531 1.553 0.000 (0;000) ✗ 16/03/17
K2PbO3 ICSD 62138 Pnma (62) ✔ 24 200 1 1.5548 1.558 0.000 (0;000) ✗ 04/08/17
Li6TeO6 ICSD 26297 R-3 (148) ✔ 13 60 3 1.5553 1.578 0.000 (0;000) ✗ 27/01/17
KAgO COD 1509421 I4/mmm (139) ✔ 12 104 1 1.5553 1.666 0.000 (0;000) ✗ 30/01/17
Ca4TiN4 COD 1528590 P-1 (2) ✔ 18 144 1 1.5561 1.680 0.000 (0;000) ✗ 02/02/17
ZnSnO3 ICSD 245943 R3c (161) ✗ 10 88 3 1.5568 1.557 0.000 (0;000) ✗ 06/10/16
SiS2 COD 9015451 P3_221 (154) ✗ 9 48 3 1.5581 1.581 0.000 (0;000) ✗ 15/02/17
NbNO COD 1525453 P2_1/c (14) ✔ 12 96 3 1.5582 1.705 0.000 (0;000) ✗ 27/01/17
CsCu3O2 ICSD 413342 P-3m1 (164) ✔ 6 54 2 1.5592 1.641 0.000 (0;000) ✗ 27/01/17
PI2 ICSD 203216 P-1 (2) ✔ 6 38 1 1.5597 1.560 0.000 (0;000) ✗ 06/10/16
TaCu3Se4 ICSD 108406 P-43m (215) ✗ 8 70 3 1.561 1.992 0.000 (0;000) ✗ 06/10/16
GaN5O14 COD 4321396 I-4 (82) ✗ 20 122 2 1.5613 1.575 0.000 (0;000) ✗ 22/03/17
Na2SnTeO6 ICSD 89017 P2_1/c (14) ✔ 20 148 3 1.5615 1.562 0.000 (0;000) ✗ 02/02/17
ScP ICSD 188693 F-43m (216) ✗ 2 16 3 1.5616 1.562 0.000 (0;000) ✗ 06/10/16
CsAu3Se2 COD 1510490 P-3m1 (164) ✔ 6 54 2 1.5634 1.592 0.000 (0;000) ✗ 05/01/17
Cs2PdC2 COD 1526416 P-3m1 (164) ✔ 5 44 3 1.5635 1.637 0.000 (0;000) ✗ 27/01/17
BP ICSD 615155 P6_3mc (186) ✗ 4 16 1 1.5643 1.691 0.000 (0;000) ✗ 06/10/16
CsSr2Nb3O10 ICSD 93675 P4/mmm (123) ✔ 16 128 2 1.5644 1.938 0.000 (0;000) ✗ 02/02/17
WOF4 COD 1523521 C2/m (12) ✔ 24 248 2 1.5645 1.567 0.000 (0;000) ✗ 04/08/17
BaS2 ICSD 42134 C2/c (15) ✔ 6 44 1 1.5646 1.599 0.000 (0;000) ✗ 05/01/17
CsCuF4 ICSD 35264 I4/mcm (140) ✔ 12 96 3 1.5647 1.629 0.000 (0;000) ✗ 02/02/17
Rb2Zn3O4 ICSD 40754 C2/c (15) ✔ 18 156 3 1.5657 1.566 0.000 (0;000) ✗ 02/02/17
NaSbO3 COD 4124538 Pnma (62) ✔ 20 128 3 1.567 1.567 0.000 (0;000) ✗ 02/02/17
TlBS3 COD 1511322 P2_1/c (14) ✔ 20 136 1 1.5675 1.727 0.000 (0;000) ✗ 02/02/17
GaP ICSD 103795 F-43m (216) ✗ 2 18 3 1.5678 1.791 0.000 (0;000) ✗ 06/10/16
KNbO3 ICSD 9535 P4mm (99) ✗ 5 40 3 1.5687 2.384 0.000 (0;000) ✗ 29/11/16
Al2HgSe4 ICSD 33827 I-4 (82) ✗ 7 42 3 1.5688 1.569 0.000 (0;000) ✗ 06/10/16
CsBiS2 ICSD 72975 P2_1/c (14) ✔ 16 144 1 1.5688 1.689 0.000 (0;000) ✗ 02/02/17
NbTl3Se4 ICSD 600249 I-43m (217) ✗ 8 76 3 1.5689 1.654 0.000 (0;000) ✗ 06/10/16
RhCl3 ICSD 25764 C2/m (12) ✔ 8 76 2 1.5711 1.663 0.000 (0;000) ✗ 27/01/17
Zn(GaSe2)2 ICSD 168594 I-4 (82) ✗ 7 62 3 1.5712 1.571 0.000 (0;000) ✗ 06/10/16
BeTe ICSD 183375 F-43m (216) ✗ 2 10 1 1.572 3.253 0.000 (0;000) ✗ 06/10/16
ICl3 COD 4336764 P-1 (2) ✔ 8 56 1 1.572 1.573 0.000 (0;000) ✗ 02/02/17
Cs2Cd3Te4 COD 1521662 Ibam (72) ✔ 18 156 2 1.5731 1.573 0.000 (0;000) ✗ 22/03/17
Zn(GaSe2)2 ICSD 44887 I-4 (82) ✗ 7 62 3 1.5742 1.574 0.000 (0;000) ✗ 06/10/16
Al2HgS4 ICSD 608160 Fd-3m (227) ✔ 14 84 3 1.5745 1.575 0.000 (0;000) ✗ 30/01/17
Na4SnSe4 ICSD 72384 P-42_1c (114) ✗ 18 148 1 1.5747 1.575 0.000 (0;000) ✗ 29/03/17
Na2B2Se7 COD 1510772 C2/c (15) ✔ 22 132 3 1.5748 1.694 0.000 (0;000) ✗ 04/08/17
K3SbSe4 ICSD 65142 R3c (161) ✗ 16 112 1 1.575 1.576 0.000 (0;000) ✗ 29/03/17
GaTeI7 ICSD 407982 Pc (7) ✗ 18 136 1 1.5755 1.763 0.000 (0;000) ✗ 22/03/17
GaS COD 9008966 P6_3/mmc (194) ✔ 8 76 2 1.5763 1.638 0.000 (0;000) ✗ 27/01/17
Rb3Sb2Br9 ICSD 39823 P-3m1 (164) ✔ 14 100 2 1.5771 1.799 0.000 (0;000) ✗ 02/02/17
RbAu(SeO4)2 ICSD 413989 C2/m (12) ✔ 12 80 2 1.5782 1.584 0.000 (0;000) ✗ 05/01/17
K3BiO4 ICSD 412393 P-1 (2) ✔ 16 132 1 1.5786 1.609 0.000 (0;000) ✗ 02/02/17
KNbO3 ICSD 190921 P4mm (99) ✗ 5 40 3 1.5793 2.391 0.000 (0;000) ✗ 29/11/16
MgSe2 ICSD 642815 Pa3 (205) ✔ 12 88 3 1.5797 1.703 0.000 (0;000) ✗ 02/02/17
TlNO2 ICSD 50326 P3_121 (152) ✗ 12 90 1 1.5802 1.634 0.000 (0;000) ✗ 06/10/16
TaCu3Se4 ICSD 427174 P-43m (215) ✗ 8 70 3 1.5807 2.033 0.000 (0;000) ✗ 06/10/16
KNbO3 ICSD 9532 P4mm (99) ✗ 5 40 3 1.5819 2.398 0.000 (0;000) ✗ 29/11/16
Al2HgSe4 ICSD 183396 I-4 (82) ✗ 7 42 3 1.582 1.582 0.000 (0;000) ✗ 06/10/16
K3NbO8 ICSD 30405 I-42m (121) ✗ 12 88 1 1.5824 1.656 0.000 (0;000) ✗ 07/10/16
Al2HgSe4 ICSD 25638 I-4 (82) ✗ 7 42 3 1.5826 1.583 0.000 (0;000) ✗ 06/10/16
Si2Hg6O7 COD 9001301 C2/m (12) ✔ 15 122 3 1.5831 1.837 0.000 (0;000) ✗ 02/02/17
AlPS4 ICSD 15910 P222 (16) ✗ 12 64 2 1.5836 1.670 0.000 (0;000) ✗ 06/10/16
Cs2PbO2 ICSD 2268 P-1 (2) ✔ 20 176 3 1.5836 1.598 0.000 (0;000) ✗ 22/03/17
Hg2PCl2 ICSD 50594 C2/m (12) ✔ 10 86 3 1.5841 2.163 0.000 (0;000) ✗ 02/02/17
Sr3Sc2Cu2S2O5 ICSD 88425 I4/mmm (139) ✔ 14 116 1 1.5845 1.585 0.000 (0;000) ✗ 22/03/17
CoBW COD 1511056 Pnma (62) ✔ 12 136 3 1.5852 0.022 1.000 (0;000) ✗ 21/03/17
CsAuSe COD 1510104 Cmcm (63) ✔ 6 52 1 1.5866 1.850 0.000 (0;000) ✗ 02/02/17
S3(NO)2 COD 7221380 C2/c (15) ✔ 14 80 1 1.5897 1.717 0.000 (0;000) ✗ 02/02/17
InBi2S4Cl ICSD 484 C2/m (12) ✔ 8 74 2 1.5901 1.742 0.000 (0;000) ✗ 05/01/17
BaPd(SeO3)2 ICSD 423571 C2/c (15) ✔ 20 152 1 1.5909 1.856 0.000 (0;000) ✗ 02/02/17
GeC ICSD 182363 F-43m (216) ✗ 2 8 3 1.5913 3.553 0.000 (0;000) ✗ 06/10/16
Cs2LiVS4 ICSD 414186 Fddd (70) ✔ 16 116 1 1.5915 1.592 0.000 (0;000) ✗ 22/03/17
LiNbO2 COD 1008671 P6_3/mmc (194) ✔ 8 56 2 1.5916 1.592 0.000 (0;000) ✗ 27/01/17
LiInTe2 ICSD 162674 I-42d (122) ✗ 8 56 3 1.5919 1.592 0.000 (0;000) ✗ 07/10/16
CsCu2Br3 ICSD 150304 Cmcm (63) ✔ 12 104 1 1.5921 1.592 0.000 (0;000) ✗ 02/02/17
Li2SnTeO6 ICSD 40265 Pnn2 (34) ✗ 20 124 3 1.5928 1.593 0.000 (0;000) ✗ 29/03/17
Cs5Nb2S4Cl9 ICSD 410591 Immm (71) ✔ 20 158 1 1.5949 1.599 0.000 (0;000) ✗ 22/03/17
Ba2InGaO5 ICSD 248616 Ima2 (46) ✗ 18 152 3 1.595 1.595 0.000 (0;000) ✗ 21/03/17
KNa2CuO2 COD 2101592 I4mm (107) ✗ 6 50 1 1.595 1.886 0.000 (0;000) ✗ 15/02/17
BaGa4Se7 COD 4316718 Pc (7) ✗ 24 208 3 1.5971 1.597 0.000 (0;000) ✗ 04/08/17
Tl2GeS3 ICSD 2240 P-1 (2) ✔ 12 96 1 1.5977 1.697 0.000 (0;000) ✗ 02/02/17
TlI ICSD 60491 Fm-3m (225) ✔ 2 20 3 1.5987 1.599 0.000 (0;000) ✗ 30/01/17
AlAs ICSD 67771 P6_3mc (186) ✗ 4 16 3 1.599 1.705 0.000 (0;000) ✗ 06/10/16
Al2HgSe4 ICSD 183502 I-4 (82) ✗ 7 42 3 1.5998 1.600 0.000 (0;000) ✗ 06/10/16
CaO2 ICSD 20275 I4/mmm (139) ✔ 3 22 1 1.5999 1.600 0.000 (0;000) ✗ 27/01/17
Ca(AuO2)2 COD 7209402 I4_1/a (88) ✔ 14 112 3 1.6019 1.602 0.000 (0;000) ✗ 05/01/17
Li4PbO4 ICSD 1411 Cmcm (63) ✔ 18 100 1 1.602 1.602 0.000 (0;000) ✗ 27/01/17
Mg(AlC)2 COD 4030910 P-3m1 (164) ✔ 5 24 3 1.602 2.609 0.000 (0;000) ✗ 27/01/17
GaCuI4 ICSD 400817 I-4 (82) ✗ 6 52 3 1.6021 1.602 0.000 (0;000) ✗ 06/10/16
Ba2CdSe3 ICSD 66653 Pnma (62) ✔ 24 200 1 1.6033 1.603 0.000 (0;000) ✗ 04/08/17
PIrSe ICSD 640901 P2_13 (198) ✗ 12 112 3 1.6034 1.909 0.000 (0;000) ✗ 15/02/17
TlCl COD 9008794 Pm-3m (221) ✔ 2 20 1 1.6046 1.903 0.000 (0;000) ✗ 27/01/17
HgSO4 ICSD 100316 Pn2_1m (31) ✗ 12 84 3 1.6049 2.007 0.000 (0;000) ✗ 06/10/16
NaScS2 ICSD 644971 R-3m (166) ✔ 4 32 2 1.6051 2.392 0.000 (0;000) ✗ 27/01/17
CsAuC2 ICSD 411251 P4/mmm (123) ✔ 4 28 1 1.6056 1.606 0.000 (0;000) ✗ 27/01/17
Sr(AuO2)2 COD 1510452 I4_1/a (88) ✔ 14 112 3 1.6058 1.644 0.000 (0;000) ✗ 05/01/17
InGaS3 ICSD 62340 Ccm2_1 (36) ✗ 10 88 2 1.6062 1.706 0.000 (0;000) ✗ 06/10/16
Ba2P7I ICSD 426195 P2_1/m (11) ✔ 20 124 1 1.6064 1.767 0.000 (0;000) ✗ 02/02/17
K2SeBr6 COD 1010627 Fm-3m (225) ✔ 9 66 2 1.6082 1.983 0.000 (0;000) ✗ 02/02/17
AgN3 COD 1010308 I4/mcm (140) ✔ 8 52 3 1.6092 1.609 0.000 (0;000) ✗ 05/01/17
Ca4PdO6 ICSD 88134 R-3c (167) ✔ 22 188 2 1.6098 1.610 0.000 (0;000) ✗ 07/08/17
NbCu3S4 ICSD 628471 P-43m (215) ✗ 8 70 3 1.6107 2.038 0.000 (0;000) ✗ 06/10/16
K2PtCl6 COD 2105522 Fm-3m (225) ✔ 9 70 1 1.611 1.611 0.000 (0;000) ✗ 02/02/17
SbSBr COD 1521208 Pnma (62) ✔ 12 72 1 1.6118 1.785 0.000 (0;000) ✗ 02/02/17
Rb2Ti(CuS2)2 COD 4319681 P4_2/mcm (132) ✔ 18 152 2 1.6121 1.886 0.000 (0;000) ✗ 02/02/17
InOF ICSD 2521 Fddd (70) ✔ 12 104 3 1.6122 1.612 0.000 (0;000) ✗ 27/01/17
V2O5 COD 2102583 P2_1/m (11) ✔ 14 112 2 1.6128 1.826 0.000 (0;000) ✗ 27/01/17
SiC COD 2310588 R3m (160) ✗ 16 64 3 1.6136 2.745 0.000 (0;000) ✗ 22/03/17
PbO ICSD 36250 Pbc2_1 (29) ✗ 8 80 3 1.6145 1.935 0.000 (0;000) ✗ 06/10/16
In6Ge2PtO9 ICSD 170897 Fm-3m (225) ✔ 18 150 3 1.6147 1.767 0.000 (0;000) ✗ 02/02/17
NbCu3S4 ICSD 183994 P-43m (215) ✗ 8 70 3 1.6153 2.044 0.000 (0;000) ✗ 06/10/16
NaTl2RhF6 ICSD 27340 Fm-3m (225) ✔ 10 94 1 1.6166 1.617 0.000 (0;000) ✗ 27/01/17
Tl2PtCl6 COD 1010239 Fm-3m (225) ✔ 9 78 1 1.619 1.664 0.000 (0;000) ✗ 02/02/17
NaV2Bi3O10 ICSD 88455 P1 (1) ✗ 16 140 3 1.6199 1.676 0.000 (0;000) ✗ 21/03/17
Hf2SN2 ICSD 250914 Immm (71) ✔ 5 40 3 1.62 1.644 0.000 (0;000) ✗ 27/01/17
K2NbCuSe4 ICSD 73324 Fddd (70) ✔ 16 132 1 1.6201 1.793 0.000 (0;000) ✗ 02/02/17
Cs2PdCl4 COD 1532216 P4/mmm (123) ✔ 7 64 1 1.6208 1.621 0.000 (0;000) ✗ 02/02/17
InTeBr COD 1524712 P2_1/c (14) ✔ 12 104 2 1.6209 1.621 0.000 (0;000) ✗ 02/02/17
Pd(SeCl3)2 ICSD 39435 C2/c (15) ✔ 18 144 1 1.6214 1.627 0.000 (0;000) ✗ 02/02/17
TeAuCl7 COD 7209382 P-1 (2) ✔ 18 132 1 1.6215 1.787 0.000 (0;000) ✗ 30/01/17
SeBr ICSD 37019 Cc2e (41) ✗ 8 52 1 1.6226 1.760 0.000 (0;000) ✗ 06/10/16
SiC COD 9000028 R3m (160) ✗ 14 56 3 1.6226 2.836 0.000 (0;000) ✗ 15/03/17
SbSBr ICSD 88587 P2_1nb (33) ✗ 12 72 1 1.6228 1.792 0.000 (0;000) ✗ 06/10/16
Tl2Hg2PdCl8 ICSD 203186 C2/m (12) ✔ 13 124 1 1.6229 1.675 0.000 (0;000) ✗ 02/02/17
Hg(AuF4)2 COD 1510401 P4/mcc (124) ✔ 22 180 3 1.6236 1.625 0.000 (0;000) ✗ 07/08/17
VAg2AsO6 ICSD 425757 P-1 (2) ✔ 20 152 3 1.624 1.635 0.000 (0;000) ✗ 30/01/17
Cd(GaSe2)2 ICSD 619889 I-4 (82) ✗ 7 62 3 1.6245 1.625 0.000 (0;000) ✗ 06/10/16
Li2O2 COD 1514089 P6_3/mmc (194) ✔ 8 36 1 1.6247 1.625 0.000 (0;000) ✗ 27/01/17
CsCu3S2 ICSD 23326 P-3m1 (164) ✔ 6 54 2 1.6265 2.016 0.000 (0;000) ✗ 27/01/17
ICl COD 9008992 P2_1/c (14) ✔ 16 112 1 1.6268 1.696 0.000 (0;000) ✗ 02/02/17
Nb2Tl5S4Br9 ICSD 418796 Immm (71) ✔ 20 178 2 1.627 1.638 0.000 (0;000) ✗ 02/02/17
Sr2PbO4 COD 1528937 Pbam (55) ✔ 14 116 1 1.6272 1.816 0.000 (0;000) ✗ 02/02/17
Cd(GaS2)2 ICSD 2286 I-4 (82) ✗ 7 62 3 1.628 1.628 0.000 (0;000) ✗ 06/10/16
Rb6Br4O ICSD 411955 R-3c (167) ✔ 22 176 1 1.6305 1.631 0.000 (0;000) ✗ 07/08/17
K2NaAlP2 ICSD 73279 Ibam (72) ✔ 12 80 1 1.6306 1.898 0.000 (0;000) ✗ 30/01/17
AgN3 COD 4307489 P2_1/c (14) ✔ 16 104 3 1.6308 1.831 0.000 (0;000) ✗ 30/01/17
BiPPbO5 ICSD 419125 P-1 (2) ✔ 16 128 3 1.6308 1.743 0.000 (0;000) ✗ 02/02/17
Mg(SbO3)2 COD 9015308 P4_2/mnm (136) ✔ 18 112 3 1.632 1.632 0.000 (0;000) ✗ 27/01/17
Tl2TeBr6 ICSD 99127 P4/mnc (128) ✔ 18 148 1 1.6322 1.833 0.000 (0;000) ✗ 02/02/17
Bi2O3 ICSD 168815 Pnab (60) ✔ 20 112 3 1.6331 1.633 0.000 (0;000) ✗ 06/10/16
NbCu3S4 ICSD 628472 P-43m (215) ✗ 8 70 3 1.6338 2.075 0.000 (0;000) ✗ 06/10/16
Sr2VN3 ICSD 80176 C2/c (15) ✔ 24 192 1 1.6347 1.643 0.000 (0;000) ✗ 04/08/17
Hg2P2O7 COD 2006377 P-1 (2) ✔ 22 152 3 1.635 2.154 0.000 (0;000) ✗ 07/08/17
NbCu3S4 ICSD 628466 P-43m (215) ✗ 8 70 3 1.635 2.077 0.000 (0;000) ✗ 06/10/16
Ca2PI ICSD 65217 R-3m (166) ✔ 4 32 1 1.6369 1.930 0.000 (0;000) ✗ 21/03/17
K2SnO3 ICSD 24131 Pnma (62) ✔ 24 200 2 1.6375 1.638 0.000 (0;000) ✗ 04/08/17
Hg2TeO3 ICSD 203064 P2cm (28) ✗ 12 96 3 1.6381 2.000 0.000 (0;000) ✗ 06/10/16
Cd3(BO3)2 COD 2212013 Pnnm (58) ✔ 22 156 3 1.639 1.639 0.000 (0;000) ✗ 07/08/17
PtCI2O ICSD 68098 C2/c (15) ✔ 20 136 2 1.6393 1.719 0.000 (0;000) ✗ 02/02/17
CaC2 ICSD 74665 I4/mmm (139) ✔ 3 18 1 1.6401 2.615 0.000 (0;000) ✗ 06/10/16
Ba(GaSe2)2 ICSD 24386 Cccm (66) ✔ 14 120 1 1.6402 1.861 0.000 (0;000) ✗ 02/02/17
NbCu3S4 ICSD 170784 P-43m (215) ✗ 8 70 3 1.6403 2.085 0.000 (0;000) ✗ 06/10/16
GeSe2 ICSD 637858 Fdd2 (43) ✗ 18 96 3 1.6404 1.722 0.000 (0;000) ✗ 22/03/17
AlTeI7 ICSD 401395 Pc (7) ✗ 18 116 1 1.6408 1.786 0.000 (0;000) ✗ 16/03/17
TaTl3Se4 ICSD 651969 I-43m (217) ✗ 8 76 3 1.6427 1.786 0.000 (0;000) ✗ 06/10/16
Pt(SCl3)2 ICSD 66013 P-1 (2) ✔ 9 64 1 1.6439 1.676 0.000 (0;000) ✗ 02/02/17
K2Sn2S5 ICSD 72378 C2/c (15) ✔ 18 152 3 1.6448 1.893 0.000 (0;000) ✗ 02/02/17
C2S3 COD 7006523 P2_1/c (14) ✔ 20 104 1 1.647 1.649 0.000 (0;000) ✗ 02/02/17
TaTl3Se4 ICSD 600250 I-43m (217) ✗ 8 76 3 1.6479 1.783 0.000 (0;000) ✗ 06/10/16
Li8SeN2 ICSD 247255 I4_1md (109) ✗ 22 80 1 1.648 1.648 0.000 (0;000) ✗ 04/08/17
C4S5O COD 2233890 Pc (7) ✗ 20 104 1 1.6485 1.711 0.000 (0;000) ✗ 21/03/17
CsAu3S2 COD 1510489 P-3m1 (164) ✔ 6 54 2 1.6491 1.649 0.000 (0;000) ✗ 05/01/17
TaTl3Se4 ICSD 52431 I-43m (217) ✗ 8 76 3 1.6512 1.781 0.000 (0;000) ✗ 06/10/16
In2GaBiS6 ICSD 410032 P2_1/m (11) ✔ 20 180 3 1.6515 1.723 0.000 (0;000) ✗ 02/02/17
Nb3AgO8 COD 7209349 Ibam (72) ✔ 24 196 3 1.6519 1.652 0.000 (0;000) ✗ 04/08/17
NaAuF4 COD 1510141 I4/mcm (140) ✔ 12 96 1 1.6526 1.659 0.000 (0;000) ✗ 05/01/17
KClO4 COD 1010568 F-43m (216) ✗ 6 40 1 1.6538 1.654 0.000 (0;000) ✗ 15/02/17
Na4RuH6 ICSD 638362 R-3c (167) ✔ 22 116 1 1.6539 1.654 0.000 (0;000) ✗ 04/08/17
KBi(PS3)2 COD 8100356 P2_1 (4) ✗ 20 140 2 1.6544 1.819 0.000 (0;000) ✗ 21/03/17
Cs2PdCl4 COD 1532214 Cmcm (63) ✔ 14 128 1 1.6548 1.655 0.000 (0;000) ✗ 02/02/17
Rb2NbCuSe4 ICSD 84305 Fddd (70) ✔ 16 132 1 1.6556 1.888 0.000 (0;000) ✗ 02/02/17
Cs2AgSbS4 ICSD 55367 P-1 (2) ✔ 16 116 1 1.6561 1.709 0.000 (0;000) ✗ 30/01/17
TlGeI3 ICSD 201144 Pnma (62) ✔ 20 152 2 1.6566 1.729 0.000 (0;000) ✗ 02/02/17
Zn2IN ICSD 425735 Pnma (62) ✔ 16 144 3 1.6574 1.693 0.000 (0;000) ✗ 02/02/17
CdPS3 ICSD 620232 C2/m (12) ✔ 10 70 2 1.6575 1.969 0.000 (0;000) ✗ 02/02/17
RbI3 ICSD 61348 Pnma (62) ✔ 16 120 1 1.6576 1.668 0.000 (0;000) ✗ 02/02/17
NaNbO3 COD 2002944 P4/mbm (127) ✔ 10 80 3 1.6578 1.782 0.000 (0;000) ✗ 27/01/17
Ba2BiSbO6 COD 2100575 Fm-3m (225) ✔ 10 76 3 1.6586 2.757 0.000 (0;000) ✗ 05/01/17
KAl(SO4)2 COD 1011235 P321 (150) ✗ 12 72 2 1.6616 1.732 0.000 (0;000) ✗ 15/02/17
CdI2 ICSD 42210 P3m1 (156) ✗ 18 156 1 1.6622 1.903 0.000 (0;000) ✗ 22/03/17
Tl4CdI6 COD 4510235 P4/mnc (128) ✔ 22 212 3 1.6639 1.664 0.000 (0;000) ✗ 07/08/17
HCI3 COD 5900001 P6_3 (173) ✗ 10 52 1 1.6658 1.794 0.000 (0;000) ✗ 22/03/17
CuBS2 ICSD 156413 I-42d (122) ✗ 8 52 3 1.6658 1.666 0.000 (0;000) ✗ 07/10/16
Cs2NbCuSe4 ICSD 84306 Fddd (70) ✔ 16 132 1 1.6663 2.025 0.000 (0;000) ✗ 22/03/17
MgSe COD 9008673 Fm-3m (225) ✔ 2 16 3 1.6665 2.469 0.000 (0;000) ✗ 27/01/17
Cd2PCl2 ICSD 412647 P2_1/c (14) ✔ 20 172 3 1.6678 1.668 0.000 (0;000) ✗ 02/02/17
IrCl3 ICSD 25716 Fddd (70) ✔ 16 152 3 1.6687 1.699 0.000 (0;000) ✗ 02/02/17
RbAuSe COD 8103428 Cmcm (63) ✔ 6 52 1 1.6696 1.949 0.000 (0;000) ✗ 05/01/17
KMgP ICSD 641231 P4/nmm (129) ✔ 6 48 1 1.6702 1.715 0.000 (0;000) ✗ 27/01/17
Tl4PbI6 COD 7221245 Pbam (55) ✔ 22 216 3 1.6709 1.674 0.000 (0;000) ✗ 07/08/17
Be4TeO7 COD 2106455 F-43m (216) ✗ 12 64 1 1.6716 1.672 0.000 (0;000) ✗ 15/02/17
TiPbO3 COD 9011193 Pm-3m (221) ✔ 5 44 3 1.6718 1.692 0.000 (0;000) ✗ 27/01/17
Rb3BP2 COD 8103471 C2/c (15) ✔ 12 80 1 1.6726 2.002 0.000 (0;000) ✗ 02/02/17
Ga2TeSe2 ICSD 64617 I4_1md (109) ✗ 10 88 3 1.673 1.679 0.000 (0;000) ✗ 07/10/16
K2SnBr6 ICSD 35557 P2_1/c (14) ✔ 18 148 1 1.6747 1.675 0.000 (0;000) ✗ 02/02/17
BCl(OF2)2 ICSD 60080 Cc (9) ✗ 16 100 1 1.6747 1.684 0.000 (0;000) ✗ 21/03/17
S COD 9014401 P3_221 (154) ✗ 9 54 1 1.6752 1.727 0.000 (0;000) ✗ 15/02/17
LiYS2 ICSD 44957 R-3m (166) ✔ 4 26 2 1.6757 2.755 0.000 (0;000) ✗ 27/01/17
Ag2TeO3 COD 1509697 P2_1/c (14) ✔ 24 184 3 1.6765 1.781 0.000 (0;000) ✗ 04/08/17
B6O COD 1511635 R-3m (166) ✔ 14 48 3 1.679 1.679 0.000 (0;000) ✗ 05/01/17
RbS ICSD 73175 Immm (71) ✔ 4 30 1 1.6796 1.873 0.000 (0;000) ✗ 27/01/17
Ba3In2Cl2O5 COD 2002522 I4/mmm (139) ✔ 12 100 2 1.6797 2.375 0.000 (0;000) ✗ 02/02/17
Mg2C3 ICSD 71941 Pnnm (58) ✔ 10 64 3 1.6804 2.671 0.000 (0;000) ✗ 27/01/17
Cs3BAs2 ICSD 300122 C2/c (15) ✔ 12 80 1 1.6808 1.772 0.000 (0;000) ✗ 30/01/17
H2C3O COD 2002929 P-1 (2) ✔ 24 80 1 1.6811 1.714 0.000 (0;000) ✗ 04/08/17
Cs2AgAsS4 ICSD 55368 P-1 (2) ✔ 16 116 1 1.6825 1.775 0.000 (0;000) ✗ 16/03/17
H8Pt(NCl3)2 ICSD 97927 Fm-3m (225) ✔ 17 70 1 1.6827 1.683 0.000 (0;000) ✗ 02/02/17
Cd(GaSe2)2 ICSD 619892 I-4 (82) ✗ 7 62 3 1.6831 1.683 0.000 (0;000) ✗ 06/10/16
ZnSi(CuS2)2 ICSD 236248 Pc (7) ✗ 16 124 3 1.684 1.684 0.000 (0;000) ✗ 22/03/17
KHgI3 COD 1529983 Pna2_1 (33) ✗ 20 168 1 1.6841 1.684 0.000 (0;000) ✗ 29/03/17
RbBSe3 COD 1511307 P2_1/c (14) ✔ 20 120 1 1.6861 1.918 0.000 (0;000) ✗ 02/02/17
Ga2HgS4 ICSD 25643 I-4 (82) ✗ 7 62 3 1.6862 1.686 0.000 (0;000) ✗ 06/10/16
MgB9N COD 2012796 R-3m (166) ✔ 22 84 3 1.6873 1.742 0.000 (0;000) ✗ 04/08/17
Ca2VN3 ICSD 409644 C2/c (15) ✔ 24 192 1 1.6877 1.751 0.000 (0;000) ✗ 04/08/17
InTeCl ICSD 21031 P2_1/c (14) ✔ 24 208 2 1.6881 1.688 0.000 (0;000) ✗ 04/08/17
BaCuSF ICSD 183712 P4/nmm (129) ✔ 8 68 1 1.6889 1.689 0.000 (0;000) ✗ 05/01/17
VAg2PO6 ICSD 73580 C2/m (12) ✔ 20 152 3 1.6895 1.784 0.000 (0;000) ✗ 30/01/17
IrCl3 ICSD 23171 C2/m (12) ✔ 8 76 2 1.6895 1.690 0.000 (0;000) ✗ 27/01/17
TlV3O8 COD 9007733 P2_1/m (11) ✔ 24 200 3 1.6922 1.692 0.000 (0;000) ✗ 04/08/17
WSCl4 ICSD 16125 P-1 (2) ✔ 12 124 1 1.6929 1.693 0.000 (0;000) ✗ 11/04/17
Ga2HgS4 ICSD 189738 I-4 (82) ✗ 7 62 3 1.6944 1.694 0.000 (0;000) ✗ 06/10/16
Hg ICSD 15902 P2_1/c (14) ✔ 6 72 3 1.6952 1.722 0.000 (0;000) ✗ 02/02/17
K6CdO4 ICSD 62053 P6_3mc (186) ✗ 22 180 3 1.6958 1.709 0.000 (0;000) ✗ 07/08/17
PbCN2 COD 2310547 Pna2_1 (33) ✗ 16 112 2 1.6961 1.912 0.000 (0;000) ✗ 22/03/17
K2TeBr6 ICSD 37270 P4/mnc (128) ✔ 18 132 1 1.6962 1.875 0.000 (0;000) ✗ 02/02/17
BaBiBS4 COD 4316058 C2/m (12) ✔ 14 104 1 1.6965 1.890 0.000 (0;000) ✗ 02/02/17
AgH4WS4N ICSD 84370 I-4 (82) ✗ 11 72 1 1.6977 1.953 0.000 (0;000) ✗ 11/04/17
InI2 ICSD 201607 Pnna (52) ✔ 24 216 1 1.6982 1.707 0.000 (0;000) ✗ 04/08/17
SnPS3 ICSD 72835 P2_1/c (14) ✔ 20 148 3 1.6984 1.832 0.000 (0;000) ✗ 02/02/17
As(CN)3 ICSD 35330 C2 (5) ✗ 14 64 2 1.6993 1.742 0.000 (0;000) ✗ 21/03/17
InGaO3 ICSD 30339 P6_3/mmc (194) ✔ 10 88 3 1.6994 1.915 0.000 (0;000) ✗ 27/01/17
K3BP2 COD 8103458 C2/c (15) ✔ 12 80 1 1.6994 2.098 0.000 (0;000) ✗ 02/02/17
BiAsPbO5 ICSD 419124 C2/m (12) ✔ 16 128 3 1.7009 1.885 0.000 (0;000) ✗ 30/01/17
Cs5Nb2S4Br9 ICSD 410590 Immm (71) ✔ 20 158 1 1.7015 1.702 0.000 (0;000) ✗ 02/02/17
CrHgO4 ICSD 2224 P2_1/c (14) ✔ 24 200 3 1.7041 1.705 0.000 (0;000) ✗ 04/08/17
KPS3 ICSD 33278 Immm (71) ✔ 10 64 1 1.7043 1.718 0.000 (0;000) ✗ 02/02/17
Br COD 9013118 Cmce (64) ✔ 4 28 1 1.7043 1.768 0.000 (0;000) ✗ 27/01/17
CdGeO3 COD 1530775 C2/c (15) ✔ 20 136 3 1.7048 1.761 0.000 (0;000) ✗ 02/02/17
Li5NCl2 ICSD 84763 R-3m (166) ✔ 8 34 1 1.7049 1.706 0.000 (0;000) ✗ 22/03/17
RbScS2 COD 2020008 R-3m (166) ✔ 4 32 2 1.7063 2.455 0.000 (0;000) ✗ 27/01/17
NaHgPO4 ICSD 32511 Cmcm (63) ✔ 14 100 1 1.7065 1.883 0.000 (0;000) ✗ 27/01/17
Cs2PbCl6 COD 1010242 Fm-3m (225) ✔ 9 74 1 1.7069 1.707 0.000 (0;000) ✗ 02/02/17
AgNO3 ICSD 374 R3c (161) ✗ 10 68 3 1.7072 1.921 0.000 (0;000) ✗ 06/10/16
Rb2Te ICSD 55148 Cmc2_1 (36) ✗ 6 48 2 1.7077 1.708 0.000 (0;000) ✗ 06/10/16
Rb2PtCl6 COD 1010237 Fm-3m (225) ✔ 9 70 1 1.7119 1.712 0.000 (0;000) ✗ 02/02/17
Na3BN2 COD 1511245 P2_1/c (14) ✔ 24 160 1 1.7121 1.849 0.000 (0;000) ✗ 04/08/17
Ca2PbO4 COD 2002530 Pbam (55) ✔ 14 116 1 1.7129 1.926 0.000 (0;000) ✗ 27/01/17
TlPS3 ICSD 658902 Immm (71) ✔ 10 72 1 1.7134 1.720 0.000 (0;000) ✗ 02/02/17
IO3 ICSD 182673 P-1 (2) ✔ 16 100 2 1.7136 1.767 0.000 (0;000) ✗ 02/02/17
K6HgS4 COD 9009861 P6_3mc (186) ✗ 22 180 1 1.7141 1.715 0.000 (0;000) ✗ 07/08/17
Na2Pd(SeO4)2 ICSD 249506 P-1 (2) ✔ 13 96 2 1.7145 1.715 0.000 (0;000) ✗ 27/01/17
LiInSe2 ICSD 56532 I-42d (122) ✗ 8 56 3 1.7153 1.715 0.000 (0;000) ✗ 07/10/16
Zn3CdS4 ICSD 168376 P-43m (215) ✗ 8 72 3 1.7167 1.717 0.000 (0;000) ✗ 06/10/16
RbPbF3 ICSD 49591 Pm-3m (221) ✔ 5 44 3 1.7182 1.718 0.000 (0;000) ✗ 27/01/17
KScS2 COD 2020007 R-3m (166) ✔ 4 32 2 1.7182 2.440 0.000 (0;000) ✗ 27/01/17
SbI3 ICSD 26082 R-3 (148) ✔ 8 52 2 1.7182 1.827 0.000 (0;000) ✗ 02/02/17
NaNbO3 COD 1011064 Pm-3m (221) ✔ 5 40 3 1.7183 2.402 0.000 (0;000) ✗ 27/01/17
Rb2HgF4 ICSD 72352 I4/mmm (139) ✔ 7 58 2 1.7196 3.330 0.000 (0;000) ✗ 27/01/17
Cs3Bi2Br9 COD 2106376 P-3m1 (164) ✔ 14 120 2 1.7199 1.866 0.000 (0;000) ✗ 02/02/17
AuBr COD 1510610 P4_2/ncm (138) ✔ 8 72 2 1.7201 1.721 0.000 (0;000) ✗ 30/01/17
Li2B2Se5 COD 1510746 C2/c (15) ✔ 18 84 3 1.7208 1.912 0.000 (0;000) ✗ 02/02/17
BaH2 ICSD 615913 Cmcm (63) ✔ 6 24 1 1.7224 2.854 0.000 (0;000) ✗ 02/02/17
Ga2HgS4 ICSD 67220 I-4 (82) ✗ 7 62 3 1.7231 1.723 0.000 (0;000) ✗ 06/10/16
SeBr ICSD 37017 P2_1/c (14) ✔ 16 104 1 1.7231 1.861 0.000 (0;000) ✗ 02/02/17
Cs2TlBiF6 ICSD 9385 Fm-3m (225) ✔ 10 88 3 1.7247 1.725 0.000 (0;000) ✗ 02/02/17
K4P2PdS8 ICSD 165312 P-1 (2) ✔ 15 112 1 1.7253 1.731 0.000 (0;000) ✗ 02/02/17
Ga2HgS4 ICSD 189739 I-4 (82) ✗ 7 62 3 1.7259 1.726 0.000 (0;000) ✗ 06/10/16
Ga2HgS4 ICSD 189737 I-4 (82) ✗ 7 62 3 1.7261 1.726 0.000 (0;000) ✗ 06/10/16
Li2ZrTeO6 COD 1001503 R3 (146) ✗ 10 52 3 1.7277 2.063 0.000 (0;000) ✗ 15/02/17
SiC ICSD 107204 P3m1 (156) ✗ 10 40 3 1.7282 2.854 0.000 (0;000) ✗ 06/10/16
TlIn3S5 ICSD 402124 C2/m (12) ✔ 18 164 3 1.729 1.829 0.000 (0;000) ✗ 29/03/17
Ba(BSe3)2 COD 1510647 Cmce (64) ✔ 18 104 2 1.7291 1.739 0.000 (0;000) ✗ 02/02/17
CO2 COD 1010150 Pn-3m (224) ✔ 12 64 3 1.7292 1.729 0.000 (0;000) ✗ 27/01/17
KAuSe COD 1510205 Cmcm (63) ✔ 6 52 1 1.7302 2.008 0.000 (0;000) ✗ 05/01/17
CsBa2Nb3O10 ICSD 93676 P4/mmm (123) ✔ 16 128 2 1.7309 2.086 0.000 (0;000) ✗ 02/02/17
RbHSO2 ICSD 425888 C2/m (12) ✔ 20 112 1 1.7316 1.779 0.000 (0;000) ✗ 02/02/17
CsI3 ICSD 38169 Pnma (62) ✔ 16 120 1 1.7324 1.753 0.000 (0;000) ✗ 02/02/17
Cs2GeSe4 ICSD 74832 C2/m (12) ✔ 14 92 1 1.7325 1.812 0.000 (0;000) ✗ 02/02/17
SbCl4F ICSD 74783 I-4 (82) ✗ 24 160 1 1.7328 1.733 0.000 (0;000) ✗ 04/08/17
Ca3AsCl3 ICSD 36002 Pm-3m (221) ✔ 7 56 1 1.7345 1.735 0.000 (0;000) ✗ 05/01/17
H2PbO2 ICSD 20701 Pnma (62) ✔ 20 112 3 1.7355 1.979 0.000 (0;000) ✗ 02/02/17
Al2Zn3O6 COD 3000024 Pm (6) ✗ 11 78 3 1.7357 1.795 0.000 (0;000) ✗ 15/02/17
Rb2Hg2PdCl8 ICSD 203187 C2/m (12) ✔ 13 116 1 1.737 1.763 0.000 (0;000) ✗ 02/02/17
Cs2SnSe3 ICSD 67251 C2/m (12) ✔ 12 100 1 1.7375 1.738 0.000 (0;000) ✗ 02/02/17
RbGeBr3 ICSD 65244 Pna2_1 (33) ✗ 20 136 1 1.7386 1.741 0.000 (0;000) ✗ 21/03/17
K2Sn(AuS2)2 ICSD 74022 P-1 (2) ✔ 18 156 1 1.7411 1.955 0.000 (0;000) ✗ 30/01/17
Sr6Li2Cr2N8O ICSD 411983 P-1 (2) ✔ 19 140 1 1.7419 1.768 0.000 (0;000) ✗ 02/02/17
Ga4SnSe7 COD 4001921 Pc (7) ✗ 24 216 3 1.7428 1.744 0.000 (0;000) ✗ 04/08/17
Cs2Sn2Hg3S8 ICSD 85598 P-1 (2) ✔ 15 130 1 1.743 1.786 0.000 (0;000) ✗ 02/02/17
K2GeSe3 ICSD 300233 P-1 (2) ✔ 12 80 1 1.7432 1.819 0.000 (0;000) ✗ 02/02/17
TaCu3S4 ICSD 53335 P-43m (215) ✗ 8 70 3 1.7448 2.035 0.000 (0;000) ✗ 06/10/16
Bi2TeO6 ICSD 6239 Cmce (64) ✔ 18 144 3 1.7449 1.745 0.000 (0;000) ✗ 02/02/17
Cs2PtCl6 COD 1010238 Fm-3m (225) ✔ 9 70 1 1.745 1.745 0.000 (0;000) ✗ 02/02/17
TaCu3S4 ICSD 628903 P-43m (215) ✗ 8 70 3 1.7472 2.038 0.000 (0;000) ✗ 06/10/16
RbAuC2 ICSD 411252 P4/mmm (123) ✔ 4 28 1 1.7472 1.828 0.000 (0;000) ✗ 27/01/17
TaCu3S4 ICSD 628897 P-43m (215) ✗ 8 70 3 1.7484 2.039 0.000 (0;000) ✗ 06/10/16
PbClF COD 1011058 P4/nmm (129) ✔ 6 56 1 1.7485 1.842 0.000 (0;000) ✗ 27/01/17
BaSnS2 ICSD 2587 P2_1/c (14) ✔ 16 144 1 1.7505 1.836 0.000 (0;000) ✗ 02/02/17
AsS COD 9015797 C2/c (15) ✔ 16 88 1 1.7512 1.920 0.000 (0;000) ✗ 30/01/17
Na2HgO2 ICSD 27409 I4/mmm (139) ✔ 5 42 1 1.7526 1.883 0.000 (0;000) ✗ 27/01/17
YScS3 ICSD 23422 Pna2_1 (33) ✗ 20 160 3 1.7558 1.858 0.000 (0;000) ✗ 29/03/17
CaC2 COD 1010500 Pn-3m (224) ✔ 12 72 1 1.7564 2.259 0.000 (0;000) ✗ 27/01/17
K2B2Se7 COD 1510734 C2/c (15) ✔ 22 132 2 1.7582 1.885 0.000 (0;000) ✗ 04/08/17
KNO3 ICSD 384 R3m (160) ✗ 5 32 1 1.7583 1.758 0.000 (0;000) ✗ 06/10/16
RbPS3 ICSD 416176 Immm (71) ✔ 10 64 1 1.759 1.775 0.000 (0;000) ✗ 02/02/17
K2CdSnSe4 ICSD 185468 I-42m (121) ✗ 8 68 1 1.761 1.761 0.000 (0;000) ✗ 22/03/17
OsC3I2O3 ICSD 68901 C2/m (12) ✔ 18 120 1 1.7617 1.846 0.000 (0;000) ✗ 02/02/17
Rb2Te ICSD 55115 Fm-3m (225) ✔ 3 24 1 1.7624 1.976 0.000 (0;000) ✗ 06/10/16
MoNCl3 COD 1528097 P-1 (2) ✔ 20 160 2 1.7625 1.819 0.000 (0;000) ✗ 02/02/17
SrGeO3 ICSD 28603 P-62m (189) ✗ 15 96 1 1.7626 1.776 0.000 (0;000) ✗ 22/03/17
Cs2PbO3 ICSD 62140 Cmcm (63) ✔ 12 100 2 1.7632 1.763 0.000 (0;000) ✗ 02/02/17
HgPS3 ICSD 2564 P-1 (2) ✔ 10 70 2 1.7638 1.890 0.000 (0;000) ✗ 02/02/17
CdGeO3 ICSD 30971 R-3 (148) ✔ 10 68 3 1.7638 1.904 0.000 (0;000) ✗ 27/01/17
CsS COD 1529661 Immm (71) ✔ 4 30 1 1.7649 1.976 0.000 (0;000) ✗ 27/01/17
K3SiTe3 COD 1527296 C2/m (12) ✔ 14 98 1 1.7652 2.013 0.000 (0;000) ✗ 02/02/17
SrSnO3 ICSD 27047 Pm-3m (221) ✔ 5 42 3 1.766 2.562 0.000 (0;000) ✗ 27/01/17
ZnSi(AgS2)2 ICSD 183705 Pc (7) ✗ 16 124 3 1.766 1.864 0.000 (0;000) ✗ 16/03/17
BC2N ICSD 93041 Pmm2 (25) ✗ 4 16 3 1.7669 1.967 0.000 (0;000) ✗ 06/10/16
Cs3TaO8 ICSD 30408 I-42m (121) ✗ 12 88 1 1.7678 1.807 0.000 (0;000) ✗ 22/03/17
As2S3 COD 9015549 P-1 (2) ✔ 20 112 1 1.7681 2.000 0.000 (0;000) ✗ 30/01/17
K2SnSe3 ICSD 300234 P-1 (2) ✔ 12 100 1 1.7684 1.768 0.000 (0;000) ✗ 02/02/17
K2TeSe3 ICSD 63012 P2_1/c (14) ✔ 24 168 1 1.7685 1.866 0.000 (0;000) ✗ 04/08/17
MgSi(CuS2)2 ICSD 425554 Pmn2_1 (31) ✗ 16 120 3 1.7685 1.769 0.000 (0;000) ✗ 22/03/17
TlF COD 1010462 Fmmm (69) ✔ 2 20 2 1.7688 1.769 0.000 (0;000) ✗ 27/01/17
KSb(PSe3)2 ICSD 90152 P2_1 (4) ✗ 20 120 3 1.769 1.795 0.000 (0;000) ✗ 29/03/17
TaTeBr9 ICSD 410949 P2_1/m (11) ✔ 22 164 1 1.7715 1.828 0.000 (0;000) ✗ 04/08/17
Tl4HgBr6 COD 1525715 P4/mnc (128) ✔ 22 212 3 1.7719 1.772 0.000 (0;000) ✗ 07/08/17
GeI2 COD 9009105 P-3m1 (164) ✔ 3 18 2 1.7731 1.802 0.000 (0;000) ✗ 22/03/17
CsCuS4 ICSD 402075 P2_12_12_1 (19) ✗ 24 176 1 1.7745 1.793 0.000 (0;000) ✗ 04/08/17
As(BrF2)3 ICSD 33811 P-1 (2) ✔ 20 136 1 1.7771 1.828 0.000 (0;000) ✗ 30/01/17
AlAgS2 ICSD 25356 P3m1 (156) ✗ 4 26 3 1.7772 1.844 0.000 (0;000) ✗ 06/10/16
Rb2O2 COD 9008990 Immm (71) ✔ 4 30 1 1.7779 1.859 0.000 (0;000) ✗ 27/01/17
BaSe COD 9008601 Fm-3m (225) ✔ 2 16 1 1.7784 1.971 0.000 (0;000) ✗ 05/01/17
SiO2 ICSD 75669 P2 (3) ✗ 12 64 3 1.7784 1.964 0.000 (0;000) ✗ 06/10/16
TlBr ICSD 61519 Fm-3m (225) ✔ 2 20 3 1.7789 1.779 0.000 (0;000) ✗ 27/01/17
Ga2HgS4 ICSD 634342 I-4 (82) ✗ 7 62 3 1.7791 1.779 0.000 (0;000) ✗ 06/10/16
SiC ICSD 24630 P6_3mc (186) ✗ 16 64 3 1.78 2.877 0.000 (0;000) ✗ 15/02/17
Rb6Cl4O ICSD 405193 R-3c (167) ✔ 22 176 1 1.7803 1.780 0.000 (0;000) ✗ 04/08/17
AgNO2 ICSD 23891 Imm2 (44) ✗ 4 28 3 1.7804 2.251 0.000 (0;000) ✗ 06/10/16
Ba2PbO4 ICSD 27113 I4/mmm (139) ✔ 7 58 2 1.7811 2.445 0.000 (0;000) ✗ 05/01/17
K2O COD 9009055 Fm-3m (225) ✔ 3 24 3 1.7816 2.244 0.000 (0;000) ✗ 27/01/17
PtPbF6 ICSD 4057 R-3m (166) ✔ 8 66 3 1.7818 1.946 0.000 (0;000) ✗ 27/01/17
WCl6 ICSD 26081 R-3 (148) ✔ 7 56 1 1.782 1.845 0.000 (0;000) ✗ 27/01/17
VPO5 ICSD 415924 Cc (9) ✗ 14 96 3 1.782 1.818 0.000 (0;000) ✗ 15/02/17
LiAlTe2 ICSD 162672 I-42d (122) ✗ 8 36 3 1.7823 1.809 0.000 (0;000) ✗ 07/10/16
YCuS2 COD 1526830 Pnma (62) ✔ 16 136 3 1.7825 1.837 0.000 (0;000) ✗ 02/02/17
RbTcO4 COD 1501468 I4_1/a (88) ✔ 12 96 1 1.7831 1.783 0.000 (0;000) ✗ 29/03/17
CsAuS ICSD 656712 Cmcm (63) ✔ 6 52 1 1.7838 1.986 0.000 (0;000) ✗ 05/01/17
KH2I3O ICSD 26338 Pc (7) ✗ 14 76 1 1.7843 1.828 0.000 (0;000) ✗ 28/03/17
Li3AuS2 COD 4319430 Ibam (72) ✔ 12 64 1 1.7845 1.785 0.000 (0;000) ✗ 02/02/17
C4S3Cl4 COD 7008813 P-1 (2) ✔ 22 124 1 1.7848 1.895 0.000 (0;000) ✗ 04/08/17
Cs2GeSe3 ICSD 415215 C2/m (12) ✔ 12 80 1 1.7854 1.887 0.000 (0;000) ✗ 02/02/17
CsAgBr2 ICSD 150302 P4/nmm (129) ✔ 8 68 2 1.7855 2.190 0.000 (0;000) ✗ 30/01/17
CsBSe3 COD 1511083 P2_1/c (14) ✔ 20 120 1 1.7859 1.948 0.000 (0;000) ✗ 02/02/17
Rb2NbAgSe4 ICSD 402423 Fddd (70) ✔ 16 132 1 1.7861 1.855 0.000 (0;000) ✗ 30/01/17
PbIBr ICSD 22138 Pnma (62) ✔ 12 112 1 1.7861 1.908 0.000 (0;000) ✗ 02/02/17
Ba2NaIO6 ICSD 425446 Fm-3m (225) ✔ 10 72 1 1.7866 1.787 0.000 (0;000) ✗ 21/03/17
Cd3(BO3)2 ICSD 427222 P-1 (2) ✔ 22 156 3 1.7867 2.021 0.000 (0;000) ✗ 04/08/17
Sr2H3I ICSD 422181 P-3m1 (164) ✔ 6 30 1 1.7868 2.196 0.000 (0;000) ✗ 29/03/17
K2Ag2GeS4 ICSD 170843 Fddd (70) ✔ 18 136 3 1.788 1.788 0.000 (0;000) ✗ 30/01/17
SrLi2Nb2O7 ICSD 88463 I4/mmm (139) ✔ 12 84 2 1.7886 2.155 0.000 (0;000) ✗ 29/03/17
BiPbClO2 COD 9012425 Cmcm (63) ✔ 10 96 2 1.7889 1.813 0.000 (0;000) ✗ 05/01/17
Ca(AuF6)2 COD 1510369 P-4m2 (115) ✗ 15 116 1 1.7901 1.888 0.000 (0;000) ✗ 21/03/17
TlF ICSD 30268 Fmmm (69) ✔ 2 20 1 1.7905 1.791 0.000 (0;000) ✗ 06/10/16
TaCu3S4 ICSD 185524 P-43m (215) ✗ 8 70 3 1.7907 2.127 0.000 (0;000) ✗ 06/10/16
MgH2 ICSD 155809 Pnma (62) ✔ 12 48 1 1.7913 3.828 0.000 (0;000) ✗ 27/01/17
NaAgF4 COD 1509326 I4/mcm (140) ✔ 12 96 1 1.7918 1.861 0.000 (0;000) ✗ 05/01/17
BaTiO3 ICSD 237109 Cm2m (38) ✗ 5 40 3 1.7918 1.910 0.000 (0;000) ✗ 06/10/16
SrMg2N2 ICSD 410826 P-3m1 (164) ✔ 5 40 2 1.7942 1.794 0.000 (0;000) ✗ 27/01/17
V2O5 COD 9012221 Pmmn (59) ✔ 14 112 2 1.7969 2.041 0.000 (0;000) ✗ 07/08/17
As4S5 COD 9012102 P2_1/m (11) ✔ 18 100 1 1.7978 2.005 0.000 (0;000) ✗ 30/01/17
Na2GeSe3 ICSD 49003 P2_1/c (14) ✔ 24 160 1 1.7979 1.798 0.000 (0;000) ✗ 04/08/17
Ba3In2O5F2 ICSD 80215 I4/mmm (139) ✔ 12 100 2 1.7992 2.648 0.000 (0;000) ✗ 21/03/17
TlAuCl4 COD 2018865 C2/c (15) ✔ 12 104 1 1.7994 1.820 0.000 (0;000) ✗ 30/01/17
K6MgO4 ICSD 2340 P6_3mc (186) ✗ 22 176 2 1.7997 1.800 0.000 (0;000) ✗ 07/08/17
KNaTe ICSD 67276 Pnma (62) ✔ 12 96 1 1.7998 1.800 0.000 (0;000) ✗ 02/02/17
HfI4 ICSD 200826 C2/c (15) ✔ 20 160 2 1.8004 1.800 0.000 (0;000) ✗ 02/02/17
Rb2Se ICSD 168449 Fm-3m (225) ✔ 3 24 1 1.8007 2.127 0.000 (0;000) ✗ 27/01/17
CsI2Br ICSD 23120 Pnma (62) ✔ 16 120 1 1.8017 1.820 0.000 (0;000) ✗ 02/02/17
Na2Te COD 9009066 Fm-3m (225) ✔ 3 24 1 1.802 1.802 0.000 (0;000) ✗ 27/01/17
Rb2SnSe3 ICSD 74844 P-1 (2) ✔ 12 100 1 1.8024 1.802 0.000 (0;000) ✗ 02/02/17
CrPb2O5 COD 8103050 C2/m (12) ✔ 16 144 3 1.8045 2.012 0.000 (0;000) ✗ 02/02/17
TlBr ICSD 109144 Cmcm (63) ✔ 4 40 2 1.8054 1.828 0.000 (0;000) ✗ 27/01/17
Ca3PCl3 COD 1530047 Pm-3m (221) ✔ 7 56 1 1.8056 1.806 0.000 (0;000) ✗ 27/01/17
CrPbO4 COD 9007486 P2_1/c (14) ✔ 24 208 3 1.8083 1.903 0.000 (0;000) ✗ 04/08/17
CsAuO COD 1510102 I4/mmm (139) ✔ 12 104 2 1.8084 1.808 0.000 (0;000) ✗ 02/02/17
RbSnI3 ICSD 400934 Pnma (62) ✔ 20 176 2 1.8086 1.882 0.000 (0;000) ✗ 02/02/17
BaTeS3 ICSD 8 Pnma (62) ✔ 20 136 1 1.8106 2.025 0.000 (0;000) ✗ 02/02/17
P2PdO6 COD 1530535 Pmna (53) ✔ 18 128 3 1.8132 1.857 0.000 (0;000) ✗ 02/02/17
NClOF4 ICSD 50216 I4cm (108) ✗ 14 92 1 1.8133 1.813 0.000 (0;000) ✗ 15/02/17
BaCdS2 ICSD 66655 Pnma (62) ✔ 16 136 3 1.8142 1.814 0.000 (0;000) ✗ 02/02/17
ScPS4 ICSD 67559 P-1 (2) ✔ 12 80 2 1.8147 1.862 0.000 (0;000) ✗ 02/02/17
RbPbI3 ICSD 161482 Pnma (62) ✔ 20 176 2 1.8148 1.861 0.000 (0;000) ✗ 02/02/17
Hg3(TeBr)2 ICSD 27402 I2_13 (199) ✗ 14 124 3 1.8149 1.863 0.000 (0;000) ✗ 21/03/17
Ba2PdF6 COD 1521027 Cmce (64) ✔ 18 160 1 1.8177 1.818 0.000 (0;000) ✗ 02/02/17
K2NaBP2 ICSD 300133 C2/m (12) ✔ 12 80 1 1.8181 1.907 0.000 (0;000) ✗ 02/02/17
KAuC2 ICSD 411255 P4/mmm (123) ✔ 4 28 1 1.8204 2.063 0.000 (0;000) ✗ 27/01/17
Nb2Cd2O7 COD 9009945 Fd-3m (227) ✔ 22 184 3 1.8211 2.269 0.000 (0;000) ✗ 07/08/17
NaHO ICSD 26833 P2_1/m (11) ✔ 6 32 1 1.8213 1.821 0.000 (0;000) ✗ 27/01/17
K2PdCl6 COD 9011293 Fm-3m (225) ✔ 9 78 1 1.8218 1.946 0.000 (0;000) ✗ 27/01/17
Li4NCl ICSD 84649 R-3m (166) ✔ 6 24 1 1.8222 1.875 0.000 (0;000) ✗ 27/01/17
BiBrO COD 9009161 P4/nmm (129) ✔ 6 56 2 1.8229 1.982 0.000 (0;000) ✗ 05/01/17
Ag2SeO3 COD 1509694 P2_1/c (14) ✔ 24 184 3 1.8233 1.895 0.000 (0;000) ✗ 04/08/17
Tl3V5O14 COD 4316138 P31m (157) ✗ 22 188 1 1.8245 1.855 0.000 (0;000) ✗ 04/08/17
MgInBr3 ICSD 402533 Pnma (62) ✔ 20 176 3 1.8247 2.328 0.000 (0;000) ✗ 02/02/17
P2S7 ICSD 423062 P-1 (2) ✔ 18 104 1 1.8252 1.896 0.000 (0;000) ✗ 02/02/17
Ag2Mo2O7 COD 4027813 P-1 (2) ✔ 22 184 3 1.8258 1.847 0.000 (0;000) ✗ 07/08/17
Sr(CuO)2 ICSD 25002 I4_1/amd (141) ✔ 10 88 3 1.8259 1.826 0.000 (0;000) ✗ 27/01/17
KCuS ICSD 49008 P2_1cn (33) ✗ 12 104 1 1.8268 1.849 0.000 (0;000) ✗ 06/10/16
CuN3 COD 2310148 I4_1/a (88) ✔ 16 104 3 1.8276 1.869 0.000 (0;000) ✗ 02/02/17
Hg2ClO COD 9009904 C2/c (15) ✔ 16 148 3 1.8283 1.933 0.000 (0;000) ✗ 02/02/17
KLi3PbO4 ICSD 37084 P-1 (2) ✔ 18 112 2 1.829 1.830 0.000 (0;000) ✗ 02/02/17
Ba2LiReO6 ICSD 109259 Fm-3m (225) ✔ 10 74 1 1.8305 1.905 0.000 (0;000) ✗ 05/01/17
CsCdCl3 COD 1010123 Pm-3m (221) ✔ 5 42 3 1.8314 2.333 0.000 (0;000) ✗ 27/01/17
Tl3VS4 ICSD 200270 I-43m (217) ✗ 8 76 3 1.8328 1.833 0.000 (0;000) ✗ 06/10/16
AlSbI6 ICSD 38253 C2/m (12) ✔ 16 100 2 1.8332 1.897 0.000 (0;000) ✗ 30/01/17
NbTl3S4 ICSD 600246 I-43m (217) ✗ 8 76 3 1.8349 1.969 0.000 (0;000) ✗ 06/10/16
Sr2NCl COD 1528370 R-3m (166) ✔ 4 32 1 1.8349 1.835 0.000 (0;000) ✗ 27/01/17
ScIO ICSD 419335 C2/m (12) ✔ 12 96 2 1.8352 1.925 0.000 (0;000) ✗ 02/02/17
GePbS3 ICSD 2090 P2_1/c (14) ✔ 20 144 3 1.8361 1.931 0.000 (0;000) ✗ 02/02/17
Cs2HgI4 COD 1526210 P2_1 (4) ✗ 14 116 1 1.8375 1.838 0.000 (0;000) ✗ 22/03/17
Na2H4Pt ICSD 638356 I4/mmm (139) ✔ 7 32 1 1.838 1.845 0.000 (0;000) ✗ 27/01/17
CsSnS3 ICSD 73008 P-1 (2) ✔ 10 82 1 1.838 1.955 0.000 (0;000) ✗ 02/02/17
Rb2Te ICSD 55158 P6_3/mmc (194) ✔ 6 48 2 1.8381 1.838 0.000 (0;000) ✗ 02/02/17
Cd2Os(CN)6 ICSD 417821 P-3 (147) ✔ 15 94 3 1.8382 1.838 0.000 (0;000) ✗ 02/02/17
CdPS3 ICSD 80875 R3 (146) ✗ 10 70 0 1.8394 2.251 0.000 (0;000) ✗ 06/10/16
HgI2 ICSD 22242 Ccm2_1 (36) ✗ 6 52 2 1.8395 1.994 0.000 (0;000) ✗ 06/10/16
CSe2 ICSD 60374 Cmce (64) ✔ 6 32 1 1.8396 2.057 0.000 (0;000) ✗ 27/01/17
CsNbN2 ICSD 72546 Fd-3m (227) ✔ 8 64 3 1.8404 1.853 0.000 (0;000) ✗ 27/01/17
S(IO3)2 ICSD 6220 C2/c (15) ✔ 18 112 2 1.8407 1.938 0.000 (0;000) ✗ 02/02/17
TlCdI3 ICSD 8009 Pnma (62) ✔ 20 184 2 1.8407 1.934 0.000 (0;000) ✗ 02/02/17
NaPb2IO6 ICSD 428081 P2_1/c (14) ✔ 20 160 3 1.8412 1.841 0.000 (0;000) ✗ 02/02/17
RbAuS COD 1510281 Cmcm (63) ✔ 6 52 1 1.8414 2.060 0.000 (0;000) ✗ 05/01/17
Cs2PtCl4 COD 9009288 Cmcm (63) ✔ 14 112 1 1.8445 1.845 0.000 (0;000) ✗ 02/02/17
CsSbS2 COD 1530125 P2_1/c (14) ✔ 16 104 1 1.8455 2.003 0.000 (0;000) ✗ 02/02/17
KNaZnO2 ICSD 38327 P2_1/c (14) ✔ 20 168 3 1.8459 1.846 0.000 (0;000) ✗ 02/02/17
Cs2O2 COD 9008991 Immm (71) ✔ 4 30 3 1.8466 1.901 0.000 (0;000) ✗ 27/01/17
Rb2CuBr3 ICSD 150295 Pnma (62) ✔ 24 200 1 1.8467 1.847 0.000 (0;000) ✗ 04/08/17
HgCN2 ICSD 412278 P2_1/c (14) ✔ 16 104 3 1.849 1.890 0.000 (0;000) ✗ 02/02/17
ScAgO2 ICSD 422442 R-3m (166) ✔ 4 34 3 1.8493 2.738 0.000 (0;000) ✗ 05/01/17
Na4Ge2Se5 ICSD 61401 P-1 (2) ✔ 22 148 1 1.8507 1.960 0.000 (0;000) ✗ 04/08/17
K2NiF6 ICSD 41416 Fm-3m (225) ✔ 9 70 1 1.8508 1.851 0.000 (0;000) ✗ 27/01/17
Rb2B2Se7 COD 1510813 C2/c (15) ✔ 22 132 2 1.852 1.932 0.000 (0;000) ✗ 04/08/17
SeS2(NO)2 ICSD 69978 C2/c (15) ✔ 14 80 1 1.8532 1.897 0.000 (0;000) ✗ 02/02/17
SbCl5 ICSD 412111 P6_3/mmc (194) ✔ 12 80 1 1.8539 1.854 0.000 (0;000) ✗ 02/02/17
PbO COD 2310433 Pbcm (57) ✔ 8 80 2 1.8544 2.040 0.000 (0;000) ✗ 27/01/17
PbO ICSD 15402 Pmab (57) ✔ 8 80 2 1.8544 2.040 0.000 (0;000) ✗ 06/10/16
BaTiO3 COD 5910149 Pm-3m (221) ✔ 5 40 3 1.8554 1.915 0.000 (0;000) ✗ 05/01/17
ScF3 COD 1010451 R32 (155) ✗ 4 32 3 1.8554 1.935 0.000 (0;000) ✗ 15/02/17
HfBrN ICSD 190383 R-3m (166) ✔ 6 48 2 1.8563 2.445 0.000 (0;000) ✗ 27/01/17
C3S7O ICSD 165374 P-1 (2) ✔ 22 120 1 1.8563 2.224 0.000 (0;000) ✗ 04/08/17
K2ZnTe2 ICSD 420088 Ibam (72) ✔ 10 84 1 1.8566 1.935 0.000 (0;000) ✗ 02/02/17
SbS2NCl6 ICSD 2441 Immm (71) ✔ 10 64 1 1.8567 1.857 0.000 (0;000) ✗ 02/02/17
NaH2N ICSD 34290 Fddd (70) ✔ 16 64 1 1.8569 1.857 0.000 (0;000) ✗ 27/01/17
Na3TlO2 COD 1530970 Pnma (62) ✔ 24 208 1 1.8583 2.207 0.000 (0;000) ✗ 04/08/17
Cs2GeCl6 COD 1010389 Fm-3m (225) ✔ 9 64 1 1.8603 1.860 0.000 (0;000) ✗ 02/02/17
Sr2IN COD 2215222 R-3m (166) ✔ 4 32 1 1.861 1.861 0.000 (0;000) ✗ 30/01/17
Na3BP2 COD 8103467 P2_1/c (14) ✔ 24 160 1 1.861 2.075 0.000 (0;000) ✗ 04/08/17
Cs2NbAgSe4 ICSD 50464 Fddd (70) ✔ 16 132 1 1.8633 2.014 0.000 (0;000) ✗ 16/03/17
CsCu2Cl3 COD 2310349 Cmcm (63) ✔ 12 104 1 1.8641 1.864 0.000 (0;000) ✗ 02/02/17
TaCu3S4 ICSD 183995 P-43m (215) ✗ 8 70 3 1.8642 2.305 0.000 (0;000) ✗ 06/10/16
TaTl3S4 ICSD 651107 I-43m (217) ✗ 8 76 1 1.8644 2.054 0.000 (0;000) ✗ 06/10/16
Ga2HgS4 ICSD 189740 I-4 (82) ✗ 7 62 3 1.8647 1.865 0.000 (0;000) ✗ 06/10/16
Pt(SCl4)2 ICSD 66012 P2_1/c (14) ✔ 22 156 1 1.8649 1.874 0.000 (0;000) ✗ 04/08/17
Rb2TeBr6 ICSD 49522 Fm-3m (225) ✔ 9 66 2 1.8651 2.124 0.000 (0;000) ✗ 02/02/17
CsPbI3 COD 4335639 Pnma (62) ✔ 20 176 2 1.8656 1.893 0.000 (0;000) ✗ 22/03/17
NaNO2 ICSD 31824 Imm2 (44) ✗ 4 26 1 1.8658 2.031 0.000 (0;000) ✗ 06/10/16
CdGe2O5 ICSD 23039 P-1 (2) ✔ 16 100 3 1.8665 2.017 0.000 (0;000) ✗ 27/01/17
RbSbS2 COD 1530127 P1 (1) ✗ 16 104 1 1.8665 1.867 0.000 (0;000) ✗ 29/03/17
Cs3BP2 COD 8103455 C2/c (15) ✔ 12 80 1 1.8676 1.908 0.000 (0;000) ✗ 02/02/17
TaTl3S4 ICSD 600247 I-43m (217) ✗ 8 76 1 1.8678 2.058 0.000 (0;000) ✗ 06/10/16
K4CO4 ICSD 245427 R3 (146) ✗ 9 64 3 1.8687 2.055 0.000 (0;000) ✗ 06/10/16
TaTl3S4 ICSD 16571 I-43m (217) ✗ 8 76 1 1.8689 2.059 0.000 (0;000) ✗ 06/10/16
Ba2Bi2O5 ICSD 69864 P2_1/c (14) ✔ 18 160 2 1.8699 2.004 0.000 (0;000) ✗ 02/02/17
RuS3Cl8 ICSD 410112 P-1 (2) ✔ 24 180 2 1.8706 1.957 0.000 (0;000) ✗ 04/08/17
Ni(NF7)2 ICSD 26397 I4/m (87) ✔ 17 118 1 1.8711 1.877 0.000 (0;000) ✗ 02/02/17
CuPN2 ICSD 194793 I-42d (122) ✗ 8 52 3 1.872 2.098 0.000 (0;000) ✗ 07/10/16
K2PbO2 ICSD 2266 P-1 (2) ✔ 20 176 1 1.8725 1.873 0.000 (0;000) ✗ 02/02/17
Zn3CdS4 ICSD 169185 P-43m (215) ✗ 8 72 3 1.8744 1.874 0.000 (0;000) ✗ 06/10/16
Br COD 1010096 Cmce (64) ✔ 4 28 1 1.8751 1.877 0.000 (0;000) ✗ 02/02/17
Ba4PtO6 ICSD 65706 R-3c (167) ✔ 22 172 1 1.8753 1.933 0.000 (0;000) ✗ 07/08/17
Cs2Te ICSD 36501 Pnma (62) ✔ 12 96 1 1.8757 1.876 0.000 (0;000) ✗ 02/02/17
K2NaRhF6 ICSD 27342 Fm-3m (225) ✔ 10 86 1 1.876 1.876 0.000 (0;000) ✗ 27/01/17
CsSnI3 COD 4117956 Pnma (62) ✔ 20 176 2 1.8777 1.938 0.000 (0;000) ✗ 22/03/17
BaO COD 1011362 Fm-3m (225) ✔ 2 16 1 1.8783 1.878 0.000 (0;000) ✗ 05/01/17
Na5InO4 ICSD 69630 Pmmn (59) ✔ 20 164 1 1.8792 1.879 0.000 (0;000) ✗ 02/02/17
P3BrCl14 ICSD 80214 I4 (79) ✗ 18 120 1 1.8798 1.958 0.000 (0;000) ✗ 21/03/17
Cs2TeBr6 ICSD 65058 Fm-3m (225) ✔ 9 66 2 1.8801 2.124 0.000 (0;000) ✗ 02/02/17
CaSe COD 9008607 Fm-3m (225) ✔ 2 16 1 1.8801 2.837 0.000 (0;000) ✗ 27/01/17
GaBiO3 COD 4002370 Pcca (54) ✔ 20 184 3 1.8816 1.936 0.000 (0;000) ✗ 02/02/17
Ba4Na(SbO4)3 COD 2001366 Im-3m (229) ✔ 20 136 3 1.8829 1.962 0.000 (0;000) ✗ 02/02/17
Hg2TeBr3 ICSD 417407 P2_1/c (14) ✔ 24 204 3 1.8832 1.912 0.000 (0;000) ✗ 04/08/17
Cs2Hg3S4 COD 4002165 Ibam (72) ✔ 18 156 2 1.8841 1.884 0.000 (0;000) ✗ 22/03/17
Hg2MoO4 ICSD 90084 C2/c (15) ✔ 14 124 3 1.8857 2.248 0.000 (0;000) ✗ 02/02/17
AlP ICSD 190421 P6_3mc (186) ✗ 4 16 3 1.8868 2.426 0.000 (0;000) ✗ 06/10/16
RbCu2I3 ICSD 65250 Cmcm (63) ✔ 12 104 1 1.8872 1.887 0.000 (0;000) ✗ 02/02/17
RbCa2Nb3O10 ICSD 260289 P4/mmm (123) ✔ 16 128 2 1.8878 2.242 0.000 (0;000) ✗ 02/02/17
Ag2W2O7 COD 4027815 P-1 (2) ✔ 22 240 3 1.888 1.951 0.000 (0;000) ✗ 08/08/17
HgBr COD 9014145 I4/mmm (139) ✔ 4 38 3 1.8884 2.563 0.000 (0;000) ✗ 27/01/17
Ga2S3 COD 8101056 Cc (9) ✗ 10 88 3 1.8887 1.889 0.000 (0;000) ✗ 22/03/17
Ga2O3 COD 1010583 R-3c (167) ✔ 10 88 3 1.8896 1.890 0.000 (0;000) ✗ 27/01/17
ZnGeN2 COD 1528213 Pna2_1 (33) ✗ 16 104 3 1.8898 1.890 0.000 (0;000) ✗ 15/02/17
TiO2 COD 1511015 P4_2/mnm (136) ✔ 6 48 3 1.8907 1.891 0.000 (0;000) ✗ 27/01/17
Rb2NaRhF6 ICSD 27341 Fm-3m (225) ✔ 10 86 1 1.8935 1.894 0.000 (0;000) ✗ 27/01/17
CsAuCl4 ICSD 423233 C2/c (15) ✔ 12 96 1 1.8939 1.944 0.000 (0;000) ✗ 30/01/17
CdI2 COD 8103505 P-3m1 (164) ✔ 24 208 1 1.8942 2.124 0.000 (0;000) ✗ 04/08/17
SbSCl9 ICSD 72391 C2/m (12) ✔ 22 148 1 1.8944 1.931 0.000 (0;000) ✗ 04/08/17
Sr2BrN COD 1528372 R-3m (166) ✔ 4 32 1 1.8948 1.895 0.000 (0;000) ✗ 27/01/17
BrCl ICSD 424850 Cmc2_1 (36) ✗ 4 28 1 1.895 1.911 0.000 (0;000) ✗ 06/10/16
KTeOF3 ICSD 201155 P2_1 (4) ✗ 12 84 1 1.8951 2.024 0.000 (0;000) ✗ 22/03/17
PI3 ICSD 311 P2_1 (4) ✗ 8 52 1 1.8955 1.899 0.000 (0;000) ✗ 06/10/16
KICl4 COD 1010442 P2_1/c (14) ✔ 24 176 1 1.8961 1.910 0.000 (0;000) ✗ 04/08/17
CdI2 ICSD 9194 P3m1 (156) ✗ 24 208 1 1.8969 2.099 0.000 (0;000) ✗ 04/08/17
VAgO3 COD 1509498 C2/c (15) ✔ 20 168 3 1.898 1.899 0.000 (0;000) ✗ 30/01/17
KAuS COD 1510204 Cmcm (63) ✔ 6 52 1 1.8981 2.104 0.000 (0;000) ✗ 05/01/17
Mg3Si2(H2O3)3 COD 9001778 P31m (157) ✗ 20 98 2 1.899 2.582 0.000 (0;000) ✗ 15/02/17
Zn(AuF4)2 COD 1510406 P2_1/c (14) ✔ 22 180 3 1.8997 1.965 0.000 (0;000) ✗ 04/08/17
Li4CO4 ICSD 245389 R3m (160) ✗ 9 40 1 1.9001 1.995 0.000 (0;000) ✗ 06/10/16
SeN COD 2310337 C2/c (15) ✔ 16 88 1 1.9008 1.974 0.000 (0;000) ✗ 02/02/17
BaC2 ICSD 88102 C2/c (15) ✔ 6 36 1 1.9008 2.015 0.000 (0;000) ✗ 27/01/17
K2CuBr3 ICSD 150293 Pnma (62) ✔ 24 200 1 1.9025 1.903 0.000 (0;000) ✗ 04/08/17
CsCu2I3 ICSD 150305 Cmcm (63) ✔ 12 104 1 1.9026 1.903 0.000 (0;000) ✗ 02/02/17
RbCu2I3 ICSD 150307 Pnma (62) ✔ 24 208 1 1.9039 1.904 0.000 (0;000) ✗ 04/08/17
Na4W(NO)2 ICSD 73101 P-1 (2) ✔ 18 172 1 1.9041 1.976 0.000 (0;000) ✗ 11/04/17
GaN ICSD 156260 F-43m (216) ✗ 2 18 3 1.9043 1.904 0.000 (0;000) ✗ 06/10/16
AlCuO2 ICSD 188313 R-3m (166) ✔ 4 26 3 1.9048 2.661 0.000 (0;000) ✗ 05/01/17
KNa2BN2 ICSD 236557 I4/mmm (139) ✔ 6 40 1 1.9048 2.280 0.000 (0;000) ✗ 05/01/17
CdI2 ICSD 108919 P3m1 (156) ✗ 24 208 1 1.9051 2.100 0.000 (0;000) ✗ 04/08/17
K4PbO4 ICSD 37268 P-1 (2) ✔ 18 148 1 1.908 1.929 0.000 (0;000) ✗ 02/02/17
ReNClF5 ICSD 33542 P2_1/m (11) ✔ 16 124 1 1.9084 1.916 0.000 (0;000) ✗ 02/02/17
Cd2SiO4 ICSD 50531 Fddd (70) ✔ 14 104 3 1.9093 2.013 0.000 (0;000) ✗ 27/01/17
Ba2LiReN4 ICSD 411453 P2_1/m (11) ✔ 16 116 1 1.9097 1.910 0.000 (0;000) ✗ 02/02/17
SrTiO3 COD 9006864 Pm-3m (221) ✔ 5 40 3 1.9101 2.241 0.000 (0;000) ✗ 27/01/17
BaSn2(HO2)2 ICSD 37115 P2_1 (4) ✗ 18 128 1 1.9107 2.108 0.000 (0;000) ✗ 21/03/17
Na3VS3O COD 2203124 Cmc2_1 (36) ✗ 16 128 1 1.9108 1.947 0.000 (0;000) ✗ 29/03/17
CdI2 ICSD 20745 P-3m1 (164) ✔ 9 78 1 1.9108 2.098 0.000 (0;000) ✗ 02/02/17
BaPd(IO3)4 COD 4316840 P1 (1) ✗ 18 128 1 1.911 1.964 0.000 (0;000) ✗ 21/03/17
Sr4Ti3O10 ICSD 34630 I4/mmm (139) ✔ 17 136 2 1.9115 2.185 0.000 (0;000) ✗ 11/04/17
Cd(AuF4)2 COD 1510373 P4/mcc (124) ✔ 22 180 3 1.9123 1.912 0.000 (0;000) ✗ 07/08/17
Sr2LiReN4 ICSD 411454 P2_1/m (11) ✔ 16 116 1 1.9125 1.944 0.000 (0;000) ✗ 02/02/17
NaSb(PS3)2 ICSD 155270 P2_1 (4) ✗ 20 120 2 1.9131 2.022 0.000 (0;000) ✗ 29/03/17
ReCl3O2 ICSD 416056 Pnnm (58) ✔ 24 192 1 1.9138 1.935 0.000 (0;000) ✗ 04/08/17
Hg2P2S7 ICSD 2490 C2 (5) ✗ 11 76 3 1.9144 2.191 0.000 (0;000) ✗ 06/10/16
Na4SnO3 ICSD 49624 Cc (9) ✗ 16 136 1 1.9151 2.076 0.000 (0;000) ✗ 29/03/17
CuAsPbO4 ICSD 61677 P-1 (2) ✔ 14 108 3 1.9156 1.998 0.000 (0;000) ✗ 30/01/17
CdI2 ICSD 38116 P6_3mc (186) ✗ 6 52 2 1.9181 2.127 0.000 (0;000) ✗ 06/10/16
NaInS2 ICSD 640037 R-3m (166) ✔ 4 34 2 1.9197 2.109 0.000 (0;000) ✗ 27/01/17
Ge3N4 ICSD 97568 Fd-3m (227) ✔ 14 64 3 1.9214 1.958 0.000 (0;000) ✗ 27/01/17
Zn2BrN ICSD 425736 Pna2_1 (33) ✗ 16 144 3 1.9216 1.922 0.000 (0;000) ✗ 21/03/17
Sr(GaSe2)2 ICSD 635400 Cccm (66) ✔ 14 120 1 1.9224 2.034 0.000 (0;000) ✗ 02/02/17
K5Au(IO)2 ICSD 40376 Pbam (55) ✔ 20 164 1 1.9228 1.959 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 42216 P3m1 (156) ✗ 24 208 1 1.9233 2.148 0.000 (0;000) ✗ 04/08/17
CsC3(SeN)3 ICSD 4101 C2/c (15) ✔ 20 108 1 1.9235 2.016 0.000 (0;000) ✗ 02/02/17
VHgO3 ICSD 82242 P-1 (2) ✔ 10 86 3 1.9245 2.124 0.000 (0;000) ✗ 27/01/17
Ta2Cd2O7 COD 9009946 Fd-3m (227) ✔ 22 184 3 1.9246 2.334 0.000 (0;000) ✗ 07/08/17
Cs2HfI6 COD 1530776 Fm-3m (225) ✔ 9 72 1 1.9255 1.926 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 42200 P3m1 (156) ✗ 24 208 1 1.9257 2.155 0.000 (0;000) ✗ 04/08/17
AgAuF4 COD 4331391 I4/mcm (140) ✔ 12 100 3 1.9268 1.932 0.000 (0;000) ✗ 05/01/17
CsSr2Ta3O10 ICSD 93677 P4/mmm (123) ✔ 16 128 2 1.927 2.311 0.000 (0;000) ✗ 02/02/17
Nb2SnO6 COD 9004194 C2/c (15) ✔ 18 152 3 1.9288 1.948 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 42283 P3m1 (156) ✗ 24 208 1 1.9296 2.144 0.000 (0;000) ✗ 04/08/17
KSbO3 ICSD 77333 Fd-3m (227) ✔ 20 128 3 1.9306 2.142 0.000 (0;000) ✗ 02/02/17
AlCuS2 ICSD 165738 I-42d (122) ✗ 8 52 3 1.9307 1.931 0.000 (0;000) ✗ 07/10/16
NbBr3O ICSD 418089 P-42_1m (113) ✗ 20 160 2 1.931 1.932 0.000 (0;000) ✗ 21/03/17
Ti3H2O7 COD 4336945 C2/m (12) ✔ 24 160 3 1.9314 1.964 0.000 (0;000) ✗ 04/08/17
GaI3 ICSD 413457 P2_1/c (14) ✔ 16 136 1 1.9315 1.958 0.000 (0;000) ✗ 02/02/17
CsAg2I3 COD 2310071 Pnma (62) ✔ 24 208 1 1.9316 1.932 0.000 (0;000) ✗ 08/08/17
Zn(GaS2)2 ICSD 635300 P-42m (111) ✗ 7 62 3 1.9326 1.933 0.000 (0;000) ✗ 07/10/16
CdI2 COD 2106204 P3m1 (156) ✗ 24 208 1 1.9332 2.153 0.000 (0;000) ✗ 04/08/17
CsPS3 ICSD 33277 Immm (71) ✔ 10 64 1 1.9334 1.954 0.000 (0;000) ✗ 02/02/17
KNa2AuO2 ICSD 61226 Pnnm (58) ✔ 12 100 1 1.9334 1.963 0.000 (0;000) ✗ 02/02/17
CdHgC4(SN)4 ICSD 4102 I-4 (82) ✗ 14 84 3 1.9335 1.934 0.000 (0;000) ✗ 21/03/17
CsGaSe3 COD 1533091 P2_1/c (14) ✔ 20 160 1 1.9338 2.031 0.000 (0;000) ✗ 02/02/17
Ca3ZnSe4 ICSD 167833 P-43m (215) ✗ 8 66 1 1.9339 2.000 0.000 (0;000) ✗ 06/10/16
BaTiO3 ICSD 186460 C2mm (38) ✗ 5 40 3 1.9349 2.048 0.000 (0;000) ✗ 06/10/16
CdI2 ICSD 42201 P6_3mc (186) ✗ 24 208 1 1.9355 2.158 0.000 (0;000) ✗ 04/08/17
Bi2WO6 COD 1528731 C2/m (12) ✔ 18 188 3 1.9362 2.313 0.000 (0;000) ✗ 11/04/17
CdI2 ICSD 42211 P3m1 (156) ✗ 21 182 1 1.9371 2.162 0.000 (0;000) ✗ 07/08/17
CdI2 ICSD 108921 P3m1 (156) ✗ 24 208 1 1.9384 2.162 0.000 (0;000) ✗ 04/08/17
Mg(InS2)2 COD 9012321 Fd-3m (227) ✔ 14 120 3 1.9394 1.939 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 42255 P3m1 (156) ✗ 18 156 1 1.9404 2.159 0.000 (0;000) ✗ 22/03/17
Ca2Ta2O7 COD 9009944 Fd-3m (227) ✔ 22 176 3 1.9414 1.941 0.000 (0;000) ✗ 07/08/17
Al2CdSe4 ICSD 51422 I-4 (82) ✗ 7 42 3 1.9423 1.942 0.000 (0;000) ✗ 06/10/16
NaClO3 COD 1010513 P2_13 (198) ✗ 20 136 1 1.9432 2.031 0.000 (0;000) ✗ 22/03/17
K2LiAlP2 ICSD 77275 Ibam (72) ✔ 12 68 1 1.9439 2.255 0.000 (0;000) ✗ 30/01/17
ZnPS3 ICSD 648084 C2/m (12) ✔ 10 70 2 1.9444 2.418 0.000 (0;000) ✗ 27/01/17
CdI2 ICSD 49572 P3m1 (156) ✗ 24 208 1 1.9452 2.156 0.000 (0;000) ✗ 04/08/17
KTlBr4 ICSD 35418 Pnna (52) ✔ 24 200 1 1.9455 1.946 0.000 (0;000) ✗ 04/08/17
SrC2 COD 1522125 I4/mmm (139) ✔ 3 18 1 1.9456 2.680 0.000 (0;000) ✗ 27/01/17
GaN COD 9008868 P6_3mc (186) ✗ 4 36 3 1.9472 1.947 0.000 (0;000) ✗ 15/02/17
Y2NCl3 ICSD 65829 C2/m (12) ✔ 12 96 3 1.9476 2.458 0.000 (0;000) ✗ 02/02/17
RbCdAuS2 ICSD 85582 Pcca (54) ✔ 20 176 2 1.9477 2.222 0.000 (0;000) ✗ 21/03/17
KSbO2 ICSD 411214 C2/c (15) ✔ 8 52 1 1.9478 1.951 0.000 (0;000) ✗ 27/01/17
Na2Se COD 9009065 Fm-3m (225) ✔ 3 24 1 1.9482 1.948 0.000 (0;000) ✗ 27/01/17
CdI2 ICSD 42209 P3m1 (156) ✗ 15 130 1 1.9483 2.182 0.000 (0;000) ✗ 22/03/17
H2C5SN COD 7200215 P-1 (2) ✔ 18 66 1 1.9486 2.273 0.000 (0;000) ✗ 02/02/17
Ga2TeS2 ICSD 8028 I4_1md (109) ✗ 10 88 3 1.9488 1.980 0.000 (0;000) ✗ 22/03/17
CdI2 COD 8103504 P3m1 (156) ✗ 21 182 1 1.9491 2.170 0.000 (0;000) ✗ 07/08/17
Na2PSe3 ICSD 415240 Cmce (64) ✔ 24 164 1 1.9493 2.108 0.000 (0;000) ✗ 04/08/17
ScAg(PS3)2 ICSD 63273 P-31c (163) ✔ 20 136 2 1.9499 1.955 0.000 (0;000) ✗ 30/01/17
PPbS3 ICSD 647906 P2_1/c (14) ✔ 20 148 3 1.9505 1.962 0.000 (0;000) ✗ 02/02/17
SiC ICSD 24168 R3m (160) ✗ 10 40 3 1.9506 3.262 0.000 (0;000) ✗ 06/10/16
AsI3 ICSD 23003 R-3 (148) ✔ 8 52 1 1.9506 2.019 0.000 (0;000) ✗ 06/10/16
NaLiTe ICSD 67274 Pnma (62) ✔ 12 72 1 1.9514 1.951 0.000 (0;000) ✗ 02/02/17
K2TeBr6 ICSD 65118 Fm-3m (225) ✔ 9 66 2 1.952 2.209 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 9190 P-3m1 (164) ✔ 12 104 1 1.9523 2.170 0.000 (0;000) ✗ 02/02/17
CsAg2I3 ICSD 150308 Pnma (62) ✔ 24 208 1 1.9533 1.953 0.000 (0;000) ✗ 08/08/17
CdI2 ICSD 108925 P3m1 (156) ✗ 21 182 1 1.9537 2.171 0.000 (0;000) ✗ 07/08/17
TaNO COD 1525454 P2_1/c (14) ✔ 12 96 3 1.9538 2.162 0.000 (0;000) ✗ 27/01/17
Hg3Se4O5 COD 7005928 P-1 (2) ✔ 24 180 3 1.9543 2.141 0.000 (0;000) ✗ 04/08/17
PS COD 2106562 C2/c (15) ✔ 16 88 1 1.9547 2.002 0.000 (0;000) ✗ 02/02/17
KIO3 ICSD 247719 R3 (146) ✗ 10 68 3 1.9552 1.956 0.000 (0;000) ✗ 06/10/16
S COD 9012364 C2/c (15) ✔ 20 120 1 1.9556 2.174 0.000 (0;000) ✗ 02/02/17
Pb(SeO3)2 ICSD 154718 P2_1/c (14) ✔ 18 124 3 1.9558 2.355 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 42257 P-3m1 (164) ✔ 18 156 1 1.9559 2.171 0.000 (0;000) ✗ 02/02/17
LiInSe2 ICSD 639900 Pna2_1 (33) ✗ 16 112 3 1.9573 1.958 0.000 (0;000) ✗ 29/03/17
CsNaTe ICSD 405538 P4/nmm (129) ✔ 6 48 1 1.9586 2.076 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 27291 P3m1 (156) ✗ 18 156 1 1.9604 2.172 0.000 (0;000) ✗ 22/03/17
Na4CO4 ICSD 245407 R3m (160) ✗ 9 64 2 1.9626 2.362 0.000 (0;000) ✗ 06/10/16
Cs2Sn(AuS2)2 ICSD 408685 Fddd (70) ✔ 18 156 1 1.9636 2.036 0.000 (0;000) ✗ 12/04/17
BaTiO3 ICSD 237106 Cm2m (38) ✗ 5 40 3 1.9647 2.195 0.000 (0;000) ✗ 06/10/16
BaO COD 1527735 P4/nmm (129) ✔ 4 32 3 1.9651 1.965 0.000 (0;000) ✗ 05/01/17
Cr4AgBiO14 ICSD 14234 I4 (79) ✗ 20 166 3 1.9671 1.972 0.000 (0;000) ✗ 16/03/17
CdI2 ICSD 42207 P3m1 (156) ✗ 9 78 1 1.9676 2.198 0.000 (0;000) ✗ 22/03/17
Na2O COD 9009063 Fm-3m (225) ✔ 3 24 1 1.9686 1.969 0.000 (0;000) ✗ 27/01/17
SbBr(OF3)2 COD 4305989 P2/c (13) ✔ 20 132 1 1.9693 1.994 0.000 (0;000) ✗ 02/02/17
Ba2ZnS3 ICSD 25554 Pnma (62) ✔ 24 200 1 1.9695 1.970 0.000 (0;000) ✗ 04/08/17
CdI2 ICSD 35258 P3m1 (156) ✗ 24 208 1 1.9696 2.157 0.000 (0;000) ✗ 04/08/17
RbAuF4 COD 1510144 I4/mcm (140) ✔ 12 96 1 1.9704 1.977 0.000 (0;000) ✗ 02/02/17
RbCuC2 ICSD 391118 P4/mmm (123) ✔ 4 28 1 1.9709 2.051 0.000 (0;000) ✗ 27/01/17
CdI2 ICSD 6066 P-3m1 (164) ✔ 18 156 1 1.9709 2.171 0.000 (0;000) ✗ 02/02/17
VBiPbO5 ICSD 419122 C2/m (12) ✔ 16 144 3 1.9715 2.258 0.000 (0;000) ✗ 02/02/17
K2OsNCl5 ICSD 43729 Cmc2_1 (36) ✗ 18 148 1 1.9726 1.973 0.000 (0;000) ✗ 22/03/17
Rb2TaCuSe4 ICSD 414272 Fddd (70) ✔ 16 132 1 1.9732 2.128 0.000 (0;000) ✗ 02/02/17
AsI3 COD 9008098 R-3 (148) ✔ 8 52 1 1.9735 2.033 0.000 (0;000) ✗ 30/01/17
CdI2 ICSD 30813 P3m1 (156) ✗ 21 182 1 1.9735 2.176 0.000 (0;000) ✗ 07/08/17
Hg3(SF)2 COD 1528807 I2_13 (199) ✗ 14 124 3 1.9735 2.193 0.000 (0;000) ✗ 22/03/17
CrCdO4 COD 1008085 C2/m (12) ✔ 24 200 3 1.9739 2.046 0.000 (0;000) ✗ 04/08/17
GaCuCl4 ICSD 300103 P-42c (112) ✗ 12 104 3 1.9742 2.030 0.000 (0;000) ✗ 22/03/17
Cs2HgO2 ICSD 25513 I4/mmm (139) ✔ 5 42 2 1.9742 1.974 0.000 (0;000) ✗ 27/01/17
KCBr(NO2)2 ICSD 42826 P-1 (2) ✔ 18 108 1 1.9756 2.042 0.000 (0;000) ✗ 02/02/17
K2TaCuSe4 ICSD 72427 Fddd (70) ✔ 16 132 1 1.9765 2.063 0.000 (0;000) ✗ 02/02/17
Ba2NbN3 ICSD 74906 C2/c (15) ✔ 24 192 1 1.9768 1.997 0.000 (0;000) ✗ 04/08/17
CdI2 COD 2106203 P3m1 (156) ✗ 21 182 1 1.9772 2.174 0.000 (0;000) ✗ 07/08/17
AlBiBr6 ICSD 414262 P-1 (2) ✔ 16 120 2 1.9787 1.979 0.000 (0;000) ✗ 30/01/17
CdI2 ICSD 108924 P-3m1 (164) ✔ 15 130 1 1.9801 2.176 0.000 (0;000) ✗ 02/02/17
BaTiO3 ICSD 31155 C2mm (38) ✗ 5 40 3 1.9813 2.199 0.000 (0;000) ✗ 06/10/16
TiO2 COD 9007432 P4_2/mnm (136) ✔ 6 48 3 1.9813 1.981 0.000 (0;000) ✗ 27/01/17
CdI2 ICSD 35446 P3m1 (156) ✗ 24 208 1 1.9825 2.158 0.000 (0;000) ✗ 04/08/17
CdI2 ICSD 42198 P6_3mc (186) ✗ 12 104 1 1.983 2.174 0.000 (0;000) ✗ 22/03/17
CsCu2ICl2 ICSD 60960 P2_1/m (11) ✔ 12 104 1 1.9838 1.984 0.000 (0;000) ✗ 02/02/17
KH2N ICSD 25619 P2_1/m (11) ✔ 8 32 1 1.985 1.985 0.000 (0;000) ✗ 27/01/17
CdI2 ICSD 42312 P-3m1 (164) ✔ 18 156 1 1.9865 2.173 0.000 (0;000) ✗ 02/02/17
K3GeSe3 ICSD 47112 C2/m (12) ✔ 14 98 1 1.988 2.044 0.000 (0;000) ✗ 02/02/17
Ca3(GaN2)2 COD 4323350 C2/c (15) ✔ 18 152 2 1.9889 1.989 0.000 (0;000) ✗ 02/02/17
Cs2NiF6 ICSD 44789 Fm-3m (225) ✔ 9 70 1 1.9892 2.072 0.000 (0;000) ✗ 27/01/17
AlCuO2 COD 1531583 P6_3/mmc (194) ✔ 8 52 3 1.9892 2.478 0.000 (0;000) ✗ 05/01/17
Sc2SO2 ICSD 2450 P6_3/mmc (194) ✔ 10 80 3 1.9892 2.727 0.000 (0;000) ✗ 27/01/17
CdI2 ICSD 42303 P3m1 (156) ✗ 21 182 1 1.9895 2.174 0.000 (0;000) ✗ 07/08/17
TiCdO3 COD 2310616 Pna2_1 (33) ✗ 20 168 3 1.9899 1.990 0.000 (0;000) ✗ 22/03/17
PbICl ICSD 22137 Pnma (62) ✔ 12 112 1 1.9909 2.048 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 44795 P3m1 (156) ✗ 18 156 1 1.991 2.171 0.000 (0;000) ✗ 22/03/17
CdI2 ICSD 44792 P3m1 (156) ✗ 12 104 1 1.9912 2.173 0.000 (0;000) ✗ 22/03/17
Rb2Te ICSD 55151 Ccm2_1 (36) ✗ 6 48 2 1.9925 1.993 0.000 (0;000) ✗ 06/10/16
Sr(BeN)2 ICSD 413356 I4/mcm (140) ✔ 10 56 1 1.993 2.104 0.000 (0;000) ✗ 05/01/17
CdI2 ICSD 108915 P3m1 (156) ✗ 15 130 1 1.9934 2.187 0.000 (0;000) ✗ 22/03/17
Sr2CaMoO6 ICSD 72816 Pmm2 (25) ✗ 20 160 1 1.9934 1.993 0.000 (0;000) ✗ 11/04/17
TlCl ICSD 61518 Fm-3m (225) ✔ 2 20 1 1.994 1.994 0.000 (0;000) ✗ 27/01/17
BC2N ICSD 93040 P2_122 (17) ✗ 8 32 3 1.9946 1.995 0.000 (0;000) ✗ 06/10/16
Cd4OF6 COD 4030609 P4_2/nmc (137) ✔ 22 192 3 1.9948 2.002 0.000 (0;000) ✗ 04/08/17
InI3 ICSD 23136 P2_1/c (14) ✔ 16 136 1 1.996 1.996 0.000 (0;000) ✗ 02/02/17
NaS2 ICSD 644957 I-42d (122) ✗ 24 168 1 1.9964 2.061 0.000 (0;000) ✗ 04/08/17
CdI2 ICSD 108917 P3m1 (156) ✗ 18 156 1 1.9965 2.176 0.000 (0;000) ✗ 22/03/17
K2Te COD 9009058 Fm-3m (225) ✔ 3 24 1 1.9966 2.058 0.000 (0;000) ✗ 27/01/17
SrHgO2 ICSD 165068 R-3m (166) ✔ 4 34 2 1.9967 2.621 0.000 (0;000) ✗ 27/01/17
Ta2SnO6 COD 9012818 Cc (9) ✗ 18 152 3 1.9974 2.001 0.000 (0;000) ✗ 29/03/17
RbGeI3 ICSD 85041 P2_12_12_1 (19) ✗ 20 136 2 1.9977 2.094 0.000 (0;000) ✗ 22/03/17
Na3AuO2 COD 1510250 P4_2/mnm (136) ✔ 24 200 1 1.9989 1.999 0.000 (0;000) ✗ 04/08/17
SiC ICSD 38150 P3m1 (156) ✗ 20 80 3 1.999 3.114 0.000 (0;000) ✗ 22/03/17
CdI2 ICSD 37377 P3m1 (156) ✗ 21 182 1 1.9991 2.175 0.000 (0;000) ✗ 07/08/17
RbAuCl4 COD 8103425 C2/c (15) ✔ 12 96 1 2.0009 2.007 0.000 (0;000) ✗ 30/01/17
KLi6BiO6 ICSD 72840 R-3m (166) ✔ 14 78 1 2.0022 2.002 0.000 (0;000) ✗ 05/01/17
Ba2H3Br ICSD 415127 P-3m1 (164) ✔ 6 30 1 2.0033 2.374 0.000 (0;000) ✗ 05/01/17
CdI2 ICSD 108916 P3m1 (156) ✗ 15 130 1 2.0051 2.188 0.000 (0;000) ✗ 22/03/17
CdI2 ICSD 108918 P3m1 (156) ✗ 18 156 1 2.0053 2.175 0.000 (0;000) ✗ 22/03/17
Hg3(TeCl)2 ICSD 27401 I2_13 (199) ✗ 14 124 3 2.0054 2.047 0.000 (0;000) ✗ 22/03/17
K2PdF4 ICSD 33888 C2/m (12) ✔ 7 64 1 2.0078 2.089 0.000 (0;000) ✗ 27/01/17
SrTiO3 ICSD 182248 Ic2m (46) ✗ 10 80 3 2.0079 2.008 0.000 (0;000) ✗ 06/10/16
K3MoHS4O ICSD 425985 Pmn2_1 (31) ✗ 20 144 1 2.0081 2.008 0.000 (0;000) ✗ 29/03/17
Hg3(SCl)2 COD 9011080 I2_13 (199) ✗ 14 124 3 2.0084 2.031 0.000 (0;000) ✗ 22/03/17
Rb2CuCl3 ICSD 150294 Pnma (62) ✔ 24 200 1 2.0085 2.009 0.000 (0;000) ✗ 04/08/17
K2NbCuS4 ICSD 402422 Fddd (70) ✔ 16 132 1 2.0085 2.170 0.000 (0;000) ✗ 02/02/17
NaSr4(BN2)3 ICSD 92577 Im-3m (229) ✔ 14 88 1 2.009 2.830 0.000 (0;000) ✗ 02/02/17
TlSb4F13 COD 5910319 I4/m (87) ✔ 18 124 1 2.0098 2.151 0.000 (0;000) ✗ 02/02/17
KZn4(SbO4)3 ICSD 421547 R3 (146) ✗ 20 144 3 2.0098 2.183 0.000 (0;000) ✗ 29/03/17
Li5ReN4 ICSD 92467 Pmmn (59) ✔ 20 100 1 2.0104 2.091 0.000 (0;000) ✗ 02/02/17
CsReF8 ICSD 410829 P4/nmm (129) ✔ 20 160 1 2.0109 2.046 0.000 (0;000) ✗ 02/02/17
SbI3 ICSD 30906 P2_1/c (14) ✔ 16 104 1 2.0113 2.049 0.000 (0;000) ✗ 02/02/17
SiC COD 9010158 P6_3mc (186) ✗ 12 48 3 2.0119 3.126 0.000 (0;000) ✗ 15/02/17
ZrPbO3 ICSD 39607 C2mm (38) ✗ 5 36 3 2.0123 2.012 0.000 (0;000) ✗ 06/10/16
Cd(GaS2)2 ICSD 619875 I-4 (82) ✗ 7 62 3 2.0132 2.015 0.000 (0;000) ✗ 06/10/16
Na2CdSnS4 COD 7011307 C2 (5) ✗ 8 68 3 2.0139 2.014 0.000 (0;000) ✗ 22/03/17
Hg3(SeCl)2 ICSD 27400 I2_13 (199) ✗ 14 124 3 2.016 2.044 0.000 (0;000) ✗ 22/03/17
SCl2 ICSD 38351 P2_12_12_1 (19) ✗ 24 160 1 2.017 2.049 0.000 (0;000) ✗ 04/08/17
Ba3SrTa2O9 ICSD 27496 P-3m1 (164) ✔ 15 120 3 2.018 2.069 0.000 (0;000) ✗ 02/02/17
Sr2InSbO6 ICSD 154032 P2_1/c (14) ✔ 20 148 3 2.0189 2.019 0.000 (0;000) ✗ 02/02/17
Na3SbO4 COD 1525240 P2/c (13) ✔ 16 112 1 2.0196 2.020 0.000 (0;000) ✗ 27/01/17
Ba2TaN3 ICSD 74503 C2/c (15) ✔ 24 192 1 2.0204 2.027 0.000 (0;000) ✗ 04/08/17
CdCN2 ICSD 95265 R3m (160) ✗ 4 26 3 2.021 2.021 0.000 (0;000) ✗ 06/10/16
Ga2HgS4 ICSD 189741 I-4 (82) ✗ 7 62 3 2.0214 2.021 0.000 (0;000) ✗ 06/10/16
TaAgO3 ICSD 40830 R3c (161) ✗ 10 84 3 2.0218 2.039 0.000 (0;000) ✗ 06/10/16
KAgF4 COD 1509325 I4/mcm (140) ✔ 12 96 1 2.0219 2.072 0.000 (0;000) ✗ 05/01/17
KNaSe ICSD 67278 Pnma (62) ✔ 12 96 1 2.022 2.022 0.000 (0;000) ✗ 02/02/17
Ba2ZnS3 COD 4327809 Pnma (62) ✔ 24 200 1 2.0228 2.023 0.000 (0;000) ✗ 04/08/17
Cd3PCl3 COD 1001626 P-3 (147) ✔ 14 124 3 2.0234 2.170 0.000 (0;000) ✗ 02/02/17
NaV(OF)2 COD 1000373 P2_1 (4) ✗ 12 96 1 2.0236 2.570 0.000 (0;000) ✗ 15/02/17
BiN9 COD 4334925 P-1 (2) ✔ 20 120 2 2.0245 2.090 0.000 (0;000) ✗ 02/02/17
Cd(GaS2)2 ICSD 31354 I-4 (82) ✗ 7 62 3 2.0248 2.027 0.000 (0;000) ✗ 06/10/16
BiBr3 COD 8103606 C2/m (12) ✔ 8 72 2 2.0253 2.057 0.000 (0;000) ✗ 02/02/17
BiBr3 ICSD 100294 C2/m (12) ✔ 8 72 2 2.0254 2.057 0.000 (0;000) ✗ 06/10/16
SiCl2 ICSD 85526 P2_12_12_1 (19) ✗ 12 72 1 2.0261 2.091 0.000 (0;000) ✗ 22/03/17
RbAu(SO4)2 ICSD 412095 P-1 (2) ✔ 12 80 1 2.0264 2.159 0.000 (0;000) ✗ 05/01/17
Rb2NbCuS4 ICSD 84304 Fddd (70) ✔ 16 132 1 2.0266 2.249 0.000 (0;000) ✗ 02/02/17
Sb2PbO6 COD 1530091 P-31m (162) ✔ 9 60 3 2.031 2.416 0.000 (0;000) ✗ 27/01/17
Cd(GaS2)2 ICSD 106362 I-4 (82) ✗ 7 62 3 2.0324 2.034 0.000 (0;000) ✗ 06/10/16
CaTiO3 COD 1011211 Pm-3m (221) ✔ 5 40 3 2.033 2.432 0.000 (0;000) ✗ 27/01/17
Cs2SiSe4 COD 8102891 C2/m (12) ✔ 14 92 1 2.0342 2.048 0.000 (0;000) ✗ 02/02/17
Ba2InBrO3 ICSD 81878 P4/nmm (129) ✔ 14 116 2 2.0352 2.422 0.000 (0;000) ✗ 02/02/17
AuBrF6 COD 1510611 P2_1 (4) ✗ 16 120 1 2.0362 2.037 0.000 (0;000) ✗ 21/03/17
Ag2S2O7 ICSD 423166 P-1 (2) ✔ 22 152 3 2.0364 2.313 0.000 (0;000) ✗ 04/08/17
RbNa2AuO2 ICSD 411460 Pnnm (58) ✔ 12 100 1 2.0377 2.050 0.000 (0;000) ✗ 02/02/17
SrSe COD 9008729 Fm-3m (225) ✔ 2 16 1 2.0378 2.617 0.000 (0;000) ✗ 27/01/17
Ag2MoO4 COD 7222296 Fd-3m (227) ✔ 14 120 3 2.0383 2.038 0.000 (0;000) ✗ 30/01/17
MgTe ICSD 159402 F-43m (216) ✗ 2 16 3 2.0409 2.041 0.000 (0;000) ✗ 06/10/16
RbBiO2 ICSD 407208 C2/c (15) ✔ 8 72 1 2.0422 2.042 0.000 (0;000) ✗ 05/01/17
CaTiO3 ICSD 162922 I4/mcm (140) ✔ 10 80 3 2.0423 2.048 0.000 (0;000) ✗ 27/01/17
PCl5 ICSD 76731 C2/m (12) ✔ 18 120 1 2.0426 2.128 0.000 (0;000) ✗ 02/02/17
Na4Mo(NO)2 ICSD 73102 P-1 (2) ✔ 18 144 1 2.0429 2.120 0.000 (0;000) ✗ 02/02/17
Ca2RuH6 ICSD 656082 Fm-3m (225) ✔ 9 42 2 2.043 2.043 0.000 (0;000) ✗ 27/01/17
Cs2KRhF6 ICSD 4056 Fm-3m (225) ✔ 10 86 1 2.0433 2.043 0.000 (0;000) ✗ 27/01/17
HgPb2(ClO)2 ICSD 74973 C2/m (12) ✔ 7 66 2 2.0457 2.198 0.000 (0;000) ✗ 27/01/17
Ba3MgNb2O9 ICSD 95406 P-3m1 (164) ✔ 15 120 3 2.0458 2.122 0.000 (0;000) ✗ 02/02/17
Ba2TaBiO6 ICSD 154150 Fm-3m (225) ✔ 10 84 3 2.0464 2.046 0.000 (0;000) ✗ 05/01/17
Ba4Li(SbO4)3 ICSD 202200 Im-3m (229) ✔ 20 130 3 2.0478 2.129 0.000 (0;000) ✗ 02/02/17
YSeF COD 2106573 P2_1/m (11) ✔ 24 192 3 2.0509 2.061 0.000 (0;000) ✗ 04/08/17
Na3N ICSD 165994 Fm-3m (225) ✔ 4 32 3 2.0516 2.052 0.000 (0;000) ✗ 27/01/17
SiH ICSD 41478 P-3m1 (164) ✔ 4 10 2 2.0532 2.092 0.000 (0;000) ✗ 27/01/17
GaTeCl COD 7221395 Pnnm (58) ✔ 12 104 2 2.0533 2.053 0.000 (0;000) ✗ 02/02/17
K2CuCl3 ICSD 150292 Pnma (62) ✔ 24 200 1 2.0536 2.054 0.000 (0;000) ✗ 04/08/17
Na2O2 COD 9008988 P-62m (189) ✗ 12 90 1 2.0545 2.447 0.000 (0;000) ✗ 15/02/17
Hg2WO4 ICSD 90085 C2/c (15) ✔ 14 152 3 2.0554 2.398 0.000 (0;000) ✗ 11/04/17
CdInBr3 ICSD 79512 Pnma (62) ✔ 20 184 2 2.0556 2.245 0.000 (0;000) ✗ 02/02/17
MgTe ICSD 168348 P6_3mc (186) ✗ 4 32 3 2.059 2.059 0.000 (0;000) ✗ 06/10/16
KCuC2 ICSD 412038 P4_2/mmc (131) ✔ 8 56 2 2.0604 2.060 0.000 (0;000) ✗ 27/01/17
CsAgBr2 COD 1509157 Cmcm (63) ✔ 8 68 2 2.0615 2.492 0.000 (0;000) ✗ 30/01/17
ZnS ICSD 108733 F-43m (216) ✗ 2 18 3 2.0623 2.062 0.000 (0;000) ✗ 06/10/16
CsCaH3 ICSD 619213 Pnma (62) ✔ 20 88 1 2.0624 2.062 0.000 (0;000) ✗ 02/02/17
BaTiO3 ICSD 73639 C2mm (38) ✗ 5 40 3 2.0626 2.325 0.000 (0;000) ✗ 06/10/16
NaPS3 ICSD 426906 P2_1/m (11) ✔ 20 128 1 2.0626 2.123 0.000 (0;000) ✗ 02/02/17
K2Se COD 9009057 Fm-3m (225) ✔ 3 24 1 2.0628 2.195 0.000 (0;000) ✗ 27/01/17
Zn2NCl ICSD 425734 Pna2_1 (33) ✗ 16 144 3 2.0638 2.072 0.000 (0;000) ✗ 22/03/17
Cd(GaS2)2 ICSD 184995 I-4 (82) ✗ 7 62 3 2.0642 2.066 0.000 (0;000) ✗ 06/10/16
Ba4Na(BN2)3 ICSD 401210 Im-3m (229) ✔ 14 88 1 2.0643 2.504 0.000 (0;000) ✗ 02/02/17
CsAu2F7 ICSD 152057 C2/c (15) ✔ 20 160 1 2.0658 2.094 0.000 (0;000) ✗ 21/03/17
Y3GaS6 ICSD 635286 Cmc2_1 (36) ✗ 20 164 3 2.0661 2.268 0.000 (0;000) ✗ 22/03/17
K3AuSe2 COD 8103427 R-3c (167) ✔ 12 100 1 2.0665 2.145 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 44791 P-3m1 (164) ✔ 3 26 2 2.0667 2.319 0.000 (0;000) ✗ 22/03/17
Na5InS4 ICSD 300175 P2_1/m (11) ✔ 20 164 1 2.067 2.067 0.000 (0;000) ✗ 02/02/17
RbCuC2 ICSD 412039 P4_2/mmc (131) ✔ 8 56 2 2.067 2.067 0.000 (0;000) ✗ 02/02/17
Cd(HO)2 ICSD 165224 P-3m1 (164) ✔ 5 26 2 2.0673 2.296 0.000 (0;000) ✗ 27/01/17
BC2N ICSD 191797 Pmm2 (25) ✗ 4 16 3 2.0673 2.222 0.000 (0;000) ✗ 06/10/16
SbCl(OF3)2 COD 4305990 P2/c (13) ✔ 20 132 1 2.0676 2.082 0.000 (0;000) ✗ 02/02/17
Na4Br2O ICSD 67283 I4/mmm (139) ✔ 7 56 1 2.068 2.068 0.000 (0;000) ✗ 27/01/17
KRb2RhF6 ICSD 27339 Fm-3m (225) ✔ 10 86 3 2.069 2.069 0.000 (0;000) ✗ 27/01/17
K2TiCl6 ICSD 26934 Fm-3m (225) ✔ 9 72 1 2.069 2.082 0.000 (0;000) ✗ 02/02/17
BaTiO3 ICSD 186461 R3m (160) ✗ 5 40 3 2.0696 2.225 0.000 (0;000) ✗ 06/10/16
LiInI4 ICSD 36599 P2_1/c (14) ✔ 24 176 1 2.0709 2.071 0.000 (0;000) ✗ 04/08/17
Cd2As2O7 COD 9007896 C2/m (12) ✔ 11 76 3 2.0721 2.542 0.000 (0;000) ✗ 05/01/17
Cs3ClO ICSD 401664 Pnma (62) ✔ 20 160 2 2.0723 2.076 0.000 (0;000) ✗ 22/03/17
Li4HN COD 8100739 I4_1/a (88) ✔ 12 36 1 2.0734 2.437 0.000 (0;000) ✗ 27/01/17
CsYZnSe3 COD 4317677 Cmcm (63) ✔ 12 100 1 2.0743 2.093 0.000 (0;000) ✗ 02/02/17
K2Mo(SO)2 ICSD 423986 C2/c (15) ✔ 14 112 1 2.0758 2.280 0.000 (0;000) ✗ 02/02/17
ZnS ICSD 15740 P3m1 (156) ✗ 20 180 3 2.0771 2.077 0.000 (0;000) ✗ 29/03/17
Rb2S COD 2104952 Pnma (62) ✔ 12 96 1 2.0772 2.086 0.000 (0;000) ✗ 02/02/17
Cs2Se ICSD 627099 Pnma (62) ✔ 12 96 1 2.0773 2.077 0.000 (0;000) ✗ 02/02/17
KBr ICSD 290557 Pm-3m (221) ✔ 2 16 3 2.0789 2.113 0.000 (0;000) ✗ 27/01/17
NaYSe2 ICSD 645037 R-3m (166) ✔ 4 32 2 2.0793 2.766 0.000 (0;000) ✗ 27/01/17
AgNO3 ICSD 35157 R3m (160) ✗ 5 34 3 2.0793 2.425 0.000 (0;000) ✗ 06/10/16
ScCuO2 ICSD 65547 R-3m (166) ✔ 4 34 3 2.0799 2.080 0.000 (0;000) ✗ 27/01/17
AlAgS2 ICSD 28744 I-42d (122) ✗ 8 52 3 2.0803 2.120 0.000 (0;000) ✗ 07/10/16
NaAg(NO2)2 ICSD 20926 F222 (22) ✗ 16 108 3 2.0809 2.096 0.000 (0;000) ✗ 16/03/17
ZnS ICSD 107133 P3m1 (156) ✗ 16 144 3 2.0809 2.081 0.000 (0;000) ✗ 29/03/17
Ti4Bi2O11 COD 2101260 C2/m (12) ✔ 17 144 3 2.0813 2.516 0.000 (0;000) ✗ 21/03/17
HgB4O7 COD 7209503 Pmn2_1 (31) ✗ 24 132 3 2.0827 2.216 0.000 (0;000) ✗ 04/08/17
AgCSN COD 8100412 C2/c (15) ✔ 16 104 3 2.0827 2.362 0.000 (0;000) ✗ 02/02/17
KNbO3 ICSD 9533 C2mm (38) ✗ 5 40 3 2.0831 2.916 0.000 (0;000) ✗ 06/10/16
Al2CdSe4 ICSD 174192 I-4 (82) ✗ 7 42 3 2.0835 2.084 0.000 (0;000) ✗ 06/10/16
SbCl3F2 COD 4031372 I4 (79) ✗ 24 160 1 2.0855 2.122 0.000 (0;000) ✗ 04/08/17
MgPSe3 ICSD 642731 R-3 (148) ✔ 10 66 2 2.0858 2.086 0.000 (0;000) ✗ 02/02/17
BaTiO3 ICSD 73640 C2mm (38) ✗ 5 40 3 2.0864 2.362 0.000 (0;000) ✗ 06/10/16
ZnS COD 9000085 P6_3mc (186) ✗ 20 180 3 2.0884 2.088 0.000 (0;000) ✗ 29/03/17
CaMg2N2 ICSD 79123 P-3m1 (164) ✔ 5 40 2 2.0892 2.089 0.000 (0;000) ✗ 27/01/17
KTaO3 COD 5910018 Pm-3m (221) ✔ 5 40 3 2.0924 2.703 0.000 (0;000) ✗ 27/01/17
HfNCl ICSD 261539 R-3m (166) ✔ 6 48 2 2.0932 2.412 0.000 (0;000) ✗ 27/01/17
Sr3Ti2O7 COD 1530317 I4/mmm (139) ✔ 12 96 2 2.0934 2.339 0.000 (0;000) ✗ 29/03/17
Rb2Ag2GeS4 ICSD 237456 C2/c (15) ✔ 18 136 1 2.0937 2.162 0.000 (0;000) ✗ 30/01/17
BiPO4 ICSD 27469 P2_1 (4) ✗ 12 68 3 2.0944 2.399 0.000 (0;000) ✗ 06/10/16
KNbO3 ICSD 14363 C2mm (38) ✗ 5 40 3 2.0944 2.921 0.000 (0;000) ✗ 06/10/16
Te2SO7 ICSD 28468 Pmn2_1 (31) ✗ 20 120 3 2.0951 2.120 0.000 (0;000) ✗ 29/03/17
SBr ICSD 37020 Cc2e (41) ✗ 8 52 1 2.0962 2.254 0.000 (0;000) ✗ 06/10/16
Ba2MgTeO6 ICSD 191563 Fm-3m (225) ✔ 10 72 3 2.0974 2.097 0.000 (0;000) ✗ 05/01/17
RuC3Br2O3 ICSD 48158 C2/m (12) ✔ 18 120 1 2.0975 2.155 0.000 (0;000) ✗ 02/02/17
Li2CdSnS4 COD 4302974 Pmn2_1 (31) ✗ 16 112 2 2.0977 2.098 0.000 (0;000) ✗ 22/03/17
Sr4Li(BN2)3 ICSD 402173 Im-3m (229) ✔ 14 82 1 2.0978 2.998 0.000 (0;000) ✗ 02/02/17
BaS COD 9008600 Fm-3m (225) ✔ 2 16 1 2.0979 2.188 0.000 (0;000) ✗ 05/01/17
ZnS ICSD 107134 P3m1 (156) ✗ 16 144 3 2.1006 2.101 0.000 (0;000) ✗ 29/03/17
ZnS COD 9000086 P6_3mc (186) ✗ 16 144 3 2.1007 2.101 0.000 (0;000) ✗ 29/03/17
Ba2InClO3 ICSD 81877 P4/nmm (129) ✔ 14 116 1 2.1009 2.590 0.000 (0;000) ✗ 02/02/17
GePb3O5 COD 9008276 P2_1 (4) ✗ 18 152 3 2.1034 2.107 0.000 (0;000) ✗ 22/03/17
PbCl4 COD 9007926 C2/c (15) ✔ 10 84 1 2.1044 2.104 0.000 (0;000) ✗ 02/02/17
VPO5 ICSD 425536 P4/n (85) ✔ 14 96 3 2.1052 2.158 0.000 (0;000) ✗ 27/01/17
Sr3BPO3 ICSD 401207 P6_3/mmc (194) ✔ 16 112 1 2.106 2.352 0.000 (0;000) ✗ 02/02/17
Ba2H3Cl ICSD 416893 P-3m1 (164) ✔ 6 30 1 2.1081 2.626 0.000 (0;000) ✗ 05/01/17
VBiO4 COD 9012062 I4_1/a (88) ✔ 12 104 3 2.1086 2.165 0.000 (0;000) ✗ 05/01/17
NaBrO3 COD 1010511 P2_13 (198) ✗ 20 136 1 2.1089 2.112 0.000 (0;000) ✗ 21/03/17
HgH2C2I2N COD 2203720 P-1 (2) ✔ 16 82 3 2.1095 2.167 0.000 (0;000) ✗ 02/02/17
CsICl2 COD 2106471 R-3m (166) ✔ 4 30 1 2.1106 2.293 0.000 (0;000) ✗ 22/03/17
Cs2HgF4 ICSD 72353 I4/mmm (139) ✔ 7 58 2 2.1116 3.524 0.000 (0;000) ✗ 27/01/17
SiSe2 ICSD 24592 Ibam (72) ✔ 6 32 1 2.1117 2.277 0.000 (0;000) ✗ 27/01/17
ZnS ICSD 107611 R3m (160) ✗ 2 18 3 2.1125 2.113 0.000 (0;000) ✗ 06/10/16
ZnPdF6 ICSD 26165 R-3 (148) ✔ 8 72 3 2.1126 2.113 0.000 (0;000) ✗ 27/01/17
CrHg(PbO3)2 COD 2012488 P-1 (2) ✔ 20 180 3 2.1127 2.113 0.000 (0;000) ✗ 02/02/17
Ba2YBiO6 COD 2002487 Fm-3m (225) ✔ 10 82 3 2.1129 2.178 0.000 (0;000) ✗ 05/01/17
TlCl ICSD 109143 Cmcm (63) ✔ 4 40 1 2.1142 2.114 0.000 (0;000) ✗ 27/01/17
S2NO ICSD 410547 P-1 (2) ✔ 16 92 1 2.1152 2.481 0.000 (0;000) ✗ 02/02/17
PBr5 COD 1528267 Pbcm (57) ✔ 24 160 1 2.1153 2.243 0.000 (0;000) ✗ 04/08/17
ZnS COD 9013410 R3m (160) ✗ 10 90 3 2.1155 2.116 0.000 (0;000) ✗ 15/02/17
Al2ZnSe4 ICSD 181354 I-4 (82) ✗ 7 42 3 2.1157 2.116 0.000 (0;000) ✗ 06/10/16
Rb2S COD 9009068 Fm-3m (225) ✔ 3 24 1 2.1158 2.527 0.000 (0;000) ✗ 27/01/17
AgPb4ClO4 ICSD 68309 P4/n (85) ✔ 20 196 2 2.1158 2.378 0.000 (0;000) ✗ 30/01/17
Rb3V5O14 COD 4316137 P31m (157) ✗ 22 176 1 2.1177 2.207 0.000 (0;000) ✗ 04/08/17
Na3ClO COD 9007768 Pm-3m (221) ✔ 5 40 1 2.1182 2.118 0.000 (0;000) ✗ 27/01/17
BiBr3 ICSD 100293 P2_1/c (14) ✔ 16 104 2 2.1184 2.183 0.000 (0;000) ✗ 06/10/16
H6Pt(NO)4 ICSD 420292 C2 (5) ✗ 15 60 1 2.1195 2.120 0.000 (0;000) ✗ 15/02/17
Sr4S3O ICSD 165967 Pm-3m (221) ✔ 8 64 1 2.1198 2.120 0.000 (0;000) ✗ 06/10/16
CsNaSe ICSD 41322 P4/nmm (129) ✔ 6 48 1 2.1205 2.274 0.000 (0;000) ✗ 02/02/17
ScBiO3 COD 4123993 C2 (5) ✗ 20 176 3 2.1205 2.349 0.000 (0;000) ✗ 21/03/17
K3Nb3(BO6)2 COD 1001007 P31m (157) ✗ 20 144 3 2.121 2.252 0.000 (0;000) ✗ 21/03/17
K2SrTa2O7 ICSD 93492 I4/mmm (139) ✔ 12 96 1 2.1211 2.584 0.000 (0;000) ✗ 29/03/17
KSbO3 COD 1010566 R-3 (148) ✔ 10 64 3 2.1217 2.300 0.000 (0;000) ✗ 27/01/17
Na4SiO4 COD 1527119 P-1 (2) ✔ 18 128 1 2.1219 2.136 0.000 (0;000) ✗ 02/02/17
YOF ICSD 76426 P4/nmm (129) ✔ 6 48 3 2.122 2.228 0.000 (0;000) ✗ 27/01/17
CsHg2Br5 COD 1530529 P2_1/m (11) ✔ 16 136 1 2.1222 2.122 0.000 (0;000) ✗ 02/02/17
KNbO3 ICSD 190922 C2mm (38) ✗ 5 40 3 2.1224 2.960 0.000 (0;000) ✗ 06/10/16
CsCdAuS2 ICSD 85581 Cmme (67) ✔ 10 88 2 2.1236 2.236 0.000 (0;000) ✗ 30/01/17
LiAuF4 COD 1510139 P2/c (13) ✔ 24 168 1 2.1239 2.131 0.000 (0;000) ✗ 04/08/17
V2ZnO6 ICSD 26998 C2 (5) ✗ 9 74 3 2.1247 2.204 0.000 (0;000) ✗ 06/10/16
HfPbO3 ICSD 161702 Pm-3m (221) ✔ 5 44 3 2.1252 2.134 0.000 (0;000) ✗ 27/01/17
Sr2CaMoO6 ICSD 72815 Fm-3m (225) ✔ 10 80 1 2.1254 2.199 0.000 (0;000) ✗ 27/01/17
NClO6 ICSD 25817 C2/c (15) ✔ 16 96 1 2.1258 2.155 0.000 (0;000) ✗ 02/02/17
NaAg(NO2)2 ICSD 200377 Fdd2 (43) ✗ 16 108 1 2.1271 2.230 0.000 (0;000) ✗ 16/03/17
K2ZnO2 ICSD 34603 Ibam (72) ✔ 10 84 2 2.1272 2.127 0.000 (0;000) ✗ 27/01/17
PCl5 ICSD 26048 P4/n (85) ✔ 24 160 1 2.1286 2.129 0.000 (0;000) ✗ 04/08/17
Cd(GaS2)2 ICSD 25642 I-4 (82) ✗ 7 62 3 2.1289 2.129 0.000 (0;000) ✗ 06/10/16
CsAgO COD 1509282 I4/mmm (139) ✔ 12 104 3 2.1312 2.143 0.000 (0;000) ✗ 30/01/17
ZnS COD 9013162 P6_3mc (186) ✗ 12 108 3 2.1312 2.131 0.000 (0;000) ✗ 29/03/17
NaVCdO4 ICSD 28120 Cmcm (63) ✔ 14 116 3 2.1323 2.380 0.000 (0;000) ✗ 27/01/17
BiBr3 COD 8103605 P2_1/c (14) ✔ 16 144 2 2.133 2.198 0.000 (0;000) ✗ 02/02/17
Mg(AuF4)2 COD 1510402 P2_1/c (14) ✔ 22 176 3 2.1334 2.147 0.000 (0;000) ✗ 04/08/17
V2PbO6 ICSD 36464 C2/m (12) ✔ 18 152 3 2.1335 2.170 0.000 (0;000) ✗ 08/08/17
ZnS ICSD 37373 R3m (160) ✗ 6 54 0 2.1341 2.134 0.000 (0;000) ✗ 06/10/16
Ga2HgS4 ICSD 189742 I-4 (82) ✗ 7 62 3 2.1342 2.134 0.000 (0;000) ✗ 06/10/16
Al2ZnS4 COD 2310489 Fd-3m (227) ✔ 14 84 3 2.1345 2.135 0.000 (0;000) ✗ 30/01/17
K3V5O14 COD 4316136 P31m (157) ✗ 22 176 1 2.1357 2.244 0.000 (0;000) ✗ 04/08/17
Hf(PS3)2 ICSD 47228 Fdd2 (43) ✗ 18 116 3 2.1364 2.253 0.000 (0;000) ✗ 29/03/17
SrHI COD 9009184 P4/nmm (129) ✔ 6 36 1 2.138 2.138 0.000 (0;000) ✗ 29/03/17
Li2PdF6 ICSD 165212 P4_2/mnm (136) ✔ 18 132 1 2.1382 2.139 0.000 (0;000) ✗ 27/01/17
RbV3O8 ICSD 50009 P2_1/m (11) ✔ 24 192 1 2.1383 2.277 0.000 (0;000) ✗ 04/08/17
GaPS4 ICSD 2613 P2_1/c (14) ✔ 24 168 2 2.1386 2.139 0.000 (0;000) ✗ 04/08/17
HgMoO4 ICSD 2533 C2/c (15) ✔ 12 100 3 2.1395 2.474 0.000 (0;000) ✗ 27/01/17
Ba2CaMoO6 ICSD 45317 Fm-3m (225) ✔ 10 80 1 2.1405 2.212 0.000 (0;000) ✗ 05/01/17
TiO2 COD 9008216 I4_1/amd (141) ✔ 6 48 3 2.1406 2.472 0.000 (0;000) ✗ 27/01/17
RbCa2Ta3O10 ICSD 89010 P4/mmm (123) ✔ 16 128 2 2.141 2.351 0.000 (0;000) ✗ 02/02/17
S COD 9008578 R-3 (148) ✔ 6 36 1 2.1417 2.167 0.000 (0;000) ✗ 27/01/17
Sr3Li4(SiN3)2 ICSD 421259 C2/m (12) ✔ 15 80 1 2.1423 2.142 0.000 (0;000) ✗ 27/01/17
ZnS COD 9013409 P6_3mc (186) ✗ 8 72 3 2.1423 2.142 0.000 (0;000) ✗ 15/02/17
CsTlBr4 ICSD 61180 P2_12_12_1 (19) ✗ 24 200 1 2.1423 2.146 0.000 (0;000) ✗ 04/08/17
Al2PbS4 ICSD 609026 Cccm (66) ✔ 14 88 3 2.1424 2.144 0.000 (0;000) ✗ 30/01/17
TePb2O5 COD 9015570 C2/c (15) ✔ 16 128 3 2.1428 2.356 0.000 (0;000) ✗ 02/02/17
S ICSD 26463 Pnnm (58) ✔ 24 144 1 2.1436 2.304 0.000 (0;000) ✗ 02/02/17
Ba2ZrTiO6 ICSD 189098 R-3m (166) ✔ 10 72 3 2.1463 2.146 0.000 (0;000) ✗ 05/01/17
CsYCdSe3 COD 4313788 Cmcm (63) ✔ 12 100 1 2.1463 2.153 0.000 (0;000) ✗ 02/02/17
NbTeCl9 ICSD 410946 P-1 (2) ✔ 22 164 1 2.1471 2.222 0.000 (0;000) ✗ 04/08/17
CsInI4 ICSD 36602 P2_1/c (14) ✔ 24 200 1 2.1482 2.148 0.000 (0;000) ✗ 04/08/17
SrSnO3 COD 1521093 Pnma (62) ✔ 20 168 3 2.1483 2.168 0.000 (0;000) ✗ 02/02/17
ReF7 ICSD 78311 P-1 (2) ✔ 16 128 1 2.1498 2.170 0.000 (0;000) ✗ 02/02/17
InHO2 COD 1527723 Pmn2_1 (31) ✗ 8 52 3 2.1505 2.151 0.000 (0;000) ✗ 15/02/17
SrLi2Ta2O7 ICSD 88464 I4/mmm (139) ✔ 12 84 2 2.1506 2.600 0.000 (0;000) ✗ 29/03/17
Al2CdSe4 ICSD 83527 I-4 (82) ✗ 7 42 3 2.1509 2.151 0.000 (0;000) ✗ 06/10/16
YN ICSD 161077 F-43m (216) ✗ 2 16 3 2.1509 2.167 0.000 (0;000) ✗ 06/10/16
CsV3O8 ICSD 50010 P2_1/m (11) ✔ 24 192 1 2.1521 2.257 0.000 (0;000) ✗ 04/08/17
BaTiO3 ICSD 73641 C2mm (38) ✗ 5 40 3 2.1532 2.468 0.000 (0;000) ✗ 06/10/16
Sr2MgMoO6 ICSD 187662 I4/m (87) ✔ 10 80 3 2.1556 2.197 0.000 (0;000) ✗ 27/01/17
Ba2NaReO6 ICSD 200876 Fm-3m (225) ✔ 10 80 1 2.1561 2.227 0.000 (0;000) ✗ 05/01/17
InBiO3 COD 4002372 Pnma (62) ✔ 20 184 3 2.1564 2.242 0.000 (0;000) ✗ 02/02/17
Tl3CO3F ICSD 2515 P2_1/m (11) ✔ 16 136 3 2.157 2.424 0.000 (0;000) ✗ 02/02/17
Rb2SnO2 ICSD 24805 P2_12_12_1 (19) ✗ 20 176 1 2.1572 2.226 0.000 (0;000) ✗ 29/03/17
Ba3Ti3(BO6)2 ICSD 99460 P-62m (189) ✗ 20 144 3 2.1579 2.459 0.000 (0;000) ✗ 21/03/17
Sr2H6Os ICSD 638409 Fm-3m (225) ✔ 9 42 1 2.1582 2.298 0.000 (0;000) ✗ 27/01/17
CsC ICSD 51533 P-62m (189) ✗ 12 78 3 2.1594 2.159 0.000 (0;000) ✗ 22/03/17
NaSr2IO6 ICSD 425447 P2_1/c (14) ✔ 20 144 3 2.1609 2.225 0.000 (0;000) ✗ 02/02/17
HgBr2 ICSD 36158 Ccm2_1 (36) ✗ 6 52 2 2.1612 2.218 0.000 (0;000) ✗ 06/10/16
SeCl ICSD 37018 P2_1/c (14) ✔ 16 104 1 2.1612 2.199 0.000 (0;000) ✗ 02/02/17
Na3SbS4 ICSD 44707 I-43m (217) ✗ 8 56 1 2.1628 2.190 0.000 (0;000) ✗ 06/10/16
AlSeBr7 ICSD 401396 Pc (7) ✗ 18 116 1 2.1631 2.164 0.000 (0;000) ✗ 16/03/17
HgH4C4(NCl)2 COD 2203719 C2/m (12) ✔ 13 56 2 2.1633 2.211 0.000 (0;000) ✗ 27/01/17
S3N2O COD 7005890 Cc (9) ✗ 12 68 1 2.1634 2.250 0.000 (0;000) ✗ 29/03/17
BaTiO3 ICSD 73638 C2mm (38) ✗ 5 40 3 2.1635 2.478 0.000 (0;000) ✗ 06/10/16
V2CdO6 COD 1527174 C2/m (12) ✔ 9 74 3 2.1666 2.225 0.000 (0;000) ✗ 27/01/17
SrZnO2 ICSD 15913 Pnma (62) ✔ 16 136 3 2.1685 2.169 0.000 (0;000) ✗ 02/02/17
H4C3N4 COD 2012828 P-1 (2) ✔ 22 72 1 2.1696 2.279 0.000 (0;000) ✗ 04/08/17
BaHgO2 COD 2002491 P6_322 (182) ✗ 24 204 1 2.1697 2.247 0.000 (0;000) ✗ 04/08/17
Li(CO)2 ICSD 154354 C2/m (12) ✔ 10 46 1 2.1698 2.525 0.000 (0;000) ✗ 27/01/17
CaGeO3 COD 9000904 Pnma (62) ✔ 20 128 3 2.1712 2.229 0.000 (0;000) ✗ 02/02/17
Tl3BiCl6 ICSD 421317 P4_2/m (84) ✔ 20 192 1 2.1717 2.297 0.000 (0;000) ✗ 02/02/17
CuCSN ICSD 32578 P6_3mc (186) ✗ 8 52 3 2.1727 2.173 0.000 (0;000) ✗ 15/02/17
NClO ICSD 411511 Pnma (62) ✔ 12 72 1 2.1735 2.232 0.000 (0;000) ✗ 04/08/17
Rb2HgO2 ICSD 66276 I4/mmm (139) ✔ 5 42 1 2.1749 2.175 0.000 (0;000) ✗ 27/01/17
Sr4PtO6 COD 1522193 R-3c (167) ✔ 22 172 1 2.1809 2.181 0.000 (0;000) ✗ 07/08/17
CaIn2O4 ICSD 52390 I4_1/amd (141) ✔ 14 120 3 2.1818 2.208 0.000 (0;000) ✗ 27/01/17
K2NbAgS4 ICSD 84292 Fddd (70) ✔ 16 132 1 2.1824 2.203 0.000 (0;000) ✗ 30/01/17
K2HgO2 ICSD 27410 I4/mmm (139) ✔ 5 42 1 2.1836 2.339 0.000 (0;000) ✗ 27/01/17
AgCNO ICSD 23832 Cmcm (63) ✔ 8 52 3 2.1874 2.631 0.000 (0;000) ✗ 27/01/17
CuCSN ICSD 24372 R3m (160) ✗ 4 26 3 2.1878 2.361 0.000 (0;000) ✗ 15/02/17
NbAlCl8 ICSD 62029 Cmcm (63) ✔ 20 144 1 2.1882 2.244 0.000 (0;000) ✗ 30/01/17
In2Si2O7 COD 1527984 Fd-3m (227) ✔ 22 152 3 2.1883 2.640 0.000 (0;000) ✗ 04/08/17
KInP2S7 ICSD 91755 C2 (5) ✗ 11 74 2 2.1891 2.189 0.000 (0;000) ✗ 29/03/17
SnICl ICSD 23262 Pnma (62) ✔ 12 112 1 2.1913 2.256 0.000 (0;000) ✗ 02/02/17
Ba(TeO3)2 ICSD 8017 Cmcm (63) ✔ 18 116 2 2.1918 2.567 0.000 (0;000) ✗ 02/02/17
Cd4BiB3O10 ICSD 248027 Cm (8) ✗ 18 132 3 2.1919 2.665 0.000 (0;000) ✗ 21/03/17
TlV2AgO6 ICSD 201934 C2/c (15) ✔ 20 172 3 2.1923 2.201 0.000 (0;000) ✗ 30/01/17
BaO2 COD 2001842 I4/mmm (139) ✔ 3 22 1 2.1926 2.193 0.000 (0;000) ✗ 05/01/17
NaIO3 COD 1530808 Pna2_1 (33) ✗ 20 136 1 2.1927 2.211 0.000 (0;000) ✗ 29/03/17
Bi2O3 ICSD 168811 Fd-3m (227) ✔ 20 112 1 2.1934 2.260 0.000 (0;000) ✗ 06/10/16
Sr2SO ICSD 165968 P4/mmm (123) ✔ 4 32 1 2.1939 2.194 0.000 (0;000) ✗ 06/10/16
BaTiO3 ICSD 73637 C2mm (38) ✗ 5 40 3 2.1946 2.529 0.000 (0;000) ✗ 06/10/16
CsBr3 ICSD 22130 Pnma (62) ✔ 16 120 1 2.1955 2.251 0.000 (0;000) ✗ 02/02/17
HgNO2 ICSD 60055 P2_1/c (14) ✔ 16 116 3 2.1969 2.197 0.000 (0;000) ✗ 02/02/17
GeO2 COD 9006853 P4_2/mnm (136) ✔ 6 32 3 2.1978 2.198 0.000 (0;000) ✗ 27/01/17
Ca(ClO2)2 COD 2207379 Ccce (68) ✔ 14 96 1 2.1995 2.281 0.000 (0;000) ✗ 02/02/17
Rb2TiCl6 COD 1010193 Fm-3m (225) ✔ 9 72 1 2.2001 2.243 0.000 (0;000) ✗ 02/02/17
H4C3N2Cl COD 2005472 C2/m (12) ✔ 20 66 1 2.2005 2.250 0.000 (0;000) ✗ 02/02/17
ScAgO2 COD 1509495 P6_3/mmc (194) ✔ 8 68 3 2.2006 2.615 0.000 (0;000) ✗ 05/01/17
Rb2Mo(SO)2 ICSD 423992 C2/c (15) ✔ 14 112 1 2.2015 2.383 0.000 (0;000) ✗ 02/02/17
K3TaO8 ICSD 30406 I-42m (121) ✗ 12 88 1 2.2024 2.276 0.000 (0;000) ✗ 07/10/16
CsAgCl2 ICSD 150300 P4/nmm (129) ✔ 8 68 2 2.2043 2.501 0.000 (0;000) ✗ 30/01/17
Ca(InS2)2 COD 9012322 Fd-3m (227) ✔ 14 120 3 2.2045 2.205 0.000 (0;000) ✗ 02/02/17
CaTiO3 COD 2310618 Pnma (62) ✔ 20 160 3 2.2046 2.205 0.000 (0;000) ✗ 02/02/17
Li5Br2N ICSD 78836 Immm (71) ✔ 8 34 1 2.2057 2.383 0.000 (0;000) ✗ 27/01/17
KSn2Br5 ICSD 151983 I4/mcm (140) ✔ 16 144 2 2.2057 2.378 0.000 (0;000) ✗ 02/02/17
Li2Te COD 9009062 Fm-3m (225) ✔ 3 12 1 2.2058 2.887 0.000 (0;000) ✗ 27/01/17
Cs4Au6S5 COD 1510578 P31m (157) ✗ 15 132 2 2.2096 2.241 0.000 (0;000) ✗ 21/03/17
Al2CdSe4 ICSD 25637 I-4 (82) ✗ 7 42 3 2.2118 2.212 0.000 (0;000) ✗ 06/10/16
K3SbS4 ICSD 41895 I-43m (217) ✗ 8 56 1 2.2119 2.258 0.000 (0;000) ✗ 06/10/16
KSb(PS3)2 COD 8100520 P2_1 (4) ✗ 20 120 2 2.212 2.233 0.000 (0;000) ✗ 29/03/17
ReAgO4 COD 2008824 I4_1/a (88) ✔ 12 100 3 2.213 2.307 0.000 (0;000) ✗ 05/01/17
PbF4 COD 1528583 I4/mmm (139) ✔ 5 42 3 2.2131 2.413 0.000 (0;000) ✗ 27/01/17
RbSbO2 ICSD 411216 C2/c (15) ✔ 8 52 1 2.2136 2.222 0.000 (0;000) ✗ 27/01/17
In6WO12 COD 1001180 R-3 (148) ✔ 19 164 3 2.2144 2.226 0.000 (0;000) ✗ 02/02/17
Al2CdSe4 ICSD 51421 I-4 (82) ✗ 7 42 3 2.2148 2.215 0.000 (0;000) ✗ 06/10/16
P2S3 ICSD 423037 P2_1/m (11) ✔ 20 112 1 2.2148 2.293 0.000 (0;000) ✗ 02/02/17
Zr(InBr3)2 ICSD 54137 P4/mnc (128) ✔ 18 144 1 2.215 2.216 0.000 (0;000) ✗ 02/02/17
PbC2(SN)2 ICSD 143 C2/c (15) ✔ 14 88 1 2.2153 2.282 0.000 (0;000) ✗ 02/02/17
Ba2InO3F ICSD 81876 P4/nmm (129) ✔ 14 116 1 2.2156 2.759 0.000 (0;000) ✗ 02/02/17
CsH COD 9008622 Fm-3m (225) ✔ 2 10 1 2.2162 2.216 0.000 (0;000) ✗ 27/01/17
Bi2O3 COD 9012546 P2_1/c (14) ✔ 20 192 3 2.2166 2.249 0.000 (0;000) ✗ 02/02/17
Sr2NbN3 ICSD 51028 C2/c (15) ✔ 24 192 1 2.2167 2.254 0.000 (0;000) ✗ 04/08/17
TlSn2Br5 ICSD 151988 I4/mcm (140) ✔ 16 152 2 2.2195 2.420 0.000 (0;000) ✗ 02/02/17
CrPbO4 COD 9009515 Pnma (62) ✔ 24 208 3 2.2197 2.237 0.000 (0;000) ✗ 04/08/17
Al2HgS4 ICSD 25635 I-4 (82) ✗ 7 42 3 2.2212 2.221 0.000 (0;000) ✗ 06/10/16
Sr2H6Ru ICSD 655142 Fm-3m (225) ✔ 9 42 1 2.2212 2.291 0.000 (0;000) ✗ 27/01/17
SiO2 ICSD 155251 P3_221 (154) ✗ 9 48 1 2.2214 2.340 0.000 (0;000) ✗ 29/03/17
Ba2CdS3 ICSD 66654 Pnma (62) ✔ 24 200 1 2.223 2.223 0.000 (0;000) ✗ 04/08/17
IF3 ICSD 411036 Pnma (62) ✔ 16 112 1 2.2231 2.317 0.000 (0;000) ✗ 02/02/17
Rb2NbAgS4 ICSD 50463 Fddd (70) ✔ 16 132 1 2.2234 2.266 0.000 (0;000) ✗ 30/01/17
Rb4In2S5 ICSD 23253 P-1 (2) ✔ 22 184 1 2.2237 2.224 0.000 (0;000) ✗ 07/08/17
LiGaSe2 COD 1531591 Pna2_1 (33) ✗ 16 112 3 2.2259 2.226 0.000 (0;000) ✗ 22/03/17
HfBrN COD 1532008 Pmmn (59) ✔ 6 48 2 2.226 2.226 0.000 (0;000) ✗ 27/01/17
BaPSe3 ICSD 412768 P2_1/c (14) ✔ 20 132 1 2.2266 2.278 0.000 (0;000) ✗ 02/02/17
Rb2Te ICSD 55135 Fm-3m (225) ✔ 3 24 3 2.2267 2.602 0.000 (0;000) ✗ 27/01/17
GaSeBr7 COD 8101317 Pc (7) ✗ 18 136 1 2.2271 2.259 0.000 (0;000) ✗ 21/03/17
Li7VN4 COD 4344132 P4_2/nmc (137) ✔ 24 108 3 2.228 2.228 0.000 (0;000) ✗ 04/08/17
Bi2O3 ICSD 15072 P2_1/c (14) ✔ 20 112 3 2.2283 2.259 0.000 (0;000) ✗ 06/10/16
Sr2LiReO6 ICSD 246731 Fm-3m (225) ✔ 10 74 1 2.2293 2.314 0.000 (0;000) ✗ 27/01/17
SrPSe3 ICSD 412766 P2_1/c (14) ✔ 20 132 1 2.2293 2.229 0.000 (0;000) ✗ 02/02/17
Na4SnS4 ICSD 42035 P-42_1c (114) ✗ 18 148 1 2.2298 2.230 0.000 (0;000) ✗ 29/03/17
Sn2Bi2O7 ICSD 50311 Fd-3m (227) ✔ 22 200 3 2.2298 2.401 0.000 (0;000) ✗ 04/08/17
Sn2IF3 ICSD 2419 C222_1 (20) ✗ 12 112 1 2.2326 2.389 0.000 (0;000) ✗ 06/10/16
KLiTe ICSD 67887 P4/nmm (129) ✔ 6 36 1 2.2329 2.233 0.000 (0;000) ✗ 27/01/17
Tl2ZnI4 ICSD 37099 P2_1 (4) ✗ 14 132 3 2.233 2.334 0.000 (0;000) ✗ 29/03/17
LiCa4(BN2)3 ICSD 400339 Im-3m (229) ✔ 14 82 1 2.2339 3.025 0.000 (0;000) ✗ 05/01/17
SrSn(BO3)2 ICSD 28267 R-3 (148) ✔ 10 66 2 2.234 2.378 0.000 (0;000) ✗ 05/01/17
SnBr2 ICSD 411177 Pnma (62) ✔ 12 112 1 2.2341 2.269 0.000 (0;000) ✗ 02/02/17
RbSn2Br5 ICSD 151989 I4/mcm (140) ✔ 16 144 2 2.2355 2.427 0.000 (0;000) ✗ 02/02/17
S5N6 COD 1529768 C2/c (15) ✔ 22 120 1 2.2357 2.285 0.000 (0;000) ✗ 04/08/17
Na4ReN3 ICSD 411243 Cc (9) ✗ 16 132 1 2.236 2.312 0.000 (0;000) ✗ 29/03/17
LiCaGaN2 ICSD 415411 P2_1/c (14) ✔ 20 144 1 2.2368 2.237 0.000 (0;000) ✗ 02/02/17
VBiPbO5 ICSD 56791 P-1 (2) ✔ 16 144 3 2.2379 2.437 0.000 (0;000) ✗ 02/02/17
NaInI4 ICSD 65463 P2_1/c (14) ✔ 24 200 1 2.2385 2.239 0.000 (0;000) ✗ 04/08/17
MoO3 COD 9014987 Pnma (62) ✔ 16 128 2 2.2396 3.008 0.000 (0;000) ✗ 02/02/17
SrTeO4 ICSD 8098 Pbcn (60) ✔ 24 160 1 2.2406 2.261 0.000 (0;000) ✗ 04/08/17
NaYS2 COD 2019542 R-3m (166) ✔ 4 32 2 2.241 3.060 0.000 (0;000) ✗ 27/01/17
Sr3Li4(GeN3)2 ICSD 96422 C2/m (12) ✔ 15 80 1 2.2416 2.435 0.000 (0;000) ✗ 27/01/17
Sb2PbO6 ICSD 16852 P-31m (162) ✔ 9 60 3 2.242 2.378 0.000 (0;000) ✗ 06/10/16
AlCuBr4 COD 4322712 P-42c (112) ✗ 12 84 3 2.2424 2.363 0.000 (0;000) ✗ 16/03/17
NaAu(IO3)4 ICSD 250786 P1 (1) ✗ 18 120 1 2.2426 2.263 0.000 (0;000) ✗ 21/03/17
OsO3F2 ICSD 73732 P2_1/c (14) ✔ 24 192 1 2.2427 2.305 0.000 (0;000) ✗ 04/08/17
GeS2 COD 1010520 Fdd2 (43) ✗ 18 96 3 2.2429 2.345 0.000 (0;000) ✗ 22/03/17
Ru(CO)4 ICSD 72577 Ibam (72) ✔ 18 112 1 2.2438 2.285 0.000 (0;000) ✗ 02/02/17
BaY2PdO5 COD 1000242 P4/mbm (127) ✔ 18 160 3 2.2474 2.377 0.000 (0;000) ✗ 02/02/17
SrO2 COD 1100026 I4/mmm (139) ✔ 3 22 1 2.2477 2.248 0.000 (0;000) ✗ 27/01/17
ScTa(PbO3)2 ICSD 77739 Fm-3m (225) ✔ 10 88 3 2.2483 2.248 0.000 (0;000) ✗ 27/01/17
SiC COD 9011661 P6_3mc (186) ✗ 4 16 3 2.2495 3.971 0.000 (0;000) ✗ 15/02/17
Li4RuH6 ICSD 638272 R-3c (167) ✔ 22 68 1 2.2498 2.250 0.000 (0;000) ✗ 04/08/17
BrNO3 ICSD 407765 P2_12_12_1 (19) ✗ 20 120 1 2.25 2.269 0.000 (0;000) ✗ 21/03/17
Ge3N4 ICSD 637157 P6_3/m (176) ✔ 14 64 3 2.2501 2.250 0.000 (0;000) ✗ 27/01/17
RbNaO ICSD 61092 P4/nmm (129) ✔ 6 48 1 2.2509 2.368 0.000 (0;000) ✗ 27/01/17
K3TcC4(N2O)2 ICSD 260824 P-1 (2) ✔ 14 90 1 2.2512 2.257 0.000 (0;000) ✗ 02/02/17
Rb4CO4 ICSD 245439 I222 (23) ✗ 9 64 3 2.2513 2.375 0.000 (0;000) ✗ 06/10/16
SnO2 ICSD 56677 Pa3 (205) ✔ 12 104 3 2.2532 2.319 0.000 (0;000) ✗ 27/01/17
KAuF4 COD 1510138 I4/mcm (140) ✔ 12 96 1 2.2533 2.253 0.000 (0;000) ✗ 02/02/17
KAu(IO3)4 ICSD 417267 P1 (1) ✗ 18 120 1 2.254 2.290 0.000 (0;000) ✗ 21/03/17
Ge2N2O ICSD 200849 Cmc2_1 (36) ✗ 10 48 3 2.2545 2.593 0.000 (0;000) ✗ 06/10/16
CaPSe3 ICSD 412765 P2_1/c (14) ✔ 20 132 1 2.2546 2.255 0.000 (0;000) ✗ 02/02/17
Sr2TiO4 COD 1517788 I4/mmm (139) ✔ 7 56 2 2.2547 2.423 0.000 (0;000) ✗ 27/01/17
LiGaI3 COD 1530097 P2_1/m (11) ✔ 20 148 1 2.2566 2.316 0.000 (0;000) ✗ 02/02/17
Na3AgS2 COD 1509476 Ibam (72) ✔ 12 100 1 2.2573 2.527 0.000 (0;000) ✗ 30/01/17
Cd(GaS2)2 ICSD 619878 I-4 (82) ✗ 7 62 3 2.2573 2.260 0.000 (0;000) ✗ 06/10/16
CsK2PdF5 ICSD 72301 P4/mbm (127) ✔ 18 160 2 2.2574 2.261 0.000 (0;000) ✗ 02/02/17
CO2 ICSD 110776 Pnnm (58) ✔ 6 32 1 2.2578 3.149 0.000 (0;000) ✗ 06/10/16
BaLiH3 ICSD 416463 Pm-3m (221) ✔ 5 16 1 2.2583 2.610 0.000 (0;000) ✗ 05/01/17
ZrSO ICSD 31721 P2_13 (198) ✗ 12 64 3 2.2593 2.612 0.000 (0;000) ✗ 06/10/16
K2HgS2 ICSD 74500 Pbcm (57) ✔ 20 168 1 2.2608 2.261 0.000 (0;000) ✗ 02/02/17
NaTaO3 COD 2002945 P4/mbm (127) ✔ 10 80 3 2.2609 2.385 0.000 (0;000) ✗ 27/01/17
Ga2I3 ICSD 24822 P2_1/c (14) ✔ 20 188 1 2.2613 2.288 0.000 (0;000) ✗ 02/02/17
RbTl(SO4)2 ICSD 21087 R32 (155) ✗ 12 82 2 2.2618 2.284 0.000 (0;000) ✗ 15/02/17
Cr(OF)2 COD 4339750 P2_1/c (14) ✔ 20 160 2 2.262 2.278 0.000 (0;000) ✗ 07/08/17
Cd(GaS2)2 ICSD 52801 I-4 (82) ✗ 7 62 3 2.2641 2.264 0.000 (0;000) ✗ 06/10/16
Bi2O3 ICSD 168810 R3m (160) ✗ 10 56 2 2.2643 2.309 0.000 (0;000) ✗ 06/10/16
CaTeO4 ICSD 8097 Pbcn (60) ✔ 24 160 1 2.2643 2.264 0.000 (0;000) ✗ 04/08/17
RbYS2 COD 2105804 R-3m (166) ✔ 4 32 2 2.2654 2.916 0.000 (0;000) ✗ 27/01/17
InBrO ICSD 24059 Pmmn (59) ✔ 6 52 2 2.2656 2.325 0.000 (0;000) ✗ 27/01/17
ZnPtF6 ICSD 37444 R-3 (148) ✔ 8 64 3 2.2658 2.266 0.000 (0;000) ✗ 27/01/17
Na2Tl COD 2310211 C222_1 (20) ✗ 24 248 1 2.2658 0.018 1.000 (0;000) ✗ 07/08/17
ZnMoO4 COD 2240887 P2/c (13) ✔ 12 100 3 2.2669 2.267 0.000 (0;000) ✗ 27/01/17
BaO ICSD 173921 P6_3/mmc (194) ✔ 4 32 1 2.2677 2.285 0.000 (0;000) ✗ 05/01/17
BaNb2V2O11 ICSD 165097 R-3m (166) ✔ 16 128 2 2.2681 2.270 0.000 (0;000) ✗ 02/02/17
Zn(GaS2)2 ICSD 635305 I-4 (82) ✗ 7 62 3 2.2683 2.268 0.000 (0;000) ✗ 06/10/16
Sr3(BS3)2 COD 1510829 C2/c (15) ✔ 22 144 1 2.2685 2.290 0.000 (0;000) ✗ 07/08/17
LiCdBO3 ICSD 20191 P-6 (174) ✗ 18 108 3 2.2699 2.533 0.000 (0;000) ✗ 15/02/17
NaTaO3 ICSD 28617 Pm-3m (221) ✔ 5 40 3 2.2699 2.960 0.000 (0;000) ✗ 27/01/17
TlBr2 COD 1527495 Pnna (52) ✔ 24 216 1 2.2705 2.271 0.000 (0;000) ✗ 04/08/17
LiMoIO6 ICSD 156006 P2_1 (4) ✗ 18 120 2 2.2705 2.378 0.000 (0;000) ✗ 29/03/17
RbLiSe ICSD 78878 P4/nmm (129) ✔ 6 36 1 2.2723 2.337 0.000 (0;000) ✗ 27/01/17
Cs2TiCl6 COD 1010219 Fm-3m (225) ✔ 9 72 1 2.2724 2.314 0.000 (0;000) ✗ 02/02/17
Zn(GaS2)2 ICSD 635296 I-4 (82) ✗ 7 62 3 2.2727 2.273 0.000 (0;000) ✗ 06/10/16
Li8PtO6 ICSD 61218 R-3 (148) ✔ 15 70 2 2.2729 2.273 0.000 (0;000) ✗ 27/01/17
CsSn2Br5 COD 1525544 I4/mcm (140) ✔ 16 144 2 2.2729 2.444 0.000 (0;000) ✗ 02/02/17
BiIO4 COD 4106584 Pca2_1 (29) ✗ 24 184 2 2.2729 2.462 0.000 (0;000) ✗ 04/08/17
TeO2 COD 9008125 Pbca (61) ✔ 24 144 2 2.2733 2.346 0.000 (0;000) ✗ 04/08/17
KYS2 COD 2105803 R-3m (166) ✔ 4 32 2 2.2739 2.974 0.000 (0;000) ✗ 27/01/17
PbBrF COD 9009175 P4/nmm (129) ✔ 6 56 2 2.2754 2.275 0.000 (0;000) ✗ 27/01/17
Cd2Ru(CN)6 ICSD 417822 P-3 (147) ✔ 15 94 3 2.2762 2.276 0.000 (0;000) ✗ 02/02/17
Mg2NF ICSD 262327 I4_1/amd (141) ✔ 8 64 3 2.2789 2.355 0.000 (0;000) ✗ 27/01/17
Li8TeN2 ICSD 247257 I4_1md (109) ✗ 22 80 1 2.2789 2.280 0.000 (0;000) ✗ 04/08/17
KClO2 COD 2014618 Cmcm (63) ✔ 8 56 1 2.279 3.000 0.000 (0;000) ✗ 27/01/17
CdPb2(ClO)2 ICSD 168248 C2/m (12) ✔ 7 66 2 2.2796 2.404 0.000 (0;000) ✗ 27/01/17
CaPdF6 ICSD 26164 R-3 (148) ✔ 8 70 1 2.28 2.280 0.000 (0;000) ✗ 27/01/17
AlICl6 ICSD 26510 P2_1 (4) ✗ 16 104 2 2.2808 2.316 0.000 (0;000) ✗ 16/03/17
BaCa(CO3)2 COD 5910095 P2_1 (4) ✗ 20 128 1 2.2809 2.293 0.000 (0;000) ✗ 21/03/17
CsAuF4 ICSD 152056 Immm (71) ✔ 12 96 2 2.2813 2.467 0.000 (0;000) ✗ 02/02/17
Zn(GaS2)2 ICSD 53604 I-4 (82) ✗ 7 62 3 2.2825 2.283 0.000 (0;000) ✗ 06/10/16
K4CO4 ICSD 245418 R3m (160) ✗ 9 64 3 2.2834 2.355 0.000 (0;000) ✗ 06/10/16
CdPtF6 ICSD 37445 R-3 (148) ✔ 8 64 3 2.2851 2.289 0.000 (0;000) ✗ 27/01/17
P4S5 ICSD 1995 P2_1/m (11) ✔ 18 100 1 2.2857 2.286 0.000 (0;000) ✗ 02/02/17
MgO ICSD 166273 P-6m2 (187) ✗ 2 16 3 2.2858 2.517 0.000 (0;000) ✗ 06/10/16
BaZnSO COD 4310117 Cmcm (63) ✔ 8 68 2 2.2859 2.344 0.000 (0;000) ✗ 05/01/17
HgC2(SN)2 ICSD 10304 C2/m (12) ✔ 7 42 2 2.286 2.380 0.000 (0;000) ✗ 27/01/17
Cs2NbAgS4 ICSD 84293 Fddd (70) ✔ 16 132 1 2.2864 2.392 0.000 (0;000) ✗ 16/03/17
AlH3 COD 4343801 R-3c (167) ✔ 8 12 3 2.287 2.372 0.000 (0;000) ✗ 05/01/17
BaTiO3 ICSD 100463 R3m (160) ✗ 5 40 3 2.2876 2.569 0.000 (0;000) ✗ 06/10/16
BaTiO3 ICSD 100464 R3m (160) ✗ 5 40 3 2.2876 2.569 0.000 (0;000) ✗ 06/10/16
BNCl2 ICSD 28168 R3 (146) ✗ 12 66 1 2.288 2.326 0.000 (0;000) ✗ 06/10/16
NaAlSe2 ICSD 44704 I4/mcm (140) ✔ 8 48 1 2.2881 2.395 0.000 (0;000) ✗ 05/01/17
H4C3O4 COD 4507995 P-1 (2) ✔ 22 80 3 2.2883 2.328 0.000 (0;000) ✗ 04/08/17
Bi2O3 ICSD 172529 Pbnb (56) ✔ 20 112 3 2.2888 2.289 0.000 (0;000) ✗ 06/10/16
Na4SnO4 COD 4030179 P-1 (2) ✔ 18 148 1 2.2889 2.305 0.000 (0;000) ✗ 02/02/17
KIO3 ICSD 424864 R3 (146) ✗ 10 68 3 2.2905 2.302 0.000 (0;000) ✗ 06/10/16
BaHI COD 9009160 P4/nmm (129) ✔ 6 36 1 2.2911 2.291 0.000 (0;000) ✗ 21/03/17
TlTe COD 1521987 I4/mcm (140) ✔ 16 152 3 2.2939 0.010 1.000 (0;000) ✗ 29/03/17
LiBeH3 COD 4343939 Pnma (62) ✔ 20 40 1 2.2964 2.395 0.000 (0;000) ✗ 05/01/17
V2CdO6 ICSD 21065 C2/m (12) ✔ 9 74 3 2.2965 2.306 0.000 (0;000) ✗ 04/08/17
Bi(BO2)3 ICSD 173746 P1 (1) ✗ 10 50 3 2.2969 2.382 0.000 (0;000) ✗ 06/10/16
BaTi2O5 COD 2013673 C2 (5) ✗ 24 192 3 2.2987 2.801 0.000 (0;000) ✗ 04/08/17
Na4I2O COD 9007749 I4/mmm (139) ✔ 7 56 1 2.299 2.299 0.000 (0;000) ✗ 30/01/17
Bi2O3 ICSD 261777 Pccn (56) ✔ 20 112 3 2.3002 2.300 0.000 (0;000) ✗ 06/10/16
Ba3InSe4Cl ICSD 250812 I4/mcm (140) ✔ 18 148 3 2.301 2.403 0.000 (0;000) ✗ 02/02/17
TlSbF6 ICSD 36264 R-3m (166) ✔ 8 60 1 2.3033 2.565 0.000 (0;000) ✗ 27/01/17
Li2CdGeO4 ICSD 20031 Pmn2_1 (31) ✗ 16 92 3 2.3043 2.548 0.000 (0;000) ✗ 15/02/17
CsAu(IO3)4 ICSD 250789 C2 (5) ✗ 18 120 3 2.3049 2.352 0.000 (0;000) ✗ 21/03/17
Hg2SeO3 ICSD 412302 P2_1/c (14) ✔ 24 192 3 2.3056 2.306 0.000 (0;000) ✗ 04/08/17
LiGaI4 ICSD 60850 P2_1/c (14) ✔ 24 176 1 2.3064 2.339 0.000 (0;000) ✗ 04/08/17
K2SnO3 COD 1527400 Pnma (62) ✔ 24 200 1 2.3069 2.307 0.000 (0;000) ✗ 04/08/17
BiClO COD 4509949 P4/nmm (129) ✔ 6 56 2 2.3075 2.699 0.000 (0;000) ✗ 05/01/17
CsGeCl3 ICSD 23121 R3 (146) ✗ 5 34 1 2.3076 2.309 0.000 (0;000) ✗ 28/10/16
CsSbCl6 ICSD 155691 Cc (9) ✗ 16 112 1 2.3084 2.309 0.000 (0;000) ✗ 22/03/17
Li4H6Os ICSD 638269 R-3c (167) ✔ 22 68 1 2.3096 2.310 0.000 (0;000) ✗ 04/08/17
HgTeO3 ICSD 61673 P-1 (2) ✔ 20 144 3 2.3102 2.493 0.000 (0;000) ✗ 02/02/17
KNO3 ICSD 52376 Pnma (62) ✔ 20 128 1 2.3104 2.310 0.000 (0;000) ✗ 02/02/17
HgWO4 COD 2010794 C2/c (15) ✔ 12 128 3 2.3115 2.754 0.000 (0;000) ✗ 07/08/17
Li5ReO6 ICSD 74982 C2/m (12) ✔ 12 66 1 2.3121 2.393 0.000 (0;000) ✗ 27/01/17
Sn2IF3 ICSD 38268 Cmcm (63) ✔ 12 112 1 2.3121 2.457 0.000 (0;000) ✗ 02/02/17
MgSe ICSD 658986 P6_3mc (186) ✗ 4 32 3 2.3123 2.313 0.000 (0;000) ✗ 06/10/16
Bi2O3 COD 4332559 Pccn (56) ✔ 20 192 3 2.313 2.314 0.000 (0;000) ✗ 02/02/17
Mg2SiO4 ICSD 189973 Cmc2_1 (36) ✗ 14 96 3 2.3132 2.447 0.000 (0;000) ✗ 15/02/17
LiMgN COD 1526992 Pnma (62) ✔ 12 72 3 2.3137 2.314 0.000 (0;000) ✗ 27/01/17
HPbIO ICSD 192169 Pnma (62) ✔ 16 112 3 2.3146 2.398 0.000 (0;000) ✗ 02/02/17
Cl2 COD 1512500 Cmce (64) ✔ 4 28 1 2.3148 2.315 0.000 (0;000) ✗ 27/01/17
Rb2GeS3 COD 8100500 C2/m (12) ✔ 12 80 1 2.3151 2.399 0.000 (0;000) ✗ 02/02/17
In2Ge2O7 COD 1530944 C2/m (12) ✔ 11 76 3 2.3152 2.315 0.000 (0;000) ✗ 27/01/17
MgCrO4 COD 1008083 Cmcm (63) ✔ 12 96 3 2.3153 2.398 0.000 (0;000) ✗ 27/01/17
Li6Br3N ICSD 84092 P2_1/c (14) ✔ 20 88 1 2.3159 2.316 0.000 (0;000) ✗ 02/02/17
Zn(GaS2)2 ICSD 63242 I-4 (82) ✗ 7 62 3 2.316 2.316 0.000 (0;000) ✗ 06/10/16
VBiO4 COD 9014682 Pbcn (60) ✔ 24 208 3 2.3177 2.414 0.000 (0;000) ✗ 04/08/17
KNaO ICSD 32743 P4/nmm (129) ✔ 6 48 1 2.318 2.413 0.000 (0;000) ✗ 27/01/17
K4CO4 ICSD 245422 C2 (5) ✗ 9 64 2 2.3193 2.486 0.000 (0;000) ✗ 06/10/16
AlGa3N4 ICSD 187054 P-43m (215) ✗ 8 62 3 2.3197 2.320 0.000 (0;000) ✗ 06/10/16
MgH2 ICSD 155811 Pbca (61) ✔ 24 96 1 2.3202 2.320 0.000 (0;000) ✗ 04/08/17
Li4Ca3(SiN3)2 ICSD 420675 C2/m (12) ✔ 15 80 1 2.3217 2.395 0.000 (0;000) ✗ 27/01/17
BNCl2 ICSD 27255 R3 (146) ✗ 12 66 1 2.3231 2.367 0.000 (0;000) ✗ 06/10/16
Tl4V2O7 ICSD 72810 P-3m1 (164) ✔ 13 120 2 2.3238 2.339 0.000 (0;000) ✗ 02/02/17
KLiZnO2 ICSD 49022 C2/m (12) ✔ 10 72 3 2.3249 2.325 0.000 (0;000) ✗ 27/01/17
YAuO2 COD 1510263 P6_3/mmc (194) ✔ 8 68 3 2.3253 2.480 0.000 (0;000) ✗ 05/01/17
P4S5 ICSD 16681 P2_1 (4) ✗ 18 100 1 2.3253 2.383 0.000 (0;000) ✗ 29/03/17
CaS COD 9008606 Fm-3m (225) ✔ 2 16 1 2.3258 3.135 0.000 (0;000) ✗ 27/01/17
HgC2(SeN)2 ICSD 85760 P2_1/c (14) ✔ 14 84 2 2.326 2.434 0.000 (0;000) ✗ 02/02/17
K3SbS4 ICSD 402642 Cmc2_1 (36) ✗ 16 112 1 2.3264 2.327 0.000 (0;000) ✗ 29/03/17
ScCuO2 COD 4000157 P6_3/mmc (194) ✔ 8 68 3 2.3272 2.327 0.000 (0;000) ✗ 27/01/17
Cs4Ga2Se5 ICSD 30810 P-1 (2) ✔ 22 184 2 2.3275 2.328 0.000 (0;000) ✗ 07/08/17
BaTiO3 ICSD 73632 R3m (160) ✗ 5 40 3 2.3277 2.617 0.000 (0;000) ✗ 06/10/16
MoO3 ICSD 80577 P2_1/m (11) ✔ 8 64 2 2.3284 3.028 0.000 (0;000) ✗ 27/01/17
Bi3ClO4 COD 8101670 C2/c (15) ✔ 16 152 2 2.3289 2.362 0.000 (0;000) ✗ 02/02/17
KYGeS4 ICSD 603205 P2_1 (4) ✗ 14 96 1 2.3292 2.482 0.000 (0;000) ✗ 22/03/17
V2ZnO6 ICSD 30880 C2/m (12) ✔ 9 74 3 2.3293 2.384 0.000 (0;000) ✗ 27/01/17
Rb4CO4 ICSD 245443 Cm (8) ✗ 9 64 3 2.3293 2.443 0.000 (0;000) ✗ 06/10/16
CsAgCl2 COD 1509264 Cmcm (63) ✔ 8 68 2 2.3293 2.738 0.000 (0;000) ✗ 30/01/17
Pb2ClOF COD 9012904 Cmme (67) ✔ 10 96 2 2.3301 2.444 0.000 (0;000) ✗ 02/02/17
CS14 ICSD 26464 R-3m (166) ✔ 15 88 2 2.3303 2.487 0.000 (0;000) ✗ 02/02/17
KRbS ICSD 72326 Pnma (62) ✔ 12 96 1 2.3309 2.331 0.000 (0;000) ✗ 02/02/17
K3HWS4O ICSD 425986 Pmn2_1 (31) ✗ 20 172 1 2.3309 2.332 0.000 (0;000) ✗ 11/04/17
P3N5 ICSD 95782 Imm2 (44) ✗ 8 40 3 2.3318 3.212 0.000 (0;000) ✗ 15/02/17
Ca2NCl ICSD 62555 R-3m (166) ✔ 4 32 1 2.3335 2.334 0.000 (0;000) ✗ 27/01/17
C4SBr4 COD 2102931 Pc (7) ✗ 18 100 1 2.3353 2.485 0.000 (0;000) ✗ 21/03/17
Ti3PbO7 ICSD 2104 P2_1/m (11) ✔ 22 184 3 2.3353 2.681 0.000 (0;000) ✗ 07/08/17
RbAu(IO3)4 ICSD 250788 C2 (5) ✗ 18 120 3 2.3359 2.410 0.000 (0;000) ✗ 21/03/17
Cd(GaS2)2 ICSD 619873 I-4 (82) ✗ 7 62 3 2.337 2.338 0.000 (0;000) ✗ 06/10/16
CsMnO4 COD 1521181 Pnma (62) ✔ 24 192 1 2.339 2.372 0.000 (0;000) ✗ 04/08/17
Na3PS4 ICSD 72860 P-42_1c (114) ✗ 16 112 1 2.3398 2.340 0.000 (0;000) ✗ 29/03/17
CuCClO ICSD 63490 Pmn2_1 (31) ✗ 8 56 2 2.3445 2.639 0.000 (0;000) ✗ 15/02/17
N3Cl ICSD 424502 Cmc2_1 (36) ✗ 8 44 1 2.3446 2.370 0.000 (0;000) ✗ 06/10/16
Ba2CuBrO2 COD 2002478 R-3m (166) ✔ 6 50 2 2.3456 2.346 0.000 (0;000) ✗ 05/01/17
Rb2NiF6 ICSD 29005 Fm-3m (225) ✔ 9 70 1 2.3477 2.348 0.000 (0;000) ✗ 27/01/17
NO2 ICSD 52347 Im3 (204) ✔ 18 102 1 2.3492 2.349 0.000 (0;000) ✗ 02/02/17
Li2CaTa2O7 ICSD 245841 I4/mmm (139) ✔ 12 84 2 2.3496 2.802 0.000 (0;000) ✗ 21/03/17
Ga4SnS7 COD 4001920 Pc (7) ✗ 24 216 3 2.3502 2.560 0.000 (0;000) ✗ 04/08/17
TaBiO4 ICSD 415849 P-1 (2) ✔ 24 208 3 2.3509 2.351 0.000 (0;000) ✗ 04/08/17
Tl4CuTe3 ICSD 629347 I4/mcm (140) ✔ 16 162 3 2.3512 0.004 1.000 (0;000) ✗ 02/02/17
BaBiIO2 ICSD 97511 Cmcm (63) ✔ 10 88 2 2.3517 2.401 0.000 (0;000) ✗ 02/02/17
CuH6BrN2 COD 7104068 C2/c (15) ✔ 20 68 1 2.3525 2.353 0.000 (0;000) ✗ 02/02/17
Cs3Bi2Cl9 ICSD 23349 P321 (150) ✗ 14 120 2 2.3527 2.440 0.000 (0;000) ✗ 21/03/17
Zn(CO2)2 ICSD 109665 P2_1/c (14) ✔ 14 88 3 2.3536 2.354 0.000 (0;000) ✗ 27/01/17
Ba2SiSe4 ICSD 49750 P2_1/m (11) ✔ 14 96 1 2.3537 2.365 0.000 (0;000) ✗ 02/02/17
RbH3O2 ICSD 47115 Cmc2_1 (36) ✗ 12 48 1 2.3548 2.373 0.000 (0;000) ✗ 15/02/17
NbCl5 ICSD 66537 P2_1/c (14) ✔ 24 192 3 2.3549 2.360 0.000 (0;000) ✗ 04/08/17
NaNbO3 COD 1528864 Pmc2_1 (26) ✗ 20 160 3 2.3551 2.359 0.000 (0;000) ✗ 29/03/17
Na2GeO3 ICSD 16833 Ccm2_1 (36) ✗ 12 80 1 2.3556 2.502 0.000 (0;000) ✗ 06/10/16
BaTiO3 ICSD 73634 R3m (160) ✗ 5 40 3 2.3562 2.657 0.000 (0;000) ✗ 06/10/16
SrH2 COD 9009206 Cmcm (63) ✔ 6 24 1 2.3564 2.991 0.000 (0;000) ✗ 27/01/17
NaSbCl6 ICSD 36517 P4_2/m (84) ✔ 16 112 1 2.3564 2.356 0.000 (0;000) ✗ 02/02/17
K2TeS3 COD 2008727 P2_1/c (14) ✔ 24 168 1 2.3568 2.390 0.000 (0;000) ✗ 04/08/17
ZnO2 ICSD 60763 Pa3 (205) ✔ 12 96 3 2.3571 2.488 0.000 (0;000) ✗ 27/01/17
BaTiO3 ICSD 73636 R3m (160) ✗ 5 40 3 2.3575 2.655 0.000 (0;000) ✗ 06/10/16
Sc6WO12 COD 4001209 R-3 (148) ✔ 19 152 3 2.3576 2.422 0.000 (0;000) ✗ 02/02/17
TiO2 COD 9009087 Pbca (61) ✔ 24 192 3 2.3582 2.358 0.000 (0;000) ✗ 04/08/17
BaTiO3 ICSD 6102 R3m (160) ✗ 5 40 3 2.3587 2.658 0.000 (0;000) ✗ 06/10/16
Al2Si4O11 COD 1530328 P-1 (2) ✔ 17 88 2 2.3592 2.359 0.000 (0;000) ✗ 30/01/17
CsRb2PdF5 ICSD 35286 P4/mbm (127) ✔ 18 160 1 2.3602 2.364 0.000 (0;000) ✗ 02/02/17
Sr3Zr2O7 ICSD 23731 Pmmm (47) ✔ 24 160 3 2.3604 2.360 0.000 (0;000) ✗ 04/08/17
K2TeCl6 COD 1010188 I4/mmm (139) ✔ 9 66 1 2.3605 2.621 0.000 (0;000) ✗ 02/02/17
LiInS2 COD 1508502 Pna2_1 (33) ✗ 16 112 3 2.3606 2.361 0.000 (0;000) ✗ 29/03/17
NaNb3O8 COD 9012849 Ibam (72) ✔ 24 192 3 2.3615 2.429 0.000 (0;000) ✗ 04/08/17
Na3AuS2 COD 1510251 R-3c (167) ✔ 12 100 1 2.363 2.771 0.000 (0;000) ✗ 02/02/17
TaNO COD 1528855 C2/m (12) ✔ 12 96 3 2.3632 2.515 0.000 (0;000) ✗ 27/01/17
KAgC2 ICSD 410874 P4/mmm (123) ✔ 4 28 1 2.3634 2.681 0.000 (0;000) ✗ 27/01/17
BaTiO3 ICSD 73629 R3m (160) ✗ 5 40 3 2.3638 2.665 0.000 (0;000) ✗ 06/10/16
Al2ZnSe4 ICSD 25636 I-4 (82) ✗ 7 42 3 2.3639 2.364 0.000 (0;000) ✗ 06/10/16
NaClO4 COD 1010573 F-43m (216) ✗ 6 40 1 2.3653 2.366 0.000 (0;000) ✗ 15/02/17
Si3O7 COD 4124117 P1 (1) ✗ 20 108 1 2.3654 0.031 1.000 (0;000) ✗ 29/03/17
RbClO2 ICSD 162802 Cmcm (63) ✔ 8 56 1 2.3666 2.928 0.000 (0;000) ✗ 27/01/17
NaIO4 COD 2106357 I4_1/a (88) ✔ 12 80 1 2.3682 2.392 0.000 (0;000) ✗ 30/01/17
Al2CdS4 ICSD 43025 Fd-3m (227) ✔ 14 84 3 2.3691 2.369 0.000 (0;000) ✗ 30/01/17
RbNaS COD 9007814 P4/nmm (129) ✔ 6 48 1 2.3693 2.442 0.000 (0;000) ✗ 27/01/17
RbBS3 COD 1511306 P2_1/c (14) ✔ 20 120 1 2.3694 2.627 0.000 (0;000) ✗ 02/02/17
Cs2Mo(SO)2 ICSD 423982 C2/c (15) ✔ 14 112 1 2.3707 2.532 0.000 (0;000) ✗ 02/02/17
LiAu(S2O7)2 ICSD 422909 P-1 (2) ✔ 20 122 1 2.371 2.380 0.000 (0;000) ✗ 02/02/17
Rb2TaCuS4 ICSD 414271 Fddd (70) ✔ 16 132 1 2.3711 2.508 0.000 (0;000) ✗ 02/02/17
AgCSN ICSD 201359 Pnnm (58) ✔ 16 104 3 2.3726 2.373 0.000 (0;000) ✗ 02/02/17
V2Pb3O8 ICSD 29359 C2 (5) ✗ 13 116 3 2.3727 2.545 0.000 (0;000) ✗ 06/10/16
B6P ICSD 615157 R-3m (166) ✔ 14 46 3 2.3732 2.493 0.000 (0;000) ✗ 05/01/17
Ba2CuClO2 COD 2002176 R-3m (166) ✔ 6 50 2 2.3733 2.373 0.000 (0;000) ✗ 05/01/17
Rb4SnO4 COD 2010608 P-1 (2) ✔ 18 148 1 2.3745 2.444 0.000 (0;000) ✗ 02/02/17
BaTiO3 ICSD 73635 R3m (160) ✗ 5 40 3 2.3746 2.677 0.000 (0;000) ✗ 06/10/16
KNO2 ICSD 26764 Cm (8) ✗ 4 26 1 2.3753 2.619 0.000 (0;000) ✗ 06/10/16
Tl3PO4 ICSD 23474 P6_3 (173) ✗ 16 136 3 2.3754 2.680 0.000 (0;000) ✗ 29/03/17
Na5ReO6 ICSD 38382 C2/m (12) ✔ 12 96 1 2.3756 2.376 0.000 (0;000) ✗ 27/01/17
Sr2ZnS3 ICSD 422028 Pnma (62) ✔ 24 200 1 2.3757 2.376 0.000 (0;000) ✗ 04/08/17
BNCl2 ICSD 14276 R3 (146) ✗ 12 66 1 2.3764 2.454 0.000 (0;000) ✗ 06/10/16
H5C5N2 COD 2203306 P-1 (2) ✔ 24 70 1 2.377 2.436 0.000 (0;000) ✗ 04/08/17
CaC2 ICSD 290833 C2/m (12) ✔ 6 36 1 2.378 2.794 0.000 (0;000) ✗ 06/10/16
Na4TeO5 COD 1530933 P-1 (2) ✔ 20 144 1 2.3788 2.498 0.000 (0;000) ✗ 02/02/17
NaLiSe ICSD 67359 Pnma (62) ✔ 12 72 1 2.3789 2.379 0.000 (0;000) ✗ 02/02/17
BaTiO3 ICSD 73628 R3m (160) ✗ 5 40 3 2.3799 2.685 0.000 (0;000) ✗ 06/10/16
AgH3BrN COD 7103195 P2_1/m (11) ✔ 12 52 2 2.3806 2.588 0.000 (0;000) ✗ 05/01/17
GeS2 ICSD 167194 I-42d (122) ✗ 6 32 3 2.3808 2.735 0.000 (0;000) ✗ 06/10/16
Li2ZnSnS4 ICSD 419595 Pc (7) ✗ 16 112 3 2.3813 2.381 0.000 (0;000) ✗ 29/03/17
CsBiO2 ICSD 406564 C2/c (15) ✔ 8 72 1 2.3819 2.391 0.000 (0;000) ✗ 05/01/17
K2S COD 1011375 Fm-3m (225) ✔ 3 24 1 2.3821 2.580 0.000 (0;000) ✗ 27/01/17
Sr(ClO2)2 COD 2207380 Ccce (68) ✔ 14 96 1 2.3827 2.464 0.000 (0;000) ✗ 02/02/17
BaZnO2 ICSD 25559 P3_121 (152) ✗ 12 102 3 2.3832 2.392 0.000 (0;000) ✗ 06/10/16
CsClO2 ICSD 162803 Cmcm (63) ✔ 8 56 1 2.3848 2.676 0.000 (0;000) ✗ 27/01/17
Sn2OF5 COD 8101512 C2/m (12) ✔ 16 138 3 2.3848 2.974 0.000 (0;000) ✗ 02/02/17
CsCa2Ta3O10 ICSD 89011 P4/mmm (123) ✔ 16 128 2 2.3868 2.700 0.000 (0;000) ✗ 02/02/17
ZrO2 COD 1010912 P2_1/c (14) ✔ 12 64 3 2.3876 2.459 0.000 (0;000) ✗ 27/01/17
SiHg3(SF3)2 ICSD 23605 P-3m1 (164) ✔ 12 94 3 2.3878 2.718 0.000 (0;000) ✗ 27/01/17
Ba2ZrO4 ICSD 39707 I4/mmm (139) ✔ 7 48 3 2.3896 2.397 0.000 (0;000) ✗ 05/01/17
MgPb2WO6 ICSD 262284 Fm-3m (225) ✔ 10 88 3 2.3897 2.412 0.000 (0;000) ✗ 27/01/17
CaC2 ICSD 24074 C2/c (15) ✔ 6 36 1 2.3901 2.972 0.000 (0;000) ✗ 06/10/16
Tl3AsO4 ICSD 407561 P6_3 (173) ✗ 16 136 3 2.3911 2.619 0.000 (0;000) ✗ 21/03/17
K2SnCl6 COD 1010173 Fm-3m (225) ✔ 9 74 2 2.3917 2.392 0.000 (0;000) ✗ 02/02/17
RbCdH2I3O ICSD 809 Cc (9) ✗ 16 100 1 2.3934 2.394 0.000 (0;000) ✗ 22/03/17
Rb2AgI3 COD 1509392 Pnma (62) ✔ 24 200 1 2.3942 2.394 0.000 (0;000) ✗ 04/08/17
Te2SO7 ICSD 643 Pmn2_1 (31) ✗ 20 120 3 2.3945 2.421 0.000 (0;000) ✗ 29/03/17
MgSe ICSD 159398 F-43m (216) ✗ 2 16 3 2.3963 2.396 0.000 (0;000) ✗ 06/10/16
HgSeO3 ICSD 412548 P2_1/c (14) ✔ 20 144 3 2.3972 2.828 0.000 (0;000) ✗ 02/02/17
BH2S3N3F4 ICSD 201705 P1 (1) ✗ 13 66 1 2.3977 2.402 0.000 (0;000) ✗ 21/03/17
BrF3 ICSD 31689 Ccm2_1 (36) ✗ 8 56 1 2.3987 2.540 0.000 (0;000) ✗ 06/10/16
KBa4Au(CO)4 COD 2002878 I4/mmm (139) ✔ 14 100 2 2.399 2.399 0.000 (0;000) ✗ 02/02/17
NbCl3O ICSD 26471 P4_2/mnm (136) ✔ 20 160 2 2.3999 2.636 0.000 (0;000) ✗ 02/02/17
CsPbBr3 ICSD 28312 Pnma (62) ✔ 20 176 2 2.4002 2.502 0.000 (0;000) ✗ 02/02/17
Ca2Ga2O5 ICSD 51545 Ima2 (46) ✗ 18 152 3 2.4015 2.402 0.000 (0;000) ✗ 21/03/17
Ca2BrN ICSD 153105 R-3m (166) ✔ 4 32 1 2.4019 2.402 0.000 (0;000) ✗ 27/01/17
Sr2CuClO2 COD 2002855 P3_121 (152) ✗ 18 150 1 2.4019 2.593 0.000 (0;000) ✗ 22/03/17
Na2ZnS2 ICSD 33235 Ibam (72) ✔ 10 84 1 2.4022 2.402 0.000 (0;000) ✗ 02/02/17
KSiH3 ICSD 65954 Pnma (62) ✔ 20 64 1 2.4026 2.403 0.000 (0;000) ✗ 02/02/17
InBr2 ICSD 62240 Pnna (52) ✔ 24 216 1 2.4035 2.404 0.000 (0;000) ✗ 04/08/17
BaTiO3 ICSD 73631 R3m (160) ✗ 5 40 3 2.4036 2.716 0.000 (0;000) ✗ 06/10/16
KNbO3 ICSD 190923 R3m (160) ✗ 5 40 3 2.4036 3.267 0.000 (0;000) ✗ 06/10/16
AgIO4 COD 1509390 I4_1/a (88) ✔ 12 84 3 2.4042 2.526 0.000 (0;000) ✗ 16/03/17
HgSeO3 COD 2003568 Pnma (62) ✔ 20 144 3 2.4044 2.476 0.000 (0;000) ✗ 02/02/17
BaTiO3 ICSD 73633 R3m (160) ✗ 5 40 3 2.4045 2.715 0.000 (0;000) ✗ 06/10/16
NaTaO3 COD 1528865 Pnma (62) ✔ 20 160 3 2.4049 2.405 0.000 (0;000) ✗ 02/02/17
RuO4 ICSD 415306 C2/c (15) ✔ 10 80 1 2.4051 2.469 0.000 (0;000) ✗ 04/08/17
GeS2 COD 4123671 I-42d (122) ✗ 24 128 3 2.4056 2.410 0.000 (0;000) ✗ 04/08/17
Li2B2S5 COD 1510745 Cmcm (63) ✔ 18 84 1 2.4066 2.475 0.000 (0;000) ✗ 02/02/17
Cs2S COD 1525329 Pnma (62) ✔ 12 96 1 2.4068 2.446 0.000 (0;000) ✗ 02/02/17
Hg2SeO3 ICSD 412303 Cmc2_1 (36) ✗ 24 192 3 2.4068 2.445 0.000 (0;000) ✗ 04/08/17
CdCN2 COD 7222161 R-3m (166) ✔ 4 26 3 2.4076 2.566 0.000 (0;000) ✗ 27/01/17
ZnS ICSD 184810 P6_3mc (186) ✗ 4 36 3 2.4085 2.409 0.000 (0;000) ✗ 06/10/16
TeO2 ICSD 161691 P4_12_12 (92) ✗ 12 72 3 2.4087 2.488 0.000 (0;000) ✗ 06/10/16
HgBr COD 1011061 I4/mmm (139) ✔ 4 38 1 2.4091 2.524 0.000 (0;000) ✗ 02/02/17
K2AgI3 COD 2105343 Pnma (62) ✔ 24 200 1 2.4092 2.409 0.000 (0;000) ✗ 04/08/17
Zn(GaS2)2 ICSD 44886 I-4 (82) ✗ 7 62 3 2.4117 2.412 0.000 (0;000) ✗ 06/10/16
BaAl4Se7 COD 7015593 Pc (7) ✗ 24 128 3 2.4123 2.412 0.000 (0;000) ✗ 04/08/17
Cs6Cl4O ICSD 411634 R-3c (167) ✔ 22 176 1 2.4126 2.413 0.000 (0;000) ✗ 07/08/17
KAuF6 COD 1510146 R-3m (166) ✔ 8 62 1 2.4134 2.413 0.000 (0;000) ✗ 05/01/17
Zn(GaS2)2 ICSD 659772 I-4 (82) ✗ 7 62 3 2.4135 2.414 0.000 (0;000) ✗ 06/10/16
Rb3InS3 ICSD 23252 C2/m (12) ✔ 14 116 1 2.4145 2.447 0.000 (0;000) ✗ 02/02/17
Na3Ag3W2(OF)6 ICSD 262534 R-3 (148) ✔ 20 194 1 2.4158 2.564 0.000 (0;000) ✗ 11/04/17
Sr2CuBrO2 COD 2002429 R-3m (166) ✔ 6 50 1 2.4164 2.627 0.000 (0;000) ✗ 27/01/17
H6Pd(NO)4 ICSD 420291 P-1 (2) ✔ 15 68 1 2.4183 2.602 0.000 (0;000) ✗ 27/01/17
HgN3 ICSD 426345 P2_1/c (14) ✔ 16 108 3 2.4188 2.423 0.000 (0;000) ✗ 02/02/17
TiPCl9 ICSD 23137 P-1 (2) ✔ 22 160 1 2.419 2.450 0.000 (0;000) ✗ 07/08/17
Ga2O3 COD 2004987 C2/m (12) ✔ 10 88 3 2.4198 2.448 0.000 (0;000) ✗ 27/01/17
K2O2 COD 9008989 Cmce (64) ✔ 8 60 1 2.4198 2.510 0.000 (0;000) ✗ 27/01/17
CdHgC4(SeN)4 COD 2206021 I-4 (82) ✗ 14 84 3 2.4203 2.607 0.000 (0;000) ✗ 21/03/17
YN ICSD 161078 P6_3mc (186) ✗ 4 32 3 2.4206 2.723 0.000 (0;000) ✗ 06/10/16
Li9S3N ICSD 240749 Pm-3m (221) ✔ 13 50 1 2.4212 2.421 0.000 (0;000) ✗ 27/01/17
K2RbPdF5 ICSD 33887 P4/mbm (127) ✔ 18 160 1 2.4213 2.423 0.000 (0;000) ✗ 02/02/17
AlAgO2 COD 1509222 P6_3/mmc (194) ✔ 8 52 3 2.4214 2.600 0.000 (0;000) ✗ 05/01/17
PbWO4 COD 9007617 P2_1/c (14) ✔ 24 264 3 2.4216 2.447 0.000 (0;000) ✗ 04/08/17
Li2CdGeS4 COD 4302973 Pmn2_1 (31) ✗ 16 92 2 2.422 2.422 0.000 (0;000) ✗ 22/03/17
BaTiO3 ICSD 73630 R3m (160) ✗ 5 40 3 2.4221 2.737 0.000 (0;000) ✗ 06/10/16
Cs2GeS4 COD 2202360 C2/m (12) ✔ 14 92 1 2.4232 2.451 0.000 (0;000) ✗ 02/02/17
ScN ICSD 236779 F-43m (216) ✗ 2 16 3 2.424 2.424 0.000 (0;000) ✗ 06/10/16
GeBi2O5 COD 1526265 Cmc2_1 (36) ✗ 16 128 3 2.4247 2.535 0.000 (0;000) ✗ 21/03/17
BI3 ICSD 173375 P2_1/m (11) ✔ 8 48 1 2.4262 2.516 0.000 (0;000) ✗ 06/10/16
YI3 ICSD 170773 R-3 (148) ✔ 8 64 2 2.4263 2.773 0.000 (0;000) ✗ 06/10/16
BI3 COD 1511187 P6_3/m (176) ✔ 8 48 1 2.4263 2.517 0.000 (0;000) ✗ 02/02/17
AgClO4 COD 1010574 F-43m (216) ✗ 6 42 1 2.4263 2.431 0.000 (0;000) ✗ 15/02/17
YI3 COD 2206574 R-3 (148) ✔ 8 64 2 2.4264 2.773 0.000 (0;000) ✗ 02/02/17
Zn(GaS2)2 ICSD 656808 I-4 (82) ✗ 7 62 3 2.427 2.427 0.000 (0;000) ✗ 06/10/16
KInBr3 ICSD 50510 P-3 (147) ✔ 20 172 1 2.4275 2.428 0.000 (0;000) ✗ 02/02/17
BaZnO2 ICSD 25812 P3_121 (152) ✗ 12 102 3 2.4305 2.431 0.000 (0;000) ✗ 06/10/16
CaTe3O8 COD 9000671 C2/c (15) ✔ 24 152 3 2.4307 2.514 0.000 (0;000) ✗ 04/08/17
Hg2Mo2O7 ICSD 51511 P2/c (13) ✔ 22 188 3 2.434 2.643 0.000 (0;000) ✗ 07/08/17
Ti(NCl)3 COD 1528192 P-1 (2) ✔ 14 96 1 2.4342 2.479 0.000 (0;000) ✗ 02/02/17
AlPO4 COD 1010142 I-4 (82) ✗ 6 32 3 2.4343 2.620 0.000 (0;000) ✗ 15/02/17
TlCl2 ICSD 4031 I4_1/a (88) ✔ 12 108 1 2.4354 2.536 0.000 (0;000) ✗ 02/02/17
Sr2GeS4 ICSD 23420 P2_1/m (11) ✔ 14 96 1 2.4357 2.493 0.000 (0;000) ✗ 02/02/17
RbLiO ICSD 65170 Pnma (62) ✔ 12 72 1 2.4363 2.466 0.000 (0;000) ✗ 02/02/17
NaCa2IO6 ICSD 425448 P2_1/c (14) ✔ 20 144 1 2.4371 2.611 0.000 (0;000) ✗ 02/02/17
SNCl ICSD 30558 P2_1/m (11) ✔ 18 108 1 2.4393 2.446 0.000 (0;000) ✗ 02/02/17
CsSb4F13 COD 5910189 I4/m (87) ✔ 18 120 3 2.4393 2.443 0.000 (0;000) ✗ 22/03/17
NaNO2 ICSD 280361 Imm2 (44) ✗ 4 26 1 2.4411 2.622 0.000 (0;000) ✗ 06/10/16
ZnHgC4(SeN)4 ICSD 188764 I-4 (82) ✗ 14 84 3 2.4413 2.735 0.000 (0;000) ✗ 21/03/17
ZnBr2 COD 9011540 R-3m (166) ✔ 3 26 2 2.4418 2.445 0.000 (0;000) ✗ 27/01/17
SrS COD 9008728 Fm-3m (225) ✔ 2 16 1 2.4425 2.896 0.000 (0;000) ✗ 27/01/17
PbCSNCl ICSD 409835 Pnma (62) ✔ 20 144 2 2.4437 2.444 0.000 (0;000) ✗ 02/02/17
TeO2 ICSD 166847 P2_1/m (11) ✔ 12 72 3 2.4449 2.506 0.000 (0;000) ✗ 06/10/16
Ba2Li3TaN4 ICSD 75031 C2/c (15) ✔ 20 124 1 2.4459 2.543 0.000 (0;000) ✗ 02/02/17
TlGaI4 ICSD 419824 P2_1/c (14) ✔ 24 216 1 2.4465 2.523 0.000 (0;000) ✗ 04/08/17
SnC2(SN)2 ICSD 201193 P-1 (2) ✔ 14 88 1 2.4482 2.511 0.000 (0;000) ✗ 02/02/17
Rb4CO4 ICSD 245429 P-43m (215) ✗ 9 64 3 2.4483 2.448 0.000 (0;000) ✗ 06/10/16
K3VCO8 ICSD 60813 Cm (8) ✗ 13 92 1 2.4487 2.516 0.000 (0;000) ✗ 15/02/17
TiBr4 ICSD 22103 P2_1/c (14) ✔ 20 160 1 2.4494 2.474 0.000 (0;000) ✗ 07/08/17
BeSe ICSD 183374 F-43m (216) ✗ 2 10 1 2.4499 4.314 0.000 (0;000) ✗ 06/10/16
MgPS3 ICSD 642729 C2/m (12) ✔ 10 66 2 2.4505 2.456 0.000 (0;000) ✗ 02/02/17
KLiSe ICSD 67277 P4/nmm (129) ✔ 6 36 1 2.4508 2.488 0.000 (0;000) ✗ 27/01/17
NaNO2 ICSD 68707 Imm2 (44) ✗ 4 26 1 2.4546 2.635 0.000 (0;000) ✗ 06/10/16
RbPb2Br5 COD 1010211 I4/mcm (140) ✔ 16 144 2 2.4547 2.566 0.000 (0;000) ✗ 02/02/17
MgPdF6 ICSD 26163 R-3 (148) ✔ 8 70 3 2.4552 2.455 0.000 (0;000) ✗ 27/01/17
PAuCl4 COD 1510095 P2_1/c (14) ✔ 24 176 1 2.4563 2.502 0.000 (0;000) ✗ 04/08/17
SrC2 ICSD 91051 C2/c (15) ✔ 6 36 1 2.457 2.716 0.000 (0;000) ✗ 06/10/16
SrC2 COD 1522127 C2/c (15) ✔ 6 36 1 2.457 2.716 0.000 (0;000) ✗ 27/01/17
InPS4 ICSD 1699 I-4 (82) ✗ 6 42 3 2.4577 2.557 0.000 (0;000) ✗ 06/10/16
BaGa4S7 COD 1518018 Pmn2_1 (31) ✗ 24 208 3 2.4589 2.461 0.000 (0;000) ✗ 04/08/17
Rb3PdF5 ICSD 35285 P4/mbm (127) ✔ 18 160 1 2.4592 2.462 0.000 (0;000) ✗ 02/02/17
KNbO3 ICSD 9534 R3m (160) ✗ 5 40 3 2.4592 3.318 0.000 (0;000) ✗ 06/10/16
BC2N ICSD 191798 P22_12 (17) ✗ 8 32 3 2.4617 2.462 0.000 (0;000) ✗ 06/10/16
Cd2BiAsO6 ICSD 154151 Cmc2_1 (36) ✗ 20 160 3 2.4619 2.493 0.000 (0;000) ✗ 21/03/17
Ga4GeO8 COD 1001682 C2/m (12) ✔ 13 104 3 2.4626 2.475 0.000 (0;000) ✗ 27/01/17
CaC2 ICSD 66663 P-1 (2) ✔ 6 36 1 2.4633 3.084 0.000 (0;000) ✗ 06/10/16
Cs2PdF6 ICSD 28674 Fm-3m (225) ✔ 9 78 1 2.4653 2.524 0.000 (0;000) ✗ 27/01/17
YTaO4 COD 1530908 P2/c (13) ✔ 12 96 3 2.4657 2.660 0.000 (0;000) ✗ 27/01/17
ClF ICSD 406442 P2_1/c (14) ✔ 8 56 1 2.4667 2.494 0.000 (0;000) ✗ 27/01/17
Ba2Li3NbN4 ICSD 75516 C2/c (15) ✔ 20 124 1 2.4675 2.594 0.000 (0;000) ✗ 02/02/17
CsNO2 ICSD 50327 P3_121 (152) ✗ 12 78 1 2.4684 2.661 0.000 (0;000) ✗ 28/10/16
NbBiO4 COD 1524671 P-1 (2) ✔ 24 208 3 2.4687 2.469 0.000 (0;000) ✗ 04/08/17
Sr2BBrN2 ICSD 261795 R-3m (166) ✔ 6 40 1 2.4699 2.958 0.000 (0;000) ✗ 05/01/17
CSeN COD 4300548 P2_12_12_1 (19) ✗ 24 120 1 2.4712 2.543 0.000 (0;000) ✗ 04/08/17
YAgO2 COD 1509496 P6_3/mmc (194) ✔ 8 68 3 2.4715 2.676 0.000 (0;000) ✗ 05/01/17
RbSb4F13 COD 5910267 I4/m (87) ✔ 18 120 1 2.4717 2.485 0.000 (0;000) ✗ 22/03/17
Ga2O3 ICSD 166198 C2/m (12) ✔ 10 88 3 2.4727 2.475 0.000 (0;000) ✗ 06/10/16
Sn2P2O7 COD 4000543 P2_1/c (14) ✔ 22 160 3 2.4732 2.493 0.000 (0;000) ✗ 04/08/17
Ba(AuF4)2 COD 1510360 I-4 (82) ✗ 22 176 1 2.4753 2.477 0.000 (0;000) ✗ 07/08/17
Cs2AgI3 COD 2310064 Pnma (62) ✔ 24 200 1 2.4755 2.476 0.000 (0;000) ✗ 04/08/17
CsSbO2 COD 2007633 C2/c (15) ✔ 8 52 1 2.476 2.493 0.000 (0;000) ✗ 27/01/17
Hg2SeO3 ICSD 412304 Ibam (72) ✔ 24 192 3 2.4767 2.477 0.000 (0;000) ✗ 04/08/17
S4I2O15 ICSD 427675 P1 (1) ✗ 21 128 2 2.4767 2.599 0.000 (0;000) ✗ 04/08/17
TlTe ICSD 653092 I4/mcm (140) ✔ 16 152 3 2.4777 0.047 1.000 (0;000) ✗ 02/02/17
Na2S COD 2106221 P6_3/mmc (194) ✔ 6 48 1 2.4792 2.479 0.000 (0;000) ✗ 27/01/17
K2PdF6 ICSD 27486 P-3m1 (164) ✔ 9 78 1 2.4797 2.491 0.000 (0;000) ✗ 27/01/17
NaNO2 ICSD 200411 Im2m (44) ✗ 4 26 1 2.4821 2.663 0.000 (0;000) ✗ 06/10/16
CaCl2 ICSD 86209 Pnma (62) ✔ 12 96 1 2.4831 2.483 0.000 (0;000) ✗ 02/02/17
Cs2LiNbS4 ICSD 414187 P-1 (2) ✔ 16 116 1 2.4841 2.594 0.000 (0;000) ✗ 02/02/17
MgSeO4 ICSD 109070 Cmcm (63) ✔ 12 80 3 2.4843 2.555 0.000 (0;000) ✗ 27/01/17
Na2S COD 9009064 Fm-3m (225) ✔ 3 24 1 2.4848 2.485 0.000 (0;000) ✗ 27/01/17
Li2PtF6 COD 2239770 P4_2/mnm (136) ✔ 18 116 1 2.4866 2.518 0.000 (0;000) ✗ 27/01/17
Na2Ti3O7 COD 2310331 P2_1/m (11) ✔ 24 192 1 2.4871 2.682 0.000 (0;000) ✗ 04/08/17
CsAgC2 ICSD 410873 P4_2/mmc (131) ✔ 8 56 2 2.4888 2.489 0.000 (0;000) ✗ 02/02/17
Tl2TeCl6 COD 1010192 Fm-3m (225) ✔ 9 74 2 2.4889 2.708 0.000 (0;000) ✗ 02/02/17
SrTe3O8 COD 2213325 P4_2/m (84) ✔ 24 152 3 2.4893 2.556 0.000 (0;000) ✗ 04/08/17
KV3O8 ICSD 29075 P2_1/m (11) ✔ 24 192 2 2.4896 2.547 0.000 (0;000) ✗ 04/08/17
MgCl2 ICSD 51247 P-1 (2) ✔ 6 48 3 2.4906 2.491 0.000 (0;000) ✗ 06/10/16
Rb2SeCl6 COD 1010221 Fm-3m (225) ✔ 9 66 1 2.4927 2.728 0.000 (0;000) ✗ 02/02/17
In2PO5 ICSD 413858 P-1 (2) ✔ 16 122 3 2.4935 2.711 0.000 (0;000) ✗ 27/01/17
AuCClO ICSD 33526 Cmcm (63) ✔ 8 56 2 2.4939 2.899 0.000 (0;000) ✗ 27/01/17
KNO2 ICSD 86117 P2_1/c (14) ✔ 16 104 1 2.4941 2.579 0.000 (0;000) ✗ 02/02/17
NaNO2 ICSD 82857 Im2m (44) ✗ 4 26 1 2.4951 2.675 0.000 (0;000) ✗ 06/10/16
SrHgO2 ICSD 69739 P3_2 (145) ✗ 12 102 2 2.4955 2.570 0.000 (0;000) ✗ 06/10/16
Cs3As2Cl9 ICSD 45733 P321 (150) ✗ 14 100 2 2.4958 2.496 0.000 (0;000) ✗ 04/08/17
NaBS2 COD 1510938 R-3c (167) ✔ 24 144 1 2.4962 2.496 0.000 (0;000) ✗ 04/08/17
Pb3SeO5 COD 9015251 Cmc2_1 (36) ✗ 18 156 3 2.4974 2.498 0.000 (0;000) ✗ 29/03/17
Ca3(AlN2)2 COD 4321679 C2/c (15) ✔ 18 112 2 2.5001 2.500 0.000 (0;000) ✗ 30/01/17
Zn(GaS2)2 ICSD 635295 I-4 (82) ✗ 7 62 3 2.5013 2.501 0.000 (0;000) ✗ 06/10/16
BaTiO3 ICSD 186462 R3m (160) ✗ 5 40 3 2.5037 2.909 0.000 (0;000) ✗ 06/10/16
V2Zn2O7 ICSD 2886 C2/c (15) ✔ 22 184 3 2.5041 2.607 0.000 (0;000) ✗ 07/08/17
Rb2TeCl6 COD 1010232 Fm-3m (225) ✔ 9 66 2 2.5055 2.733 0.000 (0;000) ✗ 02/02/17
Ca3Ti2O7 ICSD 63705 Cmc2_1 (36) ✗ 24 192 2 2.5075 2.512 0.000 (0;000) ✗ 04/08/17
V2Pb3O8 ICSD 69800 C2 (5) ✗ 13 116 3 2.5077 2.573 0.000 (0;000) ✗ 06/10/16
CdMoO4 COD 1001800 I4_1/a (88) ✔ 12 100 3 2.5086 2.554 0.000 (0;000) ✗ 27/01/17
K2B(CN)3 ICSD 262588 Fdd2 (43) ✗ 18 96 1 2.5094 2.511 0.000 (0;000) ✗ 21/03/17
Zn(GaS2)2 ICSD 635306 I-4 (82) ✗ 7 62 3 2.5119 2.512 0.000 (0;000) ✗ 06/10/16
BaPb2IF5 ICSD 411088 P4/nmm (129) ✔ 18 160 1 2.5121 2.681 0.000 (0;000) ✗ 02/02/17
GaAsO4 ICSD 423937 C222_1 (20) ✗ 12 84 3 2.5122 2.512 0.000 (0;000) ✗ 06/10/16
LiTl ICSD 262068 Cmce (64) ✔ 24 192 3 2.5122 0.894 1.000 (0;000) ✗ 07/08/17
NaNO2 ICSD 174026 Im2m (44) ✗ 4 26 1 2.5123 2.696 0.000 (0;000) ✗ 06/10/16
Pb4IF7 ICSD 36337 Cmcm (63) ✔ 24 224 2 2.5134 2.683 0.000 (0;000) ✗ 04/08/17
TlCO2 COD 4308986 P2_1/c (14) ✔ 16 116 2 2.5146 2.589 0.000 (0;000) ✗ 02/02/17
AlPS4 ICSD 428185 I222 (23) ✗ 6 32 1 2.5158 2.670 0.000 (0;000) ✗ 06/10/16
TiO2 ICSD 75179 Pnma (62) ✔ 12 96 3 2.5159 2.569 0.000 (0;000) ✗ 27/01/17
NaNO2 ICSD 24626 Im2m (44) ✗ 4 26 1 2.5161 2.698 0.000 (0;000) ✗ 06/10/16
Tl4GeS4 COD 8103540 Cc (9) ✗ 18 160 3 2.5167 0.018 1.000 (0;000) ✗ 22/03/17
Cd(AsO3)2 COD 9007893 P-31m (162) ✔ 9 58 3 2.5174 2.843 0.000 (0;000) ✗ 05/01/17
LiNbWO6 COD 1000069 P-42_1m (113) ✗ 18 132 1 2.5176 2.607 0.000 (0;000) ✗ 29/03/17
AgCN ICSD 85783 R3m (160) ✗ 3 20 1 2.5177 3.110 0.000 (0;000) ✗ 06/10/16
KGaI4 ICSD 400816 P2_1/c (14) ✔ 24 200 1 2.5195 2.585 0.000 (0;000) ✗ 04/08/17
CsI COD 9016261 Pnma (62) ✔ 8 64 1 2.5201 2.520 0.000 (0;000) ✗ 02/02/17
F2 COD 9012471 C2/m (12) ✔ 2 14 1 2.5205 2.521 0.000 (0;000) ✗ 27/01/17
NaGeSbO5 ICSD 39646 C2/c (15) ✔ 16 96 3 2.5211 2.521 0.000 (0;000) ✗ 22/03/17
K2TaAgS4 ICSD 84294 Fddd (70) ✔ 16 132 1 2.5212 2.523 0.000 (0;000) ✗ 30/01/17
HgH2NCl ICSD 92480 Pmma (51) ✔ 10 52 2 2.5214 2.604 0.000 (0;000) ✗ 27/01/17
TiO2 COD 2310486 Pbcn (60) ✔ 12 96 3 2.5234 2.523 0.000 (0;000) ✗ 27/01/17
Rb3TlF6 COD 1529657 I4/mmm (139) ✔ 10 82 1 2.5253 3.189 0.000 (0;000) ✗ 02/02/17
InPS4 ICSD 640195 I-4 (82) ✗ 6 42 3 2.5278 2.613 0.000 (0;000) ✗ 06/10/16
NaNO2 ICSD 76000 Im2m (44) ✗ 4 26 1 2.5278 2.709 0.000 (0;000) ✗ 06/10/16
Y2S2O COD 4030480 P2_1/c (14) ✔ 20 160 3 2.5291 2.592 0.000 (0;000) ✗ 02/02/17
ZnGeO3 ICSD 33722 R-3 (148) ✔ 10 68 3 2.5296 2.693 0.000 (0;000) ✗ 27/01/17
Ga3BN4 ICSD 187048 P-43m (215) ✗ 8 62 3 2.5318 2.532 0.000 (0;000) ✗ 06/10/16
SbN9 COD 7106121 P-1 (2) ✔ 20 100 1 2.5331 2.586 0.000 (0;000) ✗ 02/02/17
Na2W4O13 ICSD 6141 P-1 (2) ✔ 19 208 3 2.5331 2.834 0.000 (0;000) ✗ 11/04/17
Ca(BeN)2 ICSD 413357 I4/mcm (140) ✔ 10 56 1 2.5333 2.668 0.000 (0;000) ✗ 05/01/17
NaNO2 ICSD 15400 Imm2 (44) ✗ 4 26 1 2.5342 2.717 0.000 (0;000) ✗ 06/10/16
AlInI4 ICSD 418802 P2_1/m (11) ✔ 24 176 2 2.5366 2.621 0.000 (0;000) ✗ 04/08/17
PbBr2 COD 9009196 Pnma (62) ✔ 12 112 2 2.537 2.640 0.000 (0;000) ✗ 02/02/17
NaNO2 ICSD 43485 Imm2 (44) ✗ 4 26 1 2.5378 2.720 0.000 (0;000) ✗ 06/10/16
VBiO4 COD 9011741 I4_1/amd (141) ✔ 12 104 3 2.5386 2.543 0.000 (0;000) ✗ 05/01/17
Cl2 COD 9013120 Cmce (64) ✔ 4 28 1 2.5394 2.567 0.000 (0;000) ✗ 27/01/17
TlCdBr3 ICSD 39808 Pnma (62) ✔ 20 184 2 2.5394 2.711 0.000 (0;000) ✗ 02/02/17
NaNO2 ICSD 9265 Imm2 (44) ✗ 4 26 1 2.5403 2.720 0.000 (0;000) ✗ 06/10/16
NaCO2 COD 8103690 P2_1/c (14) ✔ 16 100 1 2.5411 2.613 0.000 (0;000) ✗ 27/01/17
C2S2O COD 2008373 P2_1/c (14) ✔ 20 104 2 2.5413 2.574 0.000 (0;000) ✗ 02/02/17
NaClO2 ICSD 22 C2/c (15) ✔ 8 56 1 2.5433 2.543 0.000 (0;000) ✗ 27/01/17
LiSbO3 COD 1000141 Pnna (52) ✔ 20 104 3 2.5446 2.545 0.000 (0;000) ✗ 02/02/17
Rb3GaO3 ICSD 2270 C2/m (12) ✔ 14 116 3 2.5449 2.545 0.000 (0;000) ✗ 02/02/17
As2O3 COD 4513294 P2_1 (4) ✗ 20 112 3 2.5456 2.777 0.000 (0;000) ✗ 21/03/17
Ba2H3I ICSD 423520 P-3m1 (164) ✔ 6 30 1 2.5457 2.546 0.000 (0;000) ✗ 21/03/17
BaHgO2 ICSD 74076 R-3m (166) ✔ 4 34 1 2.5459 2.704 0.000 (0;000) ✗ 05/01/17
LiAuF6 ICSD 165209 R-3 (148) ✔ 8 56 1 2.5517 2.557 0.000 (0;000) ✗ 05/01/17
InClO ICSD 24058 Pmmn (59) ✔ 6 52 2 2.552 2.827 0.000 (0;000) ✗ 27/01/17
NbCl4F ICSD 26155 P-1 (2) ✔ 24 192 1 2.5534 2.559 0.000 (0;000) ✗ 04/08/17
YSF COD 1521891 P6_3/mmc (194) ✔ 12 96 3 2.5558 3.299 0.000 (0;000) ✗ 02/02/17
CaHgO2 ICSD 80717 R-3m (166) ✔ 4 34 2 2.556 2.950 0.000 (0;000) ✗ 27/01/17
K3SbO4 COD 2012333 P2/c (13) ✔ 16 112 3 2.5564 2.613 0.000 (0;000) ✗ 27/01/17
AlCuCl4 ICSD 35050 P-42c (112) ✗ 12 84 3 2.5564 2.657 0.000 (0;000) ✗ 16/03/17
KHgC2IN2 ICSD 18198 Cmcm (63) ✔ 14 92 1 2.5564 2.847 0.000 (0;000) ✗ 02/02/17
Ca2SiO4 ICSD 182054 P6_3mc (186) ✗ 14 96 1 2.5583 2.558 0.000 (0;000) ✗ 15/02/17
AgCO2 COD 2010419 P2_1/c (14) ✔ 16 108 3 2.5594 2.628 0.000 (0;000) ✗ 27/01/17
MgCrO4 COD 1008086 C2/m (12) ✔ 24 192 3 2.5602 2.610 0.000 (0;000) ✗ 04/08/17
AlBiO3 ICSD 171708 R3c (161) ✗ 10 52 3 2.5618 2.727 0.000 (0;000) ✗ 06/10/16
TiI2O7 ICSD 424632 Cmc2_1 (36) ✗ 20 136 1 2.5622 2.680 0.000 (0;000) ✗ 29/03/17
SrBiIO2 ICSD 97510 Cmcm (63) ✔ 10 88 1 2.5655 2.661 0.000 (0;000) ✗ 02/02/17
SiBi2O5 ICSD 30995 Cmc2_1 (36) ✗ 16 128 3 2.5658 2.632 0.000 (0;000) ✗ 21/03/17
Y3TaO7 COD 1525169 C222_1 (20) ✗ 22 176 3 2.5659 2.566 0.000 (0;000) ✗ 07/08/17
Y2Si2O7 COD 9009430 P2_1/m (11) ✔ 22 144 3 2.5668 2.624 0.000 (0;000) ✗ 04/08/17
K2O2 ICSD 180559 Ccme (64) ✔ 8 60 1 2.5679 2.644 0.000 (0;000) ✗ 06/10/16
BaTiO3 ICSD 186463 R3m (160) ✗ 5 40 3 2.5683 2.945 0.000 (0;000) ✗ 06/10/16
Ba(CO)4 ICSD 412830 I4/mcm (140) ✔ 18 100 1 2.5686 2.652 0.000 (0;000) ✗ 02/02/17
Ca2PN3 ICSD 72532 Cmce (64) ✔ 24 160 1 2.5689 2.623 0.000 (0;000) ✗ 04/08/17
Sn2OF2 COD 2106752 C2/m (12) ✔ 10 96 1 2.5696 2.686 0.000 (0;000) ✗ 27/01/17
Sr3Sn2O7 COD 1521094 Cmcm (63) ✔ 24 200 2 2.5702 2.599 0.000 (0;000) ✗ 04/08/17
TlIO3 ICSD 62106 R3m (160) ✗ 5 38 1 2.5705 2.612 0.000 (0;000) ✗ 06/10/16
Sr2TaN3 COD 1531138 C2/c (15) ✔ 24 192 1 2.5714 2.602 0.000 (0;000) ✗ 04/08/17
NO2 ICSD 28331 P2_1/c (14) ✔ 12 68 1 2.5717 2.624 0.000 (0;000) ✗ 27/01/17
AsS2NF6 ICSD 62120 C2/m (12) ✔ 10 64 1 2.5737 2.574 0.000 (0;000) ✗ 05/01/17
SnH8(NCl3)2 COD 9013381 Fm-3m (225) ✔ 17 74 1 2.5738 2.574 0.000 (0;000) ✗ 02/02/17
RbC2I3N2 ICSD 35411 Pmmn (59) ✔ 16 96 1 2.5739 2.800 0.000 (0;000) ✗ 02/02/17
K3ReC4(N2O)2 ICSD 16121 P-1 (2) ✔ 14 90 1 2.574 2.574 0.000 (0;000) ✗ 02/02/17
Na5TaO5 ICSD 72297 C2/c (15) ✔ 22 176 1 2.5752 2.575 0.000 (0;000) ✗ 07/08/17
TePbO3 ICSD 61343 P4_1 (76) ✗ 20 152 3 2.5754 2.799 0.000 (0;000) ✗ 29/03/17
C COD 9012241 Im-3m (229) ✔ 8 32 3 2.5767 3.974 0.000 (0;000) ✗ 27/01/17
H2CI2 COD 1504381 Fmm2 (42) ✗ 5 20 1 2.5781 2.777 0.000 (0;000) ✗ 15/02/17
C3N4 ICSD 83264 P-43m (215) ✗ 7 32 3 2.5786 2.579 0.000 (0;000) ✗ 06/10/16
Na3BS3 COD 1511253 C2/c (15) ✔ 14 96 1 2.5788 2.726 0.000 (0;000) ✗ 02/02/17
KC4N3 ICSD 77046 P-1 (2) ✔ 16 80 1 2.5789 2.580 0.000 (0;000) ✗ 02/02/17
B6As ICSD 107916 R-3m (166) ✔ 14 46 3 2.5791 2.612 0.000 (0;000) ✗ 05/01/17
NaNO2 ICSD 174034 Imm2 (44) ✗ 4 26 1 2.5796 2.742 0.000 (0;000) ✗ 06/10/16
HgSeO3 ICSD 412547 P2_1/c (14) ✔ 20 144 3 2.5801 2.712 0.000 (0;000) ✗ 02/02/17
Ge2N2O ICSD 200848 Cmc2_1 (36) ✗ 10 48 3 2.5818 2.896 0.000 (0;000) ✗ 06/10/16
Rb2TaAgS4 ICSD 84295 Fddd (70) ✔ 16 132 1 2.5821 2.591 0.000 (0;000) ✗ 30/01/17
ZrO2 COD 1525705 P4_2/nmc (137) ✔ 6 32 3 2.5848 2.591 0.000 (0;000) ✗ 27/01/17
AlCuCl4 COD 4322713 Pna2_1 (33) ✗ 24 168 3 2.5852 2.585 0.000 (0;000) ✗ 04/08/17
K2LiAlH6 ICSD 245318 R-3m (166) ✔ 20 60 1 2.586 2.909 0.000 (0;000) ✗ 30/01/17
Pb2SO5 ICSD 30627 C2/m (12) ✔ 16 128 3 2.5863 2.595 0.000 (0;000) ✗ 02/02/17
K4SnO4 COD 2106386 P-1 (2) ✔ 18 148 1 2.5879 2.661 0.000 (0;000) ✗ 02/02/17
SbS2NF6 ICSD 170871 C2/m (12) ✔ 10 64 1 2.5886 2.589 0.000 (0;000) ✗ 27/01/17
Cs2TaAgS4 ICSD 84296 Fddd (70) ✔ 16 132 1 2.5887 2.703 0.000 (0;000) ✗ 16/03/17
Li8PbO6 COD 1525399 R-3 (148) ✔ 15 74 2 2.5919 2.632 0.000 (0;000) ✗ 27/01/17
Na(CO)2 ICSD 154355 P2_1/c (14) ✔ 20 116 1 2.5928 2.593 0.000 (0;000) ✗ 02/02/17
K2B2S7 COD 1510733 C2/c (15) ✔ 22 132 2 2.594 2.718 0.000 (0;000) ✗ 04/08/17
Rb2PtF6 ICSD 35108 P-3m1 (164) ✔ 9 70 1 2.5945 2.606 0.000 (0;000) ✗ 27/01/17
CsH ICSD 53235 Pm-3m (221) ✔ 2 10 3 2.5955 2.596 0.000 (0;000) ✗ 27/01/17
CsNaS ICSD 41323 P4/nmm (129) ✔ 6 48 1 2.5959 2.748 0.000 (0;000) ✗ 27/01/17
BiAsO4 ICSD 30636 I4_1/a (88) ✔ 12 88 3 2.5964 2.603 0.000 (0;000) ✗ 29/11/16
Na4CO4 ICSD 245411 C2 (5) ✗ 9 64 2 2.5966 2.872 0.000 (0;000) ✗ 06/10/16
Hg3Bi2(SCl4)2 ICSD 237618 C2/m (12) ✔ 15 134 3 2.5966 2.597 0.000 (0;000) ✗ 02/02/17
FePb2(CN)6 ICSD 51493 P-3 (147) ✔ 15 90 3 2.5974 2.672 0.000 (0;000) ✗ 02/02/17
Sn(CO2)2 ICSD 150101 C2/c (15) ✔ 14 92 3 2.598 2.613 0.000 (0;000) ✗ 27/01/17
Cs2SeCl6 COD 1010222 Fm-3m (225) ✔ 9 66 1 2.598 2.786 0.000 (0;000) ✗ 02/02/17
SiS2 COD 1010409 Ibam (72) ✔ 6 32 1 2.6018 2.896 0.000 (0;000) ✗ 27/01/17
Cs2TeCl6 COD 1010233 Fm-3m (225) ✔ 9 66 1 2.604 2.793 0.000 (0;000) ✗ 02/02/17
PbSeO3 COD 1526029 P2_1/m (11) ✔ 10 76 2 2.6043 2.604 0.000 (0;000) ✗ 27/01/17
BaTi(BO3)2 ICSD 97972 R-3 (148) ✔ 10 64 2 2.6064 2.607 0.000 (0;000) ✗ 05/01/17
GeBr2 COD 8103585 P2_1/c (14) ✔ 24 144 2 2.608 2.634 0.000 (0;000) ✗ 04/08/17
Zn(GaO2)2 ICSD 81109 Fd-3m (227) ✔ 14 124 3 2.6084 2.793 0.000 (0;000) ✗ 27/01/17
BiAsO4 COD 9007425 I4_1/a (88) ✔ 12 88 3 2.6084 2.614 0.000 (0;000) ✗ 05/01/17
K3GeS3 ICSD 636776 C2/m (12) ✔ 14 98 1 2.6088 2.649 0.000 (0;000) ✗ 02/02/17
TaTeCl9 ICSD 410947 P-1 (2) ✔ 22 164 1 2.6089 2.669 0.000 (0;000) ✗ 04/08/17
V2Cd2O7 ICSD 62081 C2/m (12) ✔ 11 92 3 2.6098 2.817 0.000 (0;000) ✗ 22/03/17
KTlCl4 COD 1527421 I4_1/a (88) ✔ 12 100 1 2.6111 2.611 0.000 (0;000) ✗ 02/02/17
BiH(SeO3)2 ICSD 251033 Cc (9) ✗ 20 128 2 2.613 2.871 0.000 (0;000) ✗ 21/03/17
CdHClO ICSD 91087 P6_3mc (186) ✗ 8 52 2 2.6132 2.613 0.000 (0;000) ✗ 15/02/17
Cs2PtF6 ICSD 35107 P-3m1 (164) ✔ 9 70 1 2.6133 2.633 0.000 (0;000) ✗ 27/01/17
Zr(MoO4)2 COD 2103589 C2/m (12) ✔ 11 80 3 2.6175 2.799 0.000 (0;000) ✗ 27/01/17
Y6WO12 COD 1525900 R-3 (148) ✔ 19 152 3 2.6184 2.679 0.000 (0;000) ✗ 02/02/17
ScVO4 COD 4501809 I4_1/amd (141) ✔ 12 96 3 2.6191 2.619 0.000 (0;000) ✗ 27/01/17
V2Cd2O7 COD 2238816 P-1 (2) ✔ 22 184 3 2.6196 2.644 0.000 (0;000) ✗ 07/08/17
MoPbO4 COD 9009404 I4_1/a (88) ✔ 12 104 3 2.6238 2.740 0.000 (0;000) ✗ 27/01/17
Al2CdS4 ICSD 25634 I-4 (82) ✗ 7 42 3 2.6241 2.624 0.000 (0;000) ✗ 06/10/16
Rb2AgBr3 ICSD 150287 Pnma (62) ✔ 24 200 1 2.6245 2.625 0.000 (0;000) ✗ 04/08/17
SbBr3 COD 1527261 P2_12_12_1 (19) ✗ 16 104 2 2.6249 2.908 0.000 (0;000) ✗ 21/03/17
HgCSNCl ICSD 409579 Pnma (62) ✔ 20 136 3 2.6253 2.625 0.000 (0;000) ✗ 02/02/17
KLiO ICSD 30964 Cmce (64) ✔ 12 72 2 2.6278 2.628 0.000 (0;000) ✗ 27/01/17
CdSO4 ICSD 60571 Cmcm (63) ✔ 12 84 3 2.6303 3.091 0.000 (0;000) ✗ 27/01/17
CsGaS3 ICSD 281723 P2_1/c (14) ✔ 20 160 1 2.6307 2.708 0.000 (0;000) ✗ 02/02/17
BaCa(CO3)2 COD 1010917 P2_1 (4) ✗ 20 128 2 2.6308 2.662 0.000 (0;000) ✗ 21/03/17
ZnWO4 COD 2101686 P-1 (2) ✔ 12 128 3 2.6316 2.818 0.000 (0;000) ✗ 11/04/17
TaCl4F ICSD 27413 I-4 (82) ✗ 24 192 3 2.6317 2.648 0.000 (0;000) ✗ 04/08/17
KH8N3 ICSD 414496 C222_1 (20) ✗ 24 64 1 2.6336 2.696 0.000 (0;000) ✗ 04/08/17
BCl2 COD 1510986 Pbca (61) ✔ 24 136 1 2.6338 2.634 0.000 (0;000) ✗ 04/08/17
LiClO2 COD 2014617 P4_2/ncm (138) ✔ 16 88 1 2.6354 2.635 0.000 (0;000) ✗ 02/02/17
LiIO4 ICSD 400552 P2_1/c (14) ✔ 24 136 1 2.6356 2.723 0.000 (0;000) ✗ 04/08/17
BaI2 ICSD 36210 P-62m (189) ✗ 9 72 1 2.639 2.639 0.000 (0;000) ✗ 21/03/17
K2H6PbO6 ICSD 92466 R-3 (148) ✔ 15 74 1 2.6398 2.640 0.000 (0;000) ✗ 27/01/17
H4CSN2 ICSD 2400 Pmc2_1 (26) ✗ 16 48 1 2.64 3.019 0.000 (0;000) ✗ 22/03/17
NaNO2 ICSD 60765 Im2m (44) ✗ 4 26 1 2.6408 2.815 0.000 (0;000) ✗ 06/10/16
Na5NbO5 ICSD 72298 C2/c (15) ✔ 22 176 1 2.6434 2.643 0.000 (0;000) ✗ 07/08/17
Ba3(GaS3)2 COD 1518040 C2/c (15) ✔ 22 184 1 2.6437 2.644 0.000 (0;000) ✗ 07/08/17
ZnHgC4(SN)4 COD 2008857 I-4 (82) ✗ 14 84 3 2.6464 2.859 0.000 (0;000) ✗ 21/03/17
MgH2 ICSD 168832 Pa3 (205) ✔ 12 48 1 2.6473 3.399 0.000 (0;000) ✗ 27/01/17
YCuO2 ICSD 60848 R-3m (166) ✔ 4 34 3 2.648 2.678 0.000 (0;000) ✗ 27/01/17
Sr2ZrTiO6 ICSD 190548 I4/m (87) ✔ 10 72 3 2.6501 2.673 0.000 (0;000) ✗ 27/01/17
Ba3WO6 ICSD 76437 Fm-3m (225) ✔ 10 80 1 2.6514 2.651 0.000 (0;000) ✗ 05/01/17
Na2CO3 ICSD 81004 P6_3/mmc (194) ✔ 12 80 1 2.6517 2.652 0.000 (0;000) ✗ 27/01/17
NaNO2 ICSD 4243 Imm2 (44) ✗ 4 26 1 2.6518 2.828 0.000 (0;000) ✗ 06/10/16
HPbClO COD 9009482 C2/m (12) ✔ 8 56 1 2.6542 2.661 0.000 (0;000) ✗ 27/01/17
MoPb2O5 COD 7220560 C2/m (12) ✔ 16 144 3 2.6543 2.911 0.000 (0;000) ✗ 02/02/17
BiSbO4 ICSD 35478 C2/c (15) ✔ 12 88 3 2.6573 2.690 0.000 (0;000) ✗ 05/01/17
MgV2O6 COD 1522587 C2/m (12) ✔ 9 72 3 2.6583 2.689 0.000 (0;000) ✗ 27/01/17
NaAl(PS3)2 ICSD 425980 Fdd2 (43) ✗ 20 116 3 2.6585 2.694 0.000 (0;000) ✗ 16/03/17
Na2S COD 2106220 Pnma (62) ✔ 12 96 1 2.6588 2.659 0.000 (0;000) ✗ 02/02/17
LiNbO3 COD 1521772 R-3c (167) ✔ 10 68 3 2.6596 2.693 0.000 (0;000) ✗ 27/01/17
LiNbO3 ICSD 90743 R-3c (167) ✔ 10 68 3 2.6599 2.693 0.000 (0;000) ✗ 06/10/16
KBS2 COD 1510923 R-3c (167) ✔ 24 144 1 2.6619 2.662 0.000 (0;000) ✗ 04/08/17
LiCdBO3 ICSD 200615 P-1 (2) ✔ 12 72 3 2.6621 2.727 0.000 (0;000) ✗ 05/01/17
LiAl(PS3)2 ICSD 425979 C2/c (15) ✔ 20 104 2 2.6621 2.809 0.000 (0;000) ✗ 16/03/17
CO2 ICSD 188894 P4_12_12 (92) ✗ 12 64 1 2.6623 3.604 0.000 (0;000) ✗ 06/10/16
K2W2O7 ICSD 67284 P2_1/c (14) ✔ 22 232 2 2.6632 3.296 0.000 (0;000) ✗ 08/08/17
Li3Zn2SbO6 ICSD 69189 C2/m (12) ✔ 12 74 2 2.6662 2.802 0.000 (0;000) ✗ 27/01/17
Cs4PbBr6 ICSD 25124 R-3c (167) ✔ 22 184 3 2.6664 2.666 0.000 (0;000) ✗ 07/08/17
YCuO2 COD 1531596 P6_3/mmc (194) ✔ 8 68 3 2.6666 2.667 0.000 (0;000) ✗ 27/01/17
KNaS ICSD 62658 Pnma (62) ✔ 12 96 1 2.6667 2.667 0.000 (0;000) ✗ 02/02/17
Zn2PN3 ICSD 422150 Cmc2_1 (36) ✗ 12 88 3 2.6671 3.367 0.000 (0;000) ✗ 06/10/16
V2Pb3O8 ICSD 69798 R-3m (166) ✔ 13 116 3 2.6673 2.802 0.000 (0;000) ✗ 27/01/17
Nb2O5 ICSD 25765 C2/m (12) ✔ 7 56 3 2.6685 3.191 0.000 (0;000) ✗ 27/01/17
Ba(BS2)2 COD 1510637 Cc (9) ✗ 14 80 1 2.6688 2.785 0.000 (0;000) ✗ 21/03/17
K2NaAg3(CN)6 ICSD 65699 P-31m (162) ✔ 18 114 2 2.6697 2.670 0.000 (0;000) ✗ 02/02/17
Sr2SiS4 ICSD 650888 P2_1/m (11) ✔ 14 96 1 2.6715 2.832 0.000 (0;000) ✗ 02/02/17
As2PbO6 ICSD 81063 P-31m (162) ✔ 9 60 3 2.6716 2.672 0.000 (0;000) ✗ 05/01/17
Tl2Te3O7 ICSD 150779 P-1 (2) ✔ 24 172 3 2.6719 2.721 0.000 (0;000) ✗ 04/08/17
InBr3 ICSD 65198 C2/m (12) ✔ 8 68 2 2.6722 2.697 0.000 (0;000) ✗ 02/02/17
Sr2MgWO6 ICSD 152575 Fm-3m (225) ✔ 10 80 3 2.6761 2.676 0.000 (0;000) ✗ 27/01/17
Ag2SO3 COD 1509693 P2_1/c (14) ✔ 24 184 3 2.6768 2.738 0.000 (0;000) ✗ 04/08/17
VCl3O ICSD 36214 Pnma (62) ✔ 20 160 1 2.6811 2.682 0.000 (0;000) ✗ 02/02/17
NaSO2 COD 2310568 P2/c (13) ✔ 16 108 1 2.6817 2.684 0.000 (0;000) ✗ 02/02/17
AlPS4 ICSD 428184 P-42c (112) ✗ 12 64 2 2.6819 2.883 0.000 (0;000) ✗ 07/10/16
Ca(GaS2)2 ICSD 619292 Cccm (66) ✔ 14 120 1 2.6848 2.831 0.000 (0;000) ✗ 02/02/17
Tl3VO4 ICSD 80667 Imm2 (44) ✗ 8 76 3 2.6853 2.512 1.000 (0;000) ✗ 06/10/16
H2C2I COD 4508289 P-1 (2) ✔ 20 68 1 2.6863 2.762 0.000 (0;000) ✗ 02/02/17
Cd2B2O5 COD 2202291 P-1 (2) ✔ 18 120 3 2.687 2.709 0.000 (0;000) ✗ 02/02/17
Pt2PbO4 COD 1004132 P-1 (2) ✔ 14 116 3 2.687 0.084 1.000 (0;000) ✗ 29/03/17
Cs2SrV4O12 ICSD 250106 P4/mmm (123) ✔ 19 152 1 2.6877 2.688 0.000 (0;000) ✗ 02/02/17
Sr4SO3 ICSD 165969 Pm-3m (221) ✔ 8 64 1 2.6881 2.688 0.000 (0;000) ✗ 06/10/16
RbCdAg3(CN)6 ICSD 75503 P312 (149) ✗ 17 108 3 2.6898 2.690 0.000 (0;000) ✗ 21/03/17
Hg3(BO3)2 COD 8100358 R-3c (167) ✔ 22 156 3 2.6912 2.695 0.000 (0;000) ✗ 07/08/17
Li6MoN4 ICSD 66095 P4_2/nmc (137) ✔ 22 104 1 2.6915 2.731 0.000 (0;000) ✗ 04/08/17
H5(C2O)2 COD 4113701 P-1 (2) ✔ 22 66 1 2.693 2.728 0.000 (0;000) ✗ 04/08/17
CdBr2 ICSD 25782 P6_3mc (186) ✗ 6 52 2 2.6943 2.694 0.000 (0;000) ✗ 06/10/16
BaZrO3 ICSD 190881 I4/mcm (140) ✔ 10 64 3 2.6946 2.695 0.000 (0;000) ✗ 05/01/17
H5(C2O)2 COD 4113700 P-1 (2) ✔ 22 66 1 2.6956 2.724 0.000 (0;000) ✗ 04/08/17
K4Bi2O5 ICSD 408000 P-1 (2) ✔ 22 192 1 2.6958 2.768 0.000 (0;000) ✗ 07/08/17
SiO2 COD 9006300 P1 (1) ✗ 12 64 3 2.6958 2.696 0.000 (0;000) ✗ 15/02/17
SnH8(NCl3)2 ICSD 9021 Fm-3m (225) ✔ 17 74 1 2.697 2.697 0.000 (0;000) ✗ 02/02/17
SCl ICSD 37016 Fdd2 (43) ✗ 16 104 1 2.6979 2.765 0.000 (0;000) ✗ 22/03/17
P ICSD 154318 C2/m (12) ✔ 8 40 1 2.6998 3.134 0.000 (0;000) ✗ 02/02/17
ZrO2 ICSD 79915 Pnma (62) ✔ 12 64 3 2.7017 2.702 0.000 (0;000) ✗ 27/01/17
SbN9 ICSD 413359 R-3 (148) ✔ 20 100 1 2.7027 2.734 0.000 (0;000) ✗ 02/02/17
RbIO3 ICSD 2825 R3m (160) ✗ 5 34 1 2.7038 2.708 0.000 (0;000) ✗ 06/10/16
CsCa(NO2)3 ICSD 56433 R3 (146) ✗ 11 70 1 2.7053 2.770 0.000 (0;000) ✗ 15/02/17
Rb2S COD 2104951 P6_3/mmc (194) ✔ 6 48 1 2.7069 2.707 0.000 (0;000) ✗ 27/01/17
Rb2SnCl6 COD 1010175 Fm-3m (225) ✔ 9 74 1 2.7072 2.707 0.000 (0;000) ✗ 02/02/17
Cs(CO)2 ICSD 154357 C2/m (12) ✔ 10 58 1 2.7093 2.798 0.000 (0;000) ✗ 27/01/17
SiI3 COD 2019712 R-3 (148) ✔ 8 50 1 2.7095 2.751 0.000 (0;000) ✗ 02/02/17
Cs2CdI4 COD 1518204 P2_1/m (11) ✔ 14 116 1 2.7112 2.711 0.000 (0;000) ✗ 02/02/17
K2SnCl6 COD 2106487 P4/mnc (128) ✔ 18 148 1 2.7117 2.712 0.000 (0;000) ✗ 02/02/17
CaSnO3 COD 9015651 Pnma (62) ✔ 20 168 3 2.7125 2.829 0.000 (0;000) ✗ 02/02/17
SbS8Cl3 ICSD 35741 P-1 (2) ✔ 24 148 2 2.714 2.763 0.000 (0;000) ✗ 04/08/17
MgTe(PbO3)2 COD 1008899 Fm-3m (225) ✔ 10 80 3 2.7142 2.714 0.000 (0;000) ✗ 27/01/17
Li2O2 COD 1514083 P6_3/mmc (194) ✔ 8 36 2 2.7158 2.716 0.000 (0;000) ✗ 27/01/17
BaNb2O6 ICSD 39272 P2_1/c (14) ✔ 18 144 3 2.717 3.205 0.000 (0;000) ✗ 02/02/17
Li2O2 ICSD 24143 P6_3/mmc (194) ✔ 8 36 2 2.7201 2.720 0.000 (0;000) ✗ 06/10/16
V2Pb3O8 ICSD 67605 C2 (5) ✗ 13 116 3 2.725 2.737 0.000 (0;000) ✗ 06/10/16
LiBeN ICSD 402341 P2_1/c (14) ✔ 12 48 1 2.7254 2.963 0.000 (0;000) ✗ 05/01/17
Na2GeS3 ICSD 653637 P2_1/c (14) ✔ 24 160 1 2.7259 2.726 0.000 (0;000) ✗ 04/08/17
LiZnPS4 ICSD 95785 I-4 (82) ✗ 7 44 3 2.7265 3.156 0.000 (0;000) ✗ 15/02/17
Rb(CO)2 ICSD 154356 C2/m (12) ✔ 10 58 1 2.7302 2.822 0.000 (0;000) ✗ 27/01/17
KIn(GeO3)2 ICSD 65337 C2/c (15) ✔ 20 132 3 2.731 2.805 0.000 (0;000) ✗ 02/02/17
CaZnSO ICSD 245309 P6_3mc (186) ✗ 8 68 1 2.7339 2.734 0.000 (0;000) ✗ 15/02/17
RbIn(MoO4)2 ICSD 10186 P-3m1 (164) ✔ 12 98 3 2.7374 2.739 0.000 (0;000) ✗ 04/08/17
Sr(GaS2)2 ICSD 635274 Cccm (66) ✔ 14 120 1 2.7389 2.819 0.000 (0;000) ✗ 02/02/17
Rb2Zn3S4 ICSD 602243 Ibam (72) ✔ 18 156 2 2.7396 2.740 0.000 (0;000) ✗ 02/02/17
TlBi2Cl7 ICSD 421318 P-1 (2) ✔ 20 184 3 2.7397 2.804 0.000 (0;000) ✗ 02/02/17
Na2Cr2O7 ICSD 2534 P-1 (2) ✔ 22 176 1 2.7424 2.765 0.000 (0;000) ✗ 07/08/17
NaAg(CN)2 ICSD 65697 C2/c (15) ✔ 12 76 1 2.7425 2.854 0.000 (0;000) ✗ 02/02/17
ZnNi(CN)4 ICSD 169760 P4_2/mcm (132) ✔ 20 116 3 2.7426 2.768 0.000 (0;000) ✗ 02/02/17
PbCClO2 ICSD 99805 C2/m (12) ✔ 10 74 2 2.7433 2.837 0.000 (0;000) ✗ 27/01/17
TlH4NCl4 ICSD 14020 I4_1/a (88) ✔ 20 100 1 2.7439 2.744 0.000 (0;000) ✗ 02/02/17
ClF3 COD 1529706 Pnma (62) ✔ 16 112 1 2.7457 2.765 0.000 (0;000) ✗ 02/02/17
CsCdBr3 COD 1527655 P6_3/mmc (194) ✔ 10 84 1 2.7458 2.746 0.000 (0;000) ✗ 02/02/17
C3IF2 COD 7208556 P2_1/c (14) ✔ 24 132 1 2.7461 2.746 0.000 (0;000) ✗ 04/08/17
Ge2N2O ICSD 200847 Cmc2_1 (36) ✗ 10 48 3 2.7469 3.045 0.000 (0;000) ✗ 06/10/16
H(CO)2 ICSD 151146 P2_1/m (11) ✔ 20 84 1 2.7476 2.853 0.000 (0;000) ✗ 27/01/17
CsAg(NO3)2 COD 2008257 C2/m (12) ✔ 20 132 1 2.7484 2.769 0.000 (0;000) ✗ 16/03/17
V2Pb3O8 ICSD 67604 C2 (5) ✗ 13 116 3 2.7495 2.762 0.000 (0;000) ✗ 06/10/16
SiO2 ICSD 25632 Ibam (72) ✔ 6 32 1 2.7504 3.123 0.000 (0;000) ✗ 27/01/17
Na2GeO3 ICSD 23781 Ccm2_1 (36) ✗ 12 80 1 2.7517 2.752 0.000 (0;000) ✗ 06/10/16
NaLiV2O6 ICSD 30019 C2/c (15) ✔ 20 148 1 2.7521 2.821 0.000 (0;000) ✗ 02/02/17
NaGe2N3 ICSD 47100 Cmc2_1 (36) ✗ 12 64 3 2.7533 3.033 0.000 (0;000) ✗ 06/10/16
AgClO4 ICSD 100280 I-42m (121) ✗ 6 42 3 2.7542 3.311 0.000 (0;000) ✗ 07/10/16
Ba2MgWO6 ICSD 152572 Fm-3m (225) ✔ 10 80 3 2.7544 2.831 0.000 (0;000) ✗ 05/01/17
Na2PS3 ICSD 426907 C2/m (12) ✔ 12 82 1 2.7557 3.066 0.000 (0;000) ✗ 02/02/17
Pb(CO2)2 ICSD 109831 P-1 (2) ✔ 14 92 3 2.7558 2.756 0.000 (0;000) ✗ 27/01/17
Cs2AgBr3 ICSD 150288 Pnma (62) ✔ 24 200 1 2.7568 2.757 0.000 (0;000) ✗ 04/08/17
AgH4CN4 COD 2203531 P-1 (2) ✔ 20 78 3 2.7572 3.110 0.000 (0;000) ✗ 02/02/17
Na4CO4 ICSD 245406 P-43m (215) ✗ 9 64 1 2.7579 3.161 0.000 (0;000) ✗ 06/10/16
MgS COD 9008672 Fm-3m (225) ✔ 2 16 3 2.7586 3.688 0.000 (0;000) ✗ 27/01/17
HfSO ICSD 23327 P2_13 (198) ✗ 12 96 3 2.7591 3.483 0.000 (0;000) ✗ 06/10/16
InAsH2O5 COD 2015029 P-1 (2) ✔ 18 100 3 2.7601 2.844 0.000 (0;000) ✗ 05/01/17
Zr(MoO4)2 ICSD 98167 Pmn2_1 (31) ✗ 22 160 3 2.7607 2.799 0.000 (0;000) ✗ 07/08/17
Tl4AuSe3 ICSD 612311 I4/mcm (140) ✔ 16 162 3 2.7617 0.007 1.000 (0;000) ✗ 21/03/17
Pb3SO6 COD 8103588 P2_1/m (11) ✔ 20 168 3 2.7642 2.875 0.000 (0;000) ✗ 02/02/17
Ba2I2O ICSD 391434 Ibam (72) ✔ 10 80 1 2.7672 2.976 0.000 (0;000) ✗ 02/02/17
Ca2V2O7 ICSD 20609 P-1 (2) ✔ 22 176 1 2.7675 2.802 0.000 (0;000) ✗ 07/08/17
NaTa3O8 COD 9012848 Ibam (72) ✔ 24 192 3 2.768 2.934 0.000 (0;000) ✗ 04/08/17
Nb2O5 COD 1528678 C2/c (15) ✔ 14 112 3 2.7685 2.894 0.000 (0;000) ✗ 27/01/17
KIO3 ICSD 97995 R3m (160) ✗ 5 34 1 2.7686 2.769 0.000 (0;000) ✗ 06/10/16
RbBS2 COD 1510950 R-3c (167) ✔ 24 144 1 2.7693 2.769 0.000 (0;000) ✗ 04/08/17
K2Cr2Cd(H2O5)2 ICSD 162408 P-1 (2) ✔ 19 122 2 2.7697 2.951 0.000 (0;000) ✗ 02/02/17
CdBr2 COD 9009124 R-3m (166) ✔ 3 26 2 2.7703 2.910 0.000 (0;000) ✗ 27/01/17
Cs3TiF7 COD 1531503 P4/mbm (127) ✔ 22 176 1 2.7718 2.772 0.000 (0;000) ✗ 07/08/17
K3GaO3 ICSD 2269 C2/m (12) ✔ 14 116 1 2.7722 2.772 0.000 (0;000) ✗ 02/02/17
TlF COD 1520825 P4/nmm (129) ✔ 4 40 1 2.7739 2.809 0.000 (0;000) ✗ 27/01/17
Cs2PtF6 ICSD 78955 Fm-3m (225) ✔ 9 70 1 2.7742 2.796 0.000 (0;000) ✗ 27/01/17
VInO4 ICSD 80360 C2/m (12) ✔ 24 200 3 2.7743 2.914 0.000 (0;000) ✗ 04/08/17
KNb3O8 COD 1001208 Cmcm (63) ✔ 24 192 1 2.7746 2.840 0.000 (0;000) ✗ 04/08/17
Be3N2 ICSD 185490 R3m (160) ✗ 5 22 1 2.7756 3.816 0.000 (0;000) ✗ 06/10/16
TlBrO3 ICSD 76966 R3m (160) ✗ 5 38 1 2.7769 2.778 0.000 (0;000) ✗ 06/10/16
Hg(IO3)2 COD 7222313 P2_1 (4) ✗ 18 124 3 2.7773 2.779 0.000 (0;000) ✗ 29/03/17
SnCSNF ICSD 2418 Pnma (62) ✔ 20 144 2 2.7795 3.124 0.000 (0;000) ✗ 02/02/17
IO2F COD 4320644 P2_12_12_1 (19) ✗ 16 104 3 2.7801 2.903 0.000 (0;000) ✗ 22/03/17
SiH4 ICSD 159307 P2_1/c (14) ✔ 20 32 2 2.7828 2.791 0.000 (0;000) ✗ 27/01/17
SO2 ICSD 24645 C2ce (41) ✗ 6 36 1 2.7868 3.412 0.000 (0;000) ✗ 06/10/16
YMoClO4 COD 4304780 C2/m (12) ✔ 14 112 3 2.7876 3.153 0.000 (0;000) ✗ 02/02/17
Na3Li3N2 ICSD 92311 P-4m2 (115) ✗ 8 46 3 2.7879 2.788 0.000 (0;000) ✗ 07/10/16
AlSeCl7 ICSD 9064 P1 (1) ✗ 18 116 1 2.7884 2.790 0.000 (0;000) ✗ 16/03/17
K2S ICSD 412535 Cmcm (63) ✔ 6 48 1 2.7895 2.790 0.000 (0;000) ✗ 27/01/17
Hg(CO2)2 ICSD 151138 P2_1 (4) ✗ 14 88 3 2.7964 2.862 0.000 (0;000) ✗ 15/02/17
BaZrO3 COD 1532743 Pm-3m (221) ✔ 5 32 3 2.7993 2.799 0.000 (0;000) ✗ 05/01/17
SnBr4 ICSD 51570 P2_1/c (14) ✔ 20 168 1 2.8007 2.801 0.000 (0;000) ✗ 02/02/17
KYSiS4 ICSD 602576 P2_1 (4) ✗ 14 96 1 2.8007 2.819 0.000 (0;000) ✗ 29/03/17
NbBiO4 COD 1532718 Pnna (52) ✔ 24 208 3 2.8013 2.921 0.000 (0;000) ✗ 04/08/17
LiCaAlN2 ICSD 424911 P2_1/c (14) ✔ 20 104 1 2.8043 2.811 0.000 (0;000) ✗ 30/01/17
CdSO4 ICSD 25772 Pn2_1m (31) ✗ 12 84 3 2.8065 3.264 0.000 (0;000) ✗ 06/10/16
HPbBrO ICSD 404573 Pnma (62) ✔ 16 112 3 2.8066 2.835 0.000 (0;000) ✗ 02/02/17
Li2S ICSD 91283 P2_1nb (33) ✗ 12 48 1 2.808 3.650 0.000 (0;000) ✗ 06/10/16
CaZn(GeO3)2 COD 2014615 C2/c (15) ✔ 20 132 3 2.8081 2.912 0.000 (0;000) ✗ 02/02/17
Rb2Cr2O7 COD 8100514 P-1 (2) ✔ 22 176 1 2.8086 2.822 0.000 (0;000) ✗ 07/08/17
AlSCl7 ICSD 35685 Pc (7) ✗ 18 116 1 2.8088 2.809 0.000 (0;000) ✗ 16/03/17
K3Ta3(BO6)2 ICSD 201143 P-62m (189) ✗ 20 144 3 2.8089 2.897 0.000 (0;000) ✗ 21/03/17
NaCr2In(H2O5)2 COD 2015315 C2/m (12) ✔ 18 114 3 2.8092 2.828 0.000 (0;000) ✗ 02/02/17
ZrO2 COD 1525707 Fm-3m (225) ✔ 3 16 3 2.8098 3.454 0.000 (0;000) ✗ 27/01/17
CsSnCl3 COD 1527954 P2_1/c (14) ✔ 20 176 1 2.8109 2.811 0.000 (0;000) ✗ 02/02/17
AlTlI4 ICSD 419827 P2_1/c (14) ✔ 24 176 1 2.8112 2.879 0.000 (0;000) ✗ 04/08/17
AgCS(OF)3 ICSD 183643 R-3 (148) ✔ 18 120 2 2.8132 3.334 0.000 (0;000) ✗ 02/02/17
Tl2WO4 ICSD 8212 P-3m1 (164) ✔ 14 156 3 2.8141 2.944 0.000 (0;000) ✗ 11/04/17
BiOF COD 9009163 P4/nmm (129) ✔ 6 56 1 2.8147 2.815 0.000 (0;000) ✗ 05/01/17
Cs2SnCl6 COD 1010228 Fm-3m (225) ✔ 9 74 1 2.8166 2.817 0.000 (0;000) ✗ 02/02/17
Ba5Nb4O15 ICSD 95192 P-3m1 (164) ✔ 24 192 1 2.8172 2.827 0.000 (0;000) ✗ 04/08/17
CaV2O6 ICSD 21064 C2/m (12) ✔ 9 72 1 2.8183 2.818 0.000 (0;000) ✗ 04/08/17
Te3SeO8 COD 1530582 P-1 (2) ✔ 24 144 2 2.82 2.820 0.000 (0;000) ✗ 04/08/17
K2Cr2O7 COD 2010992 C2/c (15) ✔ 22 176 1 2.8202 2.822 0.000 (0;000) ✗ 07/08/17
NbBO4 COD 9012847 I4_1/amd (141) ✔ 12 80 3 2.8207 2.846 0.000 (0;000) ✗ 27/01/17
KCO2 COD 4313233 Pbam (55) ✔ 16 100 1 2.8207 2.821 0.000 (0;000) ✗ 02/02/17
AsCl3O ICSD 411196 P2_1/c (14) ✔ 20 128 1 2.8211 2.897 0.000 (0;000) ✗ 30/01/17
TlF COD 1520823 Pbcm (57) ✔ 8 80 2 2.8245 2.913 0.000 (0;000) ✗ 27/01/17
TlF ICSD 90992 Pmab (57) ✔ 8 80 2 2.8245 2.913 0.000 (0;000) ✗ 06/10/16
Na4CO4 ICSD 245415 R3 (146) ✗ 9 64 3 2.8246 3.273 0.000 (0;000) ✗ 06/10/16
CsHg5Cl11 ICSD 39767 C2/m (12) ✔ 17 146 3 2.8247 2.946 0.000 (0;000) ✗ 02/02/17
NO2 COD 2104473 Im3 (204) ✔ 18 102 1 2.8252 2.825 0.000 (0;000) ✗ 02/02/17
SnPCl9 ICSD 60093 P-1 (2) ✔ 22 164 1 2.8264 2.826 0.000 (0;000) ✗ 04/08/17
CaSnO3 ICSD 56095 Pm-3m (221) ✔ 5 42 3 2.8282 3.851 0.000 (0;000) ✗ 27/01/17
Ba3InS4Cl ICSD 427796 I4/mcm (140) ✔ 18 148 1 2.8306 2.941 0.000 (0;000) ✗ 02/02/17
CaCrO4 COD 1010939 I4_1/amd (141) ✔ 12 96 1 2.8326 2.833 0.000 (0;000) ✗ 27/01/17
TlHg5Cl11 COD 7221334 C2/m (12) ✔ 17 150 3 2.8327 3.194 0.000 (0;000) ✗ 02/02/17
MgPbF6 COD 1527518 R-3 (148) ✔ 8 66 3 2.8342 2.880 0.000 (0;000) ✗ 27/01/17
Rb3AlO3 ICSD 74969 C2/m (12) ✔ 14 96 3 2.8352 2.835 0.000 (0;000) ✗ 30/01/17
CsC ICSD 51534 Pnma (62) ✔ 16 104 1 2.8353 2.840 0.000 (0;000) ✗ 02/02/17
PbSO3 COD 9009622 P2_1/m (11) ✔ 10 76 3 2.8374 2.837 0.000 (0;000) ✗ 27/01/17
Li2Se COD 9009061 Fm-3m (225) ✔ 3 12 1 2.8431 3.253 0.000 (0;000) ✗ 27/01/17
CaZrO3 COD 5910140 Pm-3m (221) ✔ 5 32 3 2.8438 2.844 0.000 (0;000) ✗ 27/01/17
AlGaN2 ICSD 187055 P-4m2 (115) ✗ 4 26 3 2.845 2.845 0.000 (0;000) ✗ 06/10/16
NaLi2N COD 1526562 Fm-3m (225) ✔ 4 20 1 2.8455 2.846 0.000 (0;000) ✗ 27/01/17
Hf(MoO4)2 COD 1532569 C2/c (15) ✔ 22 176 3 2.8462 2.846 0.000 (0;000) ✗ 07/08/17
BaTeO3 COD 1524714 P2_1/m (11) ✔ 10 68 1 2.8465 2.873 0.000 (0;000) ✗ 05/01/17
Li2H6PtO6 ICSD 251041 P-3 (147) ✔ 15 58 1 2.847 2.876 0.000 (0;000) ✗ 27/01/17
Ba2CaWO6 ICSD 76436 Fm-3m (225) ✔ 10 80 1 2.8479 2.918 0.000 (0;000) ✗ 05/01/17
CsNO2 ICSD 50328 P3_121 (152) ✗ 12 78 1 2.8488 3.021 0.000 (0;000) ✗ 28/10/16
CsAs3O8 COD 2102799 C2/c (15) ✔ 24 144 3 2.8495 2.850 0.000 (0;000) ✗ 04/08/17
H4NClO2 COD 2205376 P-42_1m (113) ✗ 16 56 1 2.8507 2.901 0.000 (0;000) ✗ 15/02/17
Rb4CO4 ICSD 245437 R3 (146) ✗ 9 64 3 2.8509 2.870 0.000 (0;000) ✗ 06/10/16
Na2ZnGeO4 COD 2008958 Pc (7) ✗ 16 116 3 2.8509 3.032 0.000 (0;000) ✗ 22/03/17
CsBrF4 ICSD 426292 Immm (71) ✔ 12 88 1 2.8511 2.867 0.000 (0;000) ✗ 02/02/17
RbLiS ICSD 67254 P4/nmm (129) ✔ 6 36 1 2.8523 2.922 0.000 (0;000) ✗ 27/01/17
K3AlO3 ICSD 166540 C2/m (12) ✔ 14 96 1 2.8531 2.861 0.000 (0;000) ✗ 30/01/17
CaPtF6 ICSD 37443 R-3 (148) ✔ 8 62 1 2.8543 2.877 0.000 (0;000) ✗ 27/01/17
NaInBr4 ICSD 65462 P2_12_12_1 (19) ✗ 24 200 1 2.8544 2.854 0.000 (0;000) ✗ 04/08/17
Na2H6PtO6 ICSD 251042 P-3 (147) ✔ 15 70 1 2.8576 2.890 0.000 (0;000) ✗ 27/01/17
H4INO4 COD 2008618 I4_1/a (88) ✔ 20 80 1 2.8578 2.859 0.000 (0;000) ✗ 02/02/17
CdBiClO2 COD 2012362 P2_1/m (11) ✔ 10 92 3 2.8582 3.016 0.000 (0;000) ✗ 05/01/17
Sr2MgTeO6 ICSD 290893 C2/m (12) ✔ 10 72 3 2.8585 2.859 0.000 (0;000) ✗ 27/01/17
Ga2O3 ICSD 27431 R-3c (167) ✔ 10 88 3 2.8601 3.106 0.000 (0;000) ✗ 27/01/17
MgSn(BO3)2 ICSD 28266 R-3 (148) ✔ 10 66 3 2.8625 2.973 0.000 (0;000) ✗ 05/01/17
AsBr3 COD 1010147 P2_12_12_1 (19) ✗ 16 104 1 2.8654 2.924 0.000 (0;000) ✗ 21/03/17
SN ICSD 37353 P2_1/c (14) ✔ 8 44 1 2.8674 3.081 0.000 (0;000) ✗ 27/01/17
SbBr3 ICSD 27405 Pnma (62) ✔ 16 104 1 2.8677 2.983 0.000 (0;000) ✗ 02/02/17
SrGa4O7 COD 2002229 C2/c (15) ✔ 24 208 3 2.8686 2.869 0.000 (0;000) ✗ 04/08/17
RbCdBr3 ICSD 808 Pnma (62) ✔ 20 168 1 2.8691 2.929 0.000 (0;000) ✗ 02/02/17
CsRbC2 ICSD 189823 Pnma (62) ✔ 16 104 1 2.8694 3.018 0.000 (0;000) ✗ 02/02/17
Rb2SiS3 COD 8100236 C2/m (12) ✔ 12 80 1 2.8708 2.943 0.000 (0;000) ✗ 02/02/17
KInBr4 COD 1004072 Pnna (52) ✔ 24 200 1 2.8711 2.871 0.000 (0;000) ✗ 04/08/17
BiClF8 ICSD 39555 P-1 (2) ✔ 20 156 1 2.8713 2.871 0.000 (0;000) ✗ 02/02/17
K2CdN12 ICSD 659621 C2/m (12) ✔ 15 90 3 2.8735 2.989 0.000 (0;000) ✗ 02/02/17
NaVO3 COD 9011241 Pnma (62) ✔ 20 160 1 2.8739 2.938 0.000 (0;000) ✗ 02/02/17
MgC2 ICSD 88057 P4_2/mnm (136) ✔ 6 36 2 2.874 3.338 0.000 (0;000) ✗ 27/01/17
Rb2Cr2O7 COD 1527737 C2/c (15) ✔ 22 176 1 2.8743 2.900 0.000 (0;000) ✗ 07/08/17
SrBiBrO2 ICSD 97509 Cmcm (63) ✔ 10 88 1 2.8751 3.099 0.000 (0;000) ✗ 02/02/17
BiF3 ICSD 25567 P-43m (215) ✗ 16 104 3 2.8752 2.876 0.000 (0;000) ✗ 06/10/16
Rb2ZnI4 ICSD 56425 P2_1/m (11) ✔ 14 116 1 2.8761 2.876 0.000 (0;000) ✗ 02/02/17
Y2C(NO)2 ICSD 245333 P6_3/mmc (194) ✔ 14 96 3 2.8762 3.111 0.000 (0;000) ✗ 27/01/17
Sr2Nb2O7 COD 2106522 Cmc2_1 (36) ✗ 22 176 2 2.8766 3.077 0.000 (0;000) ✗ 07/08/17
K3Sb2N2O6F7 ICSD 200740 C2/m (12) ✔ 20 132 1 2.8769 2.886 0.000 (0;000) ✗ 02/02/17
K4CO4 ICSD 245417 P-43m (215) ✗ 9 64 3 2.878 2.878 0.000 (0;000) ✗ 06/10/16
Ba2ZnO3 COD 2002534 C2/c (15) ✔ 24 200 2 2.883 2.885 0.000 (0;000) ✗ 04/08/17
Rb2W2O7 ICSD 300230 P2_1/c (14) ✔ 22 232 2 2.8846 3.271 0.000 (0;000) ✗ 08/08/17
Sr2CaWO6 ICSD 36459 Fm-3m (225) ✔ 10 80 1 2.8848 2.957 0.000 (0;000) ✗ 27/01/17
Al2CdS4 ICSD 83526 I-4 (82) ✗ 7 42 3 2.885 2.993 0.000 (0;000) ✗ 06/10/16
V2Zn2O7 ICSD 250002 C2/m (12) ✔ 11 92 3 2.8851 3.204 0.000 (0;000) ✗ 27/01/17
SiO2 ICSD 155252 P3_221 (154) ✗ 9 48 1 2.8856 3.133 0.000 (0;000) ✗ 15/02/17
Sr2SnO4 ICSD 150388 I4/mmm (139) ✔ 7 58 2 2.8857 3.258 0.000 (0;000) ✗ 27/01/17
Zn2SiO4 COD 9007526 I-42d (122) ✗ 14 104 3 2.8884 2.888 0.000 (0;000) ✗ 15/02/17
K4CO4 ICSD 245424 Cm (8) ✗ 9 64 3 2.8885 2.927 0.000 (0;000) ✗ 06/10/16
CSCl2 ICSD 300291 P2_1/c (14) ✔ 16 96 1 2.8885 2.901 0.000 (0;000) ✗ 02/02/17
RbCN5O2 COD 7004730 Cc (9) ✗ 18 100 1 2.8893 2.908 0.000 (0;000) ✗ 22/03/17
Ge2N2O ICSD 200844 Cmc2_1 (36) ✗ 10 48 3 2.8949 3.231 0.000 (0;000) ✗ 06/10/16
TlCdCl3 ICSD 39807 Pnma (62) ✔ 20 184 2 2.8952 2.896 0.000 (0;000) ✗ 02/02/17
CdH6C2I2(NO)2 ICSD 192774 P-1 (2) ✔ 15 62 1 2.8954 2.929 0.000 (0;000) ✗ 02/02/17
KIO3 COD 1530118 P1 (1) ✗ 20 136 1 2.8982 2.899 0.000 (0;000) ✗ 29/03/17
BaH2 ICSD 615909 Pnma (62) ✔ 12 48 1 2.9001 3.374 0.000 (0;000) ✗ 02/02/17
K2PtF6 COD 1528732 P-3m1 (164) ✔ 9 70 1 2.9011 2.908 0.000 (0;000) ✗ 27/01/17
H3(C3F)2 COD 4102744 P-1 (2) ✔ 22 82 2 2.9015 2.911 0.000 (0;000) ✗ 04/08/17
Li6Br3N COD 1528848 Fm-3m (225) ✔ 10 44 1 2.9029 3.244 0.000 (0;000) ✗ 27/01/17
SnF2 COD 1527293 P2_12_12_1 (19) ✗ 12 112 3 2.9033 3.278 0.000 (0;000) ✗ 22/03/17
CoSnC4Cl3O4 ICSD 69685 R3 (146) ✗ 13 92 1 2.9036 2.918 0.000 (0;000) ✗ 21/03/17
CaGe2O5 COD 8103645 P-1 (2) ✔ 16 96 3 2.9045 2.938 0.000 (0;000) ✗ 27/01/17
Sr2ZnWO6 ICSD 190595 P2_1/c (14) ✔ 20 164 3 2.9052 3.041 0.000 (0;000) ✗ 02/02/17
Ge2N2O ICSD 200842 Cmc2_1 (36) ✗ 10 48 3 2.9053 3.235 0.000 (0;000) ✗ 06/10/16
Cs2Zn3S4 ICSD 627093 Ibam (72) ✔ 18 156 2 2.9058 2.906 0.000 (0;000) ✗ 22/03/17
TaBiO4 COD 1532721 Pnna (52) ✔ 24 208 3 2.9069 2.907 0.000 (0;000) ✗ 04/08/17
Rb2AgCl3 COD 2008760 Pnma (62) ✔ 24 200 1 2.9077 2.908 0.000 (0;000) ✗ 04/08/17
K4CO4 ICSD 245426 Cm (8) ✗ 9 64 3 2.9078 3.076 0.000 (0;000) ✗ 06/10/16
Ge2N2O ICSD 200845 Cmc2_1 (36) ✗ 10 48 3 2.9087 3.213 0.000 (0;000) ✗ 06/10/16
BiF3 ICSD 24522 Fm-3m (225) ✔ 4 26 3 2.9096 3.077 0.000 (0;000) ✗ 06/10/16
Zr(MoO4)2 ICSD 420668 C2/c (15) ✔ 22 160 3 2.9098 2.989 0.000 (0;000) ✗ 07/08/17
Tl2SnCl6 COD 1010177 Fm-3m (225) ✔ 9 82 1 2.9112 2.911 0.000 (0;000) ✗ 02/02/17
KNbF6 COD 2310528 P-4c2 (116) ✗ 16 128 3 2.9122 2.918 0.000 (0;000) ✗ 22/03/17
PbBrCl ICSD 45881 Pnma (62) ✔ 12 112 2 2.9126 3.004 0.000 (0;000) ✗ 02/02/17
Li4SeO5 ICSD 410714 C2/c (15) ✔ 20 96 1 2.9133 3.020 0.000 (0;000) ✗ 27/01/17
Rb3TaO8 ICSD 150280 I-42m (121) ✗ 12 88 1 2.9156 3.105 0.000 (0;000) ✗ 07/10/16
SrSiN2 COD 4343851 P2_1/c (14) ✔ 16 96 1 2.9169 3.060 0.000 (0;000) ✗ 02/02/17
RbH COD 9008709 Fm-3m (225) ✔ 2 10 1 2.9175 2.918 0.000 (0;000) ✗ 27/01/17
CsSn2Cl5 COD 1525543 I4/mcm (140) ✔ 16 144 2 2.919 3.043 0.000 (0;000) ✗ 02/02/17
H5C3BrN COD 7101076 P-1 (2) ✔ 20 58 1 2.9198 2.977 0.000 (0;000) ✗ 02/02/17
TiO2 COD 1528778 C2/m (12) ✔ 12 96 3 2.9207 3.025 0.000 (0;000) ✗ 27/01/17
Pb2SO5 COD 9011421 C2/m (12) ✔ 16 128 3 2.9251 3.025 0.000 (0;000) ✗ 02/02/17
AlI3 ICSD 391247 P2_1/c (14) ✔ 16 96 1 2.9254 2.928 0.000 (0;000) ✗ 30/01/17
BiCl3 ICSD 2866 Pna2_1 (33) ✗ 16 144 1 2.926 3.001 0.000 (0;000) ✗ 21/03/17
Al2CdS4 ICSD 67218 I-4 (82) ✗ 7 42 3 2.9268 2.969 0.000 (0;000) ✗ 06/10/16
GaBr2 ICSD 62665 Pnna (52) ✔ 24 216 1 2.928 3.007 0.000 (0;000) ✗ 04/08/17
Sr(BS2)2 COD 1511644 R-3 (148) ✔ 21 120 1 2.9285 2.929 0.000 (0;000) ✗ 04/08/17
Ge2N2O ICSD 200846 Cmc2_1 (36) ✗ 10 48 3 2.9302 3.250 0.000 (0;000) ✗ 06/10/16
Cs2NaBiCl6 ICSD 59195 Fm-3m (225) ✔ 10 84 2 2.9309 3.206 0.000 (0;000) ✗ 02/02/17
TiAs2O7 COD 4030527 C2/c (15) ✔ 20 128 3 2.933 3.166 0.000 (0;000) ✗ 30/01/17
Ca(AsO3)2 ICSD 77379 P-31m (162) ✔ 9 56 2 2.9334 3.161 0.000 (0;000) ✗ 06/10/16
Pb2OF2 COD 1523196 P4_2/nmc (137) ✔ 20 192 3 2.9342 3.131 0.000 (0;000) ✗ 02/02/17
Ca2VBiO6 ICSD 50939 Cmc2_1 (36) ✗ 20 168 1 2.9417 2.965 0.000 (0;000) ✗ 21/03/17
InPO4 COD 2310636 Cmcm (63) ✔ 12 84 3 2.9447 3.247 0.000 (0;000) ✗ 27/01/17
Ba2SnO4 ICSD 27115 I4/mmm (139) ✔ 7 58 2 2.9448 3.211 0.000 (0;000) ✗ 05/01/17
MgGeO3 COD 9000961 C2/c (15) ✔ 20 128 3 2.9465 3.098 0.000 (0;000) ✗ 02/02/17
Ge2N2O ICSD 200839 Cmc2_1 (36) ✗ 10 48 3 2.9473 3.241 0.000 (0;000) ✗ 06/10/16
Sr2CdWO6 ICSD 71840 Pmm2 (25) ✗ 20 192 3 2.9479 3.050 0.000 (0;000) ✗ 11/04/17
K2CdN12 ICSD 31297 C2/m (12) ✔ 15 90 1 2.9481 2.992 0.000 (0;000) ✗ 02/02/17
H4C2NO2 ICSD 172054 C2/m (12) ✔ 18 58 1 2.951 2.996 0.000 (0;000) ✗ 27/01/17
ZnWO4 COD 2101675 P2/c (13) ✔ 12 128 3 2.9526 2.975 0.000 (0;000) ✗ 11/04/17
H5C4N3 COD 2207775 C2/c (15) ✔ 24 72 1 2.9527 2.971 0.000 (0;000) ✗ 04/08/17
SiS2 ICSD 16952 I-42d (122) ✗ 6 32 3 2.9532 3.090 0.000 (0;000) ✗ 06/10/16
NaIn(SiO3)2 COD 9003413 C2/c (15) ✔ 20 132 3 2.9551 3.020 0.000 (0;000) ✗ 02/02/17
Ge2N2O ICSD 200843 Cmc2_1 (36) ✗ 10 48 3 2.9558 3.277 0.000 (0;000) ✗ 06/10/16
LiH5C5N2O5 COD 2200233 P1 (1) ✗ 18 68 1 2.9567 3.022 0.000 (0;000) ✗ 15/02/17
Ba2WO3F4 ICSD 201653 Cc (9) ✗ 20 188 1 2.9569 2.976 0.000 (0;000) ✗ 11/04/17
YVO4 COD 9009764 I4_1/amd (141) ✔ 12 96 3 2.9575 2.958 0.000 (0;000) ✗ 27/01/17
KNa2BO3 ICSD 33261 Pmmn (59) ✔ 14 96 1 2.9589 3.196 0.000 (0;000) ✗ 05/01/17
CdCO3 COD 9000100 R-3c (167) ✔ 10 68 3 2.9606 3.873 0.000 (0;000) ✗ 27/01/17
RbIO4 COD 1521183 I4_1/a (88) ✔ 12 80 1 2.9615 2.980 0.000 (0;000) ✗ 02/02/17
K2MgCr2(H2O5)2 ICSD 96781 P-1 (2) ✔ 19 120 2 2.9615 2.991 0.000 (0;000) ✗ 02/02/17
Rb3TiF7 COD 1531504 P4/mbm (127) ✔ 22 176 1 2.9617 2.962 0.000 (0;000) ✗ 07/08/17
BaPb2BrF5 ICSD 411087 P4/nmm (129) ✔ 18 160 1 2.9629 3.107 0.000 (0;000) ✗ 02/02/17
MgGeN2 ICSD 636948 Pna2_1 (33) ✗ 16 96 3 2.9643 3.177 0.000 (0;000) ✗ 15/02/17
TeO2 ICSD 62897 P4_32_12 (96) ✗ 12 72 3 2.9657 3.040 0.000 (0;000) ✗ 06/10/16
AlBiO3 ICSD 185508 R3c (161) ✗ 10 52 3 2.9662 2.992 0.000 (0;000) ✗ 06/10/16
Li6WN4 ICSD 153620 P4_2/nmc (137) ✔ 22 132 1 2.9707 3.006 0.000 (0;000) ✗ 04/08/17
AlCdCl4 ICSD 59173 P-1 (2) ✔ 12 86 2 2.972 3.200 0.000 (0;000) ✗ 30/01/17
SnPCl9 ICSD 60094 Cmme (67) ✔ 22 164 1 2.9724 3.002 0.000 (0;000) ✗ 07/08/17
ZnF2 ICSD 20364 Pbcn (60) ✔ 12 104 3 2.9733 2.973 0.000 (0;000) ✗ 27/01/17
BaI2 COD 1527184 Pnma (62) ✔ 12 96 1 2.9738 2.974 0.000 (0;000) ✗ 02/02/17
Na3PS3O ICSD 98651 Cmc2_1 (36) ✗ 16 112 1 2.9751 2.975 0.000 (0;000) ✗ 29/03/17
Y3Tl5 ICSD 653335 Cmcm (63) ✔ 16 196 3 2.9751 0.014 1.000 (0;000) ✗ 29/03/17
AsHPbO4 ICSD 29552 P2/c (13) ✔ 14 88 3 2.9786 2.979 0.000 (0;000) ✗ 05/01/17
SnCl2 COD 2310517 Pnma (62) ✔ 12 112 1 2.9786 3.228 0.000 (0;000) ✗ 02/02/17
SrZrO3 COD 1521389 Pm-3m (221) ✔ 5 32 3 2.9809 2.981 0.000 (0;000) ✗ 27/01/17
NaBiF6 COD 1527497 R-3 (148) ✔ 8 66 1 2.9849 3.074 0.000 (0;000) ✗ 05/01/17
MgTa2O6 COD 2002433 P4_2/mnm (136) ✔ 18 144 3 2.9855 3.037 0.000 (0;000) ✗ 02/02/17
BiBO3 COD 7209481 P2_1/c (14) ✔ 20 144 3 2.9857 2.986 0.000 (0;000) ✗ 02/02/17
KCSeN ICSD 23951 P2_1/c (14) ✔ 16 96 1 2.9858 2.986 0.000 (0;000) ✗ 02/02/17
KHg2S(ClO)3 ICSD 419259 Cmc2_1 (36) ✗ 20 156 1 2.9864 3.223 0.000 (0;000) ✗ 22/03/17
Y3SbO7 ICSD 174071 Cmcm (63) ✔ 22 160 3 2.9866 3.270 0.000 (0;000) ✗ 07/08/17
CsNb(PO4)2 ICSD 88870 C2/m (12) ✔ 12 80 2 2.9869 3.070 0.000 (0;000) ✗ 02/02/17
K4GeO4 ICSD 37271 P-1 (2) ✔ 18 128 1 2.9874 3.055 0.000 (0;000) ✗ 02/02/17
Sr2SnO4 ICSD 150385 Cmce (64) ✔ 14 116 2 2.9875 3.009 0.000 (0;000) ✗ 02/02/17
PH8C4N3O4 COD 2221677 P1 (1) ✗ 20 68 1 2.9893 3.073 0.000 (0;000) ✗ 15/02/17
Ba2SrTeO6 ICSD 246109 R-3 (148) ✔ 10 72 3 2.991 3.038 0.000 (0;000) ✗ 05/01/17
HgH4C2(N2Cl)2 ICSD 405834 P1 (1) ✗ 13 58 2 2.994 3.054 0.000 (0;000) ✗ 15/02/17
BaReH9 ICSD 75460 P6_3/mmc (194) ✔ 22 68 1 2.9946 2.995 0.000 (0;000) ✗ 04/08/17
LiH COD 9008668 Fm-3m (225) ✔ 2 4 1 2.9949 2.995 0.000 (0;000) ✗ 27/01/17
AgClO4 ICSD 290704 Pnma (62) ✔ 24 168 3 2.995 2.995 0.000 (0;000) ✗ 04/08/17
ZnSnF6 ICSD 25012 R-3 (148) ✔ 8 68 3 2.9957 3.013 0.000 (0;000) ✗ 27/01/17
LiNbO3 ICSD 169697 R3c (161) ✗ 10 68 3 2.9964 3.103 0.000 (0;000) ✗ 06/10/16
CdSnF6 ICSD 25017 R-3 (148) ✔ 8 68 3 2.997 3.043 0.000 (0;000) ✗ 27/01/17
Cd2P2O7 COD 2208748 P-1 (2) ✔ 22 152 3 2.9988 3.347 0.000 (0;000) ✗ 04/08/17
Na3VSO3 ICSD 419401 R3c (161) ✗ 16 128 1 2.9992 2.999 0.000 (0;000) ✗ 29/03/17
LiIO3 COD 1529780 Pna2_1 (33) ✗ 20 112 1 2.9993 3.003 0.000 (0;000) ✗ 29/03/17
HCO COD 7100673 Pc (7) ✗ 24 88 1 3.0002 3.069 0.000 (0;000) ✗ 04/08/17
BaBiClO2 ICSD 79532 Cmcm (63) ✔ 10 88 1 3.0027 3.028 0.000 (0;000) ✗ 02/02/17
La2O3 ICSD 56166 P-3m1 (164) ✔ 5 24 3 3.0056 3.250 0.000 (0;000) ✗ 06/10/16
BiAsO4 COD 9011234 P2_1/c (14) ✔ 24 176 3 3.0064 3.123 0.000 (0;000) ✗ 04/08/17
Ge2N2O ICSD 200841 Cmc2_1 (36) ✗ 10 48 3 3.0081 3.306 0.000 (0;000) ✗ 06/10/16
NaHO ICSD 61045 Cmcm (63) ✔ 6 32 1 3.0099 3.010 0.000 (0;000) ✗ 27/01/17
AgBF4 COD 1509210 Pnma (62) ✔ 24 168 3 3.0125 3.013 0.000 (0;000) ✗ 04/08/17
Rb3NbO8 ICSD 407327 I-42m (121) ✗ 12 88 1 3.0135 3.184 0.000 (0;000) ✗ 07/10/16
Ba2SrWO6 ICSD 246115 R-3 (148) ✔ 10 80 1 3.0139 3.014 0.000 (0;000) ✗ 05/01/17
AgClO3 COD 8103389 I4/m (87) ✔ 20 144 3 3.0144 3.202 0.000 (0;000) ✗ 30/01/17
CSCl2O COD 7050458 P2_1/c (14) ✔ 20 120 1 3.0161 3.088 0.000 (0;000) ✗ 02/02/17
CaGa4O7 COD 2002230 C2/c (15) ✔ 24 208 3 3.0163 3.016 0.000 (0;000) ✗ 04/08/17
Na4GeO4 ICSD 61496 P-1 (2) ✔ 18 128 1 3.0167 3.101 0.000 (0;000) ✗ 02/02/17
GeBr4 COD 8102926 P2_1/c (14) ✔ 20 128 1 3.0218 3.068 0.000 (0;000) ✗ 02/02/17
Sr(AlSe2)2 ICSD 609319 Cccm (66) ✔ 14 80 1 3.0219 3.024 0.000 (0;000) ✗ 30/01/17
ReHgO4 ICSD 74885 P2_1/c (14) ✔ 24 204 3 3.022 3.022 0.000 (0;000) ✗ 04/08/17
TeO2 COD 1520934 P2_12_12_1 (19) ✗ 12 72 3 3.0222 3.190 0.000 (0;000) ✗ 15/02/17
V2Pb(OF4)2 ICSD 424541 P-1 (2) ✔ 13 108 2 3.0226 3.122 0.000 (0;000) ✗ 27/01/17
OsO4 ICSD 23803 C2/c (15) ✔ 10 80 1 3.023 3.060 0.000 (0;000) ✗ 04/08/17
K2MoSO3 ICSD 423989 C2/m (12) ✔ 14 112 1 3.0263 3.049 0.000 (0;000) ✗ 02/02/17
BeS ICSD 183373 F-43m (216) ✗ 2 10 1 3.0264 5.598 0.000 (0;000) ✗ 06/10/16
BaSiN2 COD 4311195 Cmce (64) ✔ 16 96 1 3.0265 3.093 0.000 (0;000) ✗ 02/02/17
SrZrO3 ICSD 89362 I4/mcm (140) ✔ 10 64 3 3.0289 3.029 0.000 (0;000) ✗ 27/01/17
CaInBr3 ICSD 54138 Cmcm (63) ✔ 10 88 1 3.0299 3.205 0.000 (0;000) ✗ 02/02/17
ZnSiN2 ICSD 656276 Pna2_1 (33) ✗ 16 104 3 3.0312 3.502 0.000 (0;000) ✗ 15/02/17
AlH3 COD 4307206 Pnnm (58) ✔ 24 36 3 3.0316 3.383 0.000 (0;000) ✗ 04/08/17
Zn(IO3)2 ICSD 54086 P2_1 (4) ✗ 18 124 3 3.0326 3.175 0.000 (0;000) ✗ 29/03/17
GaHgCl4 ICSD 413579 P-1 (2) ✔ 12 106 2 3.0339 3.159 0.000 (0;000) ✗ 02/02/17
Tl2MoO4 COD 2009101 P-3m1 (164) ✔ 14 128 3 3.034 3.116 0.000 (0;000) ✗ 02/02/17
Ge2N2O ICSD 34793 Cmc2_1 (36) ✗ 10 48 3 3.0353 3.257 0.000 (0;000) ✗ 06/10/16
Ca2SnO4 COD 1529022 Pbam (55) ✔ 14 116 1 3.0356 3.056 0.000 (0;000) ✗ 27/01/17
ZnTeMoO6 ICSD 250523 P2_12_12 (18) ✗ 18 136 2 3.0362 3.097 0.000 (0;000) ✗ 29/03/17
InGaBr4 ICSD 69652 P2/c (13) ✔ 24 216 2 3.0369 3.128 0.000 (0;000) ✗ 04/08/17
LiVO3 ICSD 2899 C2/c (15) ✔ 20 136 2 3.0371 3.197 0.000 (0;000) ✗ 02/02/17
TeH2NF5 ICSD 171449 P2_1 (4) ✗ 18 96 1 3.0378 3.109 0.000 (0;000) ✗ 22/03/17
Bi7O5F11 ICSD 167074 C2 (5) ✗ 23 212 3 3.0383 3.039 0.000 (0;000) ✗ 04/08/17
H3C5I2N COD 2012993 Fmm2 (42) ✗ 11 42 1 3.0403 3.220 0.000 (0;000) ✗ 15/02/17
RbGeIO6 ICSD 73613 P312 (149) ✗ 9 56 2 3.0426 3.244 0.000 (0;000) ✗ 15/02/17
Mg2VBiO6 ICSD 90908 Cmcm (63) ✔ 20 168 3 3.0454 3.076 0.000 (0;000) ✗ 07/08/17
KVO3 COD 1527491 Pbcm (57) ✔ 20 160 1 3.0491 3.071 0.000 (0;000) ✗ 02/02/17
HPbClO COD 9008250 Pnma (62) ✔ 16 112 1 3.0497 3.098 0.000 (0;000) ✗ 02/02/17
BCl COD 9008995 P4_2/nmc (137) ✔ 16 80 2 3.0503 3.056 0.000 (0;000) ✗ 02/02/17
TeSeO4 ICSD 201413 P1 (1) ✗ 12 72 3 3.0537 3.293 0.000 (0;000) ✗ 06/10/16
NaTl3(SO3)2 ICSD 1626 P-3m1 (164) ✔ 12 96 1 3.0547 3.215 0.000 (0;000) ✗ 02/02/17
Pb(CO)4 ICSD 248144 I4_1/amd (141) ✔ 18 108 3 3.0547 3.410 0.000 (0;000) ✗ 02/02/17
H3C2N COD 5000306 P-1 (2) ✔ 24 64 1 3.0551 3.102 0.000 (0;000) ✗ 04/08/17
Y6TeO12 ICSD 247820 R-3 (148) ✔ 19 144 3 3.0556 3.192 0.000 (0;000) ✗ 02/02/17
LiNbO3 ICSD 167130 R3c (161) ✗ 10 68 3 3.0567 3.070 0.000 (0;000) ✗ 06/10/16
Cs2SiS3 ICSD 409176 C2/m (12) ✔ 12 80 1 3.0578 3.089 0.000 (0;000) ✗ 02/02/17
CaSe ICSD 167834 F-43m (216) ✗ 2 16 1 3.0584 3.136 0.000 (0;000) ✗ 06/10/16
KGeNO ICSD 60002 Pca2_1 (29) ✗ 16 96 1 3.0607 3.061 0.000 (0;000) ✗ 22/03/17
YAlO3 COD 1008923 P6_3/mmc (194) ✔ 10 64 3 3.0644 3.469 0.000 (0;000) ✗ 05/01/17
Ca2BiAsO6 ICSD 91475 Cmc2_1 (36) ✗ 20 152 1 3.0653 3.083 0.000 (0;000) ✗ 21/03/17
CaH2 COD 4103660 Pnma (62) ✔ 12 48 1 3.0674 3.755 0.000 (0;000) ✗ 27/01/17
HgCS(OF)3 ICSD 98942 P-1 (2) ✔ 18 122 2 3.0675 3.167 0.000 (0;000) ✗ 07/08/17
Li7SbO6 COD 7221349 R3 (146) ✗ 14 62 1 3.0683 3.108 0.000 (0;000) ✗ 15/02/17
SbClF8 COD 1533112 P-1 (2) ✔ 20 136 1 3.0697 3.115 0.000 (0;000) ✗ 02/02/17
NaGaO2 ICSD 36652 Pna2_1 (33) ✗ 16 136 3 3.0736 3.074 0.000 (0;000) ✗ 22/03/17
Na2CN2 ICSD 411341 C2/m (12) ✔ 5 32 1 3.074 3.258 0.000 (0;000) ✗ 27/01/17
H4BrN ICSD 27724 P4/nmm (129) ✔ 12 32 1 3.0741 3.074 0.000 (0;000) ✗ 27/01/17
RbI ICSD 61523 Pm-3m (221) ✔ 2 16 1 3.0742 3.078 0.000 (0;000) ✗ 30/01/17
CsC2I3N2 ICSD 32521 Pmmn (59) ✔ 16 96 1 3.0749 3.166 0.000 (0;000) ✗ 02/02/17
BaAl4S7 COD 1518017 Pmn2_1 (31) ✗ 24 128 3 3.0756 3.286 0.000 (0;000) ✗ 04/08/17
KNO3 COD 9012754 Pnma (62) ✔ 20 128 1 3.0758 3.078 0.000 (0;000) ✗ 02/02/17
CdF2 COD 9009006 Fm-3m (225) ✔ 3 26 3 3.0777 3.498 0.000 (0;000) ✗ 27/01/17
BiPO4 COD 9008088 P3_121 (152) ✗ 18 132 3 3.0778 3.125 0.000 (0;000) ✗ 21/03/17
KSc(MoO4)2 ICSD 28019 P-3m1 (164) ✔ 12 96 3 3.0812 3.081 0.000 (0;000) ✗ 02/02/17
NaNbO3 ICSD 9645 R3c (161) ✗ 10 80 3 3.0821 3.082 0.000 (0;000) ✗ 06/10/16
TlHCO2 ICSD 110364 Pnna (52) ✔ 20 120 1 3.0824 3.082 0.000 (0;000) ✗ 02/02/17
MgH4(ClO5)2 COD 2104833 C2/m (12) ✔ 17 88 2 3.083 3.109 0.000 (0;000) ✗ 27/01/17
LiNbO3 ICSD 169696 R3c (161) ✗ 10 68 3 3.0848 3.185 0.000 (0;000) ✗ 06/10/16
KNO3 ICSD 260602 R3m (160) ✗ 5 32 1 3.0852 3.085 0.000 (0;000) ✗ 06/10/16
K3TaO8 ICSD 73104 I-42m (121) ✗ 12 88 1 3.0859 3.238 0.000 (0;000) ✗ 15/02/17
CaGeN2 ICSD 23523 I-42d (122) ✗ 8 48 3 3.0865 3.087 0.000 (0;000) ✗ 07/10/16
InBO3 COD 2010257 R-3c (167) ✔ 10 68 3 3.0882 3.509 0.000 (0;000) ✗ 05/01/17
RbNa2BO3 ICSD 67525 Pmmn (59) ✔ 14 96 1 3.0903 3.330 0.000 (0;000) ✗ 27/01/17
SbPO5 COD 1530584 C2/c (15) ✔ 14 80 3 3.0941 3.094 0.000 (0;000) ✗ 27/01/17
K3VSO3 ICSD 419400 P2_1/m (11) ✔ 16 128 1 3.0942 3.135 0.000 (0;000) ✗ 02/02/17
NaLiV2O6 ICSD 20836 C2/c (15) ✔ 20 148 1 3.095 3.183 0.000 (0;000) ✗ 02/02/17
Y2Ti2O7 COD 4030878 Fd-3m (227) ✔ 22 176 3 3.0961 3.096 0.000 (0;000) ✗ 07/08/17
RePbClO4 COD 2208194 Pmn2_1 (31) ✗ 14 120 3 3.0966 3.176 0.000 (0;000) ✗ 22/03/17
Ge2N2O ICSD 200840 Cmc2_1 (36) ✗ 10 48 3 3.0994 3.406 0.000 (0;000) ✗ 06/10/16
Sr2I2O COD 8102957 Ibam (72) ✔ 10 80 1 3.1001 3.225 0.000 (0;000) ✗ 02/02/17
Ba2CaTeO6 ICSD 246112 Fm-3m (225) ✔ 10 72 1 3.1007 3.101 0.000 (0;000) ✗ 05/01/17
Rb4PbBr6 ICSD 65300 R-3c (167) ✔ 22 184 1 3.1013 3.112 0.000 (0;000) ✗ 07/08/17
PBr3 ICSD 8052 Pnma (62) ✔ 16 104 1 3.1017 3.223 0.000 (0;000) ✗ 02/02/17
NaNb3O8 COD 1001745 Pmmn (59) ✔ 24 192 1 3.1021 3.402 0.000 (0;000) ✗ 04/08/17
CsMgI3 ICSD 87262 P6_3/mmc (194) ✔ 10 80 1 3.1028 3.128 0.000 (0;000) ✗ 02/02/17
K2Ge2Pb2O7 ICSD 30247 P-3 (147) ✔ 13 96 1 3.1033 3.303 0.000 (0;000) ✗ 02/02/17
In2Si2O7 COD 8101227 C2/m (12) ✔ 11 76 3 3.1038 3.104 0.000 (0;000) ✗ 27/01/17
Sr4I6O COD 2200256 P6_3mc (186) ✗ 22 176 1 3.1042 3.104 0.000 (0;000) ✗ 07/08/17
NaLiS ICSD 61091 P4/nmm (129) ✔ 6 36 1 3.1045 3.105 0.000 (0;000) ✗ 27/01/17
MgTeMoO6 ICSD 184714 P2_12_12 (18) ✗ 18 132 2 3.1056 3.166 0.000 (0;000) ✗ 29/03/17
LiNO3 ICSD 67981 R-3c (167) ✔ 10 52 2 3.109 3.486 0.000 (0;000) ✗ 27/01/17
CsNaC2 ICSD 189824 Pbcm (57) ✔ 16 104 1 3.1107 3.210 0.000 (0;000) ✗ 02/02/17
MgI2 COD 9009108 P-3m1 (164) ✔ 3 24 2 3.1114 3.286 0.000 (0;000) ✗ 30/01/17
Cs2AgCl3 COD 2310063 Pnma (62) ✔ 24 200 1 3.1119 3.112 0.000 (0;000) ✗ 04/08/17
KCdF3 ICSD 44788 Pm-3m (221) ✔ 5 42 3 3.1149 5.088 0.000 (0;000) ✗ 27/01/17
NaSbO3 COD 9005220 R-3 (148) ✔ 10 64 1 3.1157 3.254 0.000 (0;000) ✗ 27/01/17
ScCl3 ICSD 38235 R-3 (148) ✔ 8 64 2 3.1158 3.286 0.000 (0;000) ✗ 06/10/16
VInO4 COD 4336635 Cmcm (63) ✔ 12 100 3 3.1178 3.118 0.000 (0;000) ✗ 27/01/17
Sr2CdWO6 ICSD 71839 Fm-3m (225) ✔ 10 82 3 3.1187 3.218 0.000 (0;000) ✗ 27/01/17
PbSO3 ICSD 35360 Pnma (62) ✔ 20 152 3 3.1187 3.119 0.000 (0;000) ✗ 02/02/17
SnF2 COD 1523455 C2/c (15) ✔ 24 224 3 3.1191 3.119 0.000 (0;000) ✗ 04/08/17
LiGaBr3 ICSD 61338 P2_1/m (11) ✔ 20 148 1 3.1198 3.120 0.000 (0;000) ✗ 02/02/17
Li2ZrO3 COD 2300535 C2/c (15) ✔ 12 56 3 3.12 3.329 0.000 (0;000) ✗ 27/01/17
CsPb2Cl5 COD 4302867 I4/mcm (140) ✔ 16 144 2 3.12 3.294 0.000 (0;000) ✗ 02/02/17
SrBiClO2 ICSD 84636 Cmcm (63) ✔ 10 88 1 3.1208 3.196 0.000 (0;000) ✗ 05/01/17
ZnCl2 COD 9009136 R-3m (166) ✔ 3 26 2 3.1235 3.189 0.000 (0;000) ✗ 27/01/17
PbClF COD 1011046 P4/nmm (129) ✔ 6 56 2 3.1252 3.139 0.000 (0;000) ✗ 27/01/17
K2BeO2 ICSD 23633 P2_1/c (14) ✔ 20 136 3 3.1261 3.253 0.000 (0;000) ✗ 02/02/17
CaHI COD 9009167 P4/nmm (129) ✔ 6 36 1 3.1277 3.128 0.000 (0;000) ✗ 21/03/17
PbWO4 COD 9009815 I4_1/a (88) ✔ 12 132 3 3.1278 3.239 0.000 (0;000) ✗ 07/08/17
Mg2BiAsO6 ICSD 73895 Cmcm (63) ✔ 20 152 3 3.1285 3.129 0.000 (0;000) ✗ 30/01/17
BiF5 ICSD 25023 I4/m (87) ✔ 6 50 2 3.1288 3.527 0.000 (0;000) ✗ 05/01/17
P2Pb3O8 COD 2102273 R-3m (166) ✔ 13 100 1 3.1324 3.247 0.000 (0;000) ✗ 27/01/17
ZnSeO3 ICSD 163221 Pnma (62) ✔ 20 144 3 3.1331 3.445 0.000 (0;000) ✗ 29/03/17
Ba(Si3N4)2 ICSD 417444 Imm2 (44) ✗ 15 74 3 3.1372 3.321 0.000 (0;000) ✗ 15/02/17
CaPS3 ICSD 405192 P2_1/c (14) ✔ 20 132 1 3.1376 3.138 0.000 (0;000) ✗ 02/02/17
LiAlSe2 COD 4321118 Pna2_1 (33) ✗ 16 72 3 3.1395 3.140 0.000 (0;000) ✗ 16/03/17
SrPS3 ICSD 405191 P2_1/c (14) ✔ 20 132 1 3.1418 3.142 0.000 (0;000) ✗ 02/02/17
P4N3Cl11 ICSD 71913 R3 (146) ✗ 18 112 1 3.143 3.145 0.000 (0;000) ✗ 22/03/17
Ba3Nb2ZnO9 ICSD 157044 P-3m1 (164) ✔ 15 122 3 3.1434 3.342 0.000 (0;000) ✗ 02/02/17
RbTlF4 ICSD 4047 Pca2_1 (29) ✗ 24 200 1 3.1437 3.213 0.000 (0;000) ✗ 04/08/17
KBrO3 ICSD 33663 R3m (160) ✗ 5 34 1 3.1451 3.145 0.000 (0;000) ✗ 06/10/16
BN ICSD 162883 P2_1/c (14) ✔ 8 32 2 3.1457 3.540 0.000 (0;000) ✗ 06/10/16
KNO3 ICSD 260601 R3m (160) ✗ 5 32 1 3.1468 3.147 0.000 (0;000) ✗ 06/10/16
LiGaS2 COD 1531588 Pna2_1 (33) ✗ 16 112 3 3.1472 3.147 0.000 (0;000) ✗ 22/03/17
Ca2GeO4 COD 1527982 I4/mmm (139) ✔ 7 48 2 3.1506 3.559 0.000 (0;000) ✗ 27/01/17
RbScO2 ICSD 31959 R-3m (166) ✔ 4 32 2 3.1509 3.502 0.000 (0;000) ✗ 27/01/17
Sr2Ta2O7 COD 2106523 Cmc2_1 (36) ✗ 22 176 2 3.1509 3.166 0.000 (0;000) ✗ 07/08/17
Na4CO4 ICSD 245408 I-42m (121) ✗ 9 64 1 3.1526 3.153 0.000 (0;000) ✗ 07/10/16
CIF2 COD 7200677 P2_1/c (14) ✔ 16 100 1 3.1528 3.212 0.000 (0;000) ✗ 02/02/17
CsVO3 COD 1527493 Pbcm (57) ✔ 20 160 2 3.1543 3.166 0.000 (0;000) ✗ 02/02/17
Li2Ti3O7 ICSD 426263 P2_1/m (11) ✔ 24 168 3 3.1549 3.155 0.000 (0;000) ✗ 04/08/17
CO2 ICSD 188892 P2_12_12_1 (19) ✗ 24 128 3 3.1567 3.185 0.000 (0;000) ✗ 04/08/17
Ba2YNbO6 ICSD 172407 Fm-3m (225) ✔ 10 80 3 3.1567 3.157 0.000 (0;000) ✗ 05/01/17
ZnCdC4(SeN)4 COD 2208502 I-4 (82) ✗ 14 84 3 3.1605 3.333 0.000 (0;000) ✗ 21/03/17
SrH2 ICSD 155988 Pnma (62) ✔ 12 48 1 3.1611 3.845 0.000 (0;000) ✗ 27/01/17
RbLiCrO4 COD 2100905 P31c (159) ✗ 14 100 1 3.1623 3.225 0.000 (0;000) ✗ 22/03/17
BiF3 COD 7202532 Fm-3m (225) ✔ 4 36 3 3.1637 3.298 0.000 (0;000) ✗ 05/01/17
Rb2PdF6 ICSD 28675 Fm-3m (225) ✔ 9 78 1 3.1644 3.164 0.000 (0;000) ✗ 27/01/17
NaClO3 COD 1010512 P2_13 (198) ✗ 20 136 1 3.1663 3.168 0.000 (0;000) ✗ 22/03/17
Rb2CO3 ICSD 414122 Pnma (62) ✔ 24 160 1 3.1677 3.168 0.000 (0;000) ✗ 04/08/17
Ca(AsO3)2 ICSD 29534 P312 (149) ✗ 9 56 2 3.1687 3.461 0.000 (0;000) ✗ 06/10/16
RbVO3 COD 1527492 Pbcm (57) ✔ 20 160 1 3.1717 3.195 0.000 (0;000) ✗ 02/02/17
Na2GeTeO6 ICSD 88789 P-31c (163) ✔ 20 128 1 3.1747 3.278 0.000 (0;000) ✗ 02/02/17
HIO3 COD 2000582 P2_12_12_1 (19) ✗ 20 104 3 3.1754 3.229 0.000 (0;000) ✗ 29/03/17
Mg2PN3 ICSD 27229 Cmc2_1 (36) ✗ 12 80 3 3.1755 3.176 0.000 (0;000) ✗ 06/10/16
NaLi3(H2N)4 ICSD 201148 I-4 (82) ✗ 16 46 1 3.1757 3.289 0.000 (0;000) ✗ 15/02/17
GaH5(NF)2 ICSD 410880 C2/m (12) ✔ 20 84 2 3.1791 3.354 0.000 (0;000) ✗ 27/01/17
CdTeMoO6 ICSD 188038 P-42_1m (113) ✗ 18 136 2 3.1805 3.284 0.000 (0;000) ✗ 22/03/17
CdWO4 COD 9013915 P2/c (13) ✔ 12 128 3 3.1821 3.229 0.000 (0;000) ✗ 11/04/17
K3ScV2O8 ICSD 248844 P-3m1 (164) ✔ 14 112 2 3.1846 3.280 0.000 (0;000) ✗ 02/02/17
NaNO3 COD 2310364 R-3c (167) ✔ 10 64 2 3.1867 3.486 0.000 (0;000) ✗ 27/01/17
RbIn(WO4)2 ICSD 24859 P-3m1 (164) ✔ 12 126 3 3.1873 3.221 0.000 (0;000) ✗ 11/04/17
Na2ZnSiO4 COD 1009030 Pc (7) ✗ 16 116 3 3.1876 3.392 0.000 (0;000) ✗ 29/03/17
Ge4PbO9 COD 1530751 C2 (5) ✗ 14 84 3 3.188 3.292 0.000 (0;000) ✗ 15/02/17
LaBr3 ICSD 31581 P2_1/m (11) ✔ 8 48 3 3.1889 3.189 0.000 (0;000) ✗ 06/10/16
SrZrO3 COD 1528398 Pnma (62) ✔ 20 128 3 3.1899 3.190 0.000 (0;000) ✗ 02/02/17
Ba2Br2O ICSD 423479 Ibam (72) ✔ 10 80 1 3.1921 3.288 0.000 (0;000) ✗ 02/02/17
Cs3CdBr5 ICSD 39599 I4/mcm (140) ✔ 18 148 1 3.1932 3.193 0.000 (0;000) ✗ 21/03/17
RbCO2 ICSD 163587 Pbam (55) ✔ 16 100 1 3.1932 3.193 0.000 (0;000) ✗ 02/02/17
BaPS3 ICSD 412764 P2_1/c (14) ✔ 20 132 1 3.1945 3.195 0.000 (0;000) ✗ 02/02/17
K4Zr5O12 COD 1527401 P-3m1 (164) ✔ 21 128 3 3.1945 3.195 0.000 (0;000) ✗ 04/08/17
BaH2C2O5 ICSD 151115 C2/m (12) ✔ 20 100 1 3.1951 3.297 0.000 (0;000) ✗ 02/02/17
CaPbF6 ICSD 25522 Fm-3m (225) ✔ 8 66 3 3.1951 3.195 0.000 (0;000) ✗ 27/01/17
CaTiSiO5 COD 1011220 C2/c (15) ✔ 16 112 3 3.1981 3.228 0.000 (0;000) ✗ 27/01/17
KClO3 COD 2310654 Pnma (62) ✔ 20 136 1 3.1985 3.200 0.000 (0;000) ✗ 02/02/17
LiTaO3 ICSD 9540 R3c (161) ✗ 10 68 3 3.199 3.330 0.000 (0;000) ✗ 06/10/16
TlVO3 ICSD 6108 Pbcm (57) ✔ 20 176 1 3.2002 3.200 0.000 (0;000) ✗ 02/02/17
Ba2YTaO6 ICSD 171173 Fm-3m (225) ✔ 10 80 3 3.2003 3.200 0.000 (0;000) ✗ 05/01/17
PbCO3 COD 9008411 Pnma (62) ✔ 20 144 3 3.204 3.213 0.000 (0;000) ✗ 02/02/17
CdSe2O5 COD 2010004 C2/c (15) ✔ 16 108 3 3.2062 3.475 0.000 (0;000) ✗ 02/02/17
GaBr3 ICSD 413456 P2_1/c (14) ✔ 16 136 1 3.2077 3.208 0.000 (0;000) ✗ 02/02/17
CuB(CN)4 COD 4308583 P-43m (215) ✗ 10 50 3 3.2086 3.310 0.000 (0;000) ✗ 15/02/17
CaI2 COD 9009097 P-3m1 (164) ✔ 3 24 1 3.2103 3.908 0.000 (0;000) ✗ 21/03/17
K3NaCr2O8 COD 2101077 P-3m1 (164) ✔ 14 112 1 3.2103 3.214 0.000 (0;000) ✗ 02/02/17
Ca2TiSiO6 COD 9006455 Fm-3m (225) ✔ 10 72 3 3.211 3.211 0.000 (0;000) ✗ 27/01/17
RbCdF3 ICSD 49587 Pm-3m (221) ✔ 5 42 3 3.215 4.812 0.000 (0;000) ✗ 27/01/17
Na2TiSiO5 COD 9011189 P4/nmm (129) ✔ 18 128 2 3.217 3.424 0.000 (0;000) ✗ 02/02/17
Ba3Y4O9 ICSD 87118 R3 (146) ✗ 16 128 3 3.2201 3.222 0.000 (0;000) ✗ 21/03/17
NaVO3 ICSD 20556 C2/c (15) ✔ 20 160 1 3.2206 3.248 0.000 (0;000) ✗ 02/02/17
InPO4 ICSD 85579 Pnma (62) ✔ 24 168 3 3.2206 3.365 0.000 (0;000) ✗ 04/08/17
K4CO4 ICSD 245423 R3 (146) ✗ 9 64 3 3.2247 3.274 0.000 (0;000) ✗ 06/10/16
CsKC2 ICSD 189822 Pnma (62) ✔ 16 104 1 3.2247 3.231 0.000 (0;000) ✗ 02/02/17
CsBeH3 COD 4343938 P2_1/m (11) ✔ 10 32 1 3.2267 3.555 0.000 (0;000) ✗ 02/02/17
Cs2KScCl6 ICSD 59196 Fm-3m (225) ✔ 10 80 3 3.2291 3.229 0.000 (0;000) ✗ 02/02/17
LiGaAs2O7 ICSD 161500 C2 (5) ✗ 11 68 3 3.2297 3.364 0.000 (0;000) ✗ 15/02/17
SrCN2 COD 2204347 R-3m (166) ✔ 4 24 1 3.2298 4.229 0.000 (0;000) ✗ 27/01/17
Na6S2O9 ICSD 411442 Fm-3m (225) ✔ 17 120 1 3.2299 3.253 0.000 (0;000) ✗ 02/02/17
CaTiSiO5 COD 9001794 C2/c (15) ✔ 16 112 3 3.2315 3.237 0.000 (0;000) ✗ 22/03/17
Ca3WO6 ICSD 262323 P2_1/c (14) ✔ 20 160 1 3.2315 3.447 0.000 (0;000) ✗ 02/02/17
Ba3Ta2CdO9 ICSD 156335 P-3m1 (164) ✔ 15 122 3 3.2317 3.496 0.000 (0;000) ✗ 02/02/17
GeO2 ICSD 158598 Pmnn (58) ✔ 6 32 3 3.2329 3.286 0.000 (0;000) ✗ 06/10/16
PbCl2 COD 9009195 Pnma (62) ✔ 12 112 3 3.2349 3.329 0.000 (0;000) ✗ 02/02/17
GeO2 ICSD 23783 P4_12_12 (92) ✗ 12 64 3 3.2366 3.237 0.000 (0;000) ✗ 06/10/16
BCl3 ICSD 24526 P2_1/m (11) ✔ 8 48 1 3.2389 3.347 0.000 (0;000) ✗ 06/10/16
BCl3 COD 1511049 P6_3/m (176) ✔ 8 48 1 3.2405 3.349 0.000 (0;000) ✗ 02/02/17
YAsO4 COD 1010919 I4_1/amd (141) ✔ 12 80 3 3.2433 3.280 0.000 (0;000) ✗ 05/01/17
CsIO4 COD 1521182 Pnma (62) ✔ 24 160 1 3.2435 3.254 0.000 (0;000) ✗ 04/08/17
Li2TiO3 COD 1515995 C2/c (15) ✔ 24 144 2 3.2446 3.440 0.000 (0;000) ✗ 04/08/17
CoAg3(CN)6 ICSD 28501 P-31m (162) ✔ 16 104 3 3.2465 3.377 0.000 (0;000) ✗ 02/02/17
KBeH3 COD 4343937 P2_1/c (14) ✔ 20 64 1 3.2474 3.247 0.000 (0;000) ✗ 02/02/17
NaMgH3 COD 1525701 Pnma (62) ✔ 20 88 1 3.2476 3.320 0.000 (0;000) ✗ 02/02/17
ZnH2SeO5 ICSD 66749 C2/c (15) ✔ 18 100 3 3.248 3.248 0.000 (0;000) ✗ 27/01/17
Mg2As2O7 COD 1528705 C2/m (12) ✔ 11 72 3 3.2513 3.251 0.000 (0;000) ✗ 05/01/17
P COD 9013110 P-1 (2) ✔ 24 120 1 3.2513 3.259 0.000 (0;000) ✗ 02/02/17
HCO2 COD 4507991 P2_1/c (14) ✔ 16 68 1 3.2517 3.449 0.000 (0;000) ✗ 27/01/17
BaGaH5 ICSD 240693 P2_1 (4) ✗ 14 56 1 3.2526 3.526 0.000 (0;000) ✗ 15/02/17
TlClO4 COD 5910345 Pnma (62) ✔ 24 176 1 3.2528 3.397 0.000 (0;000) ✗ 04/08/17
NaVCdO4 ICSD 151411 Cmcm (63) ✔ 14 116 3 3.2542 3.254 0.000 (0;000) ✗ 27/01/17
SnClF ICSD 647 Pnma (62) ✔ 12 112 2 3.2601 3.299 0.000 (0;000) ✗ 02/02/17
GaHO2 ICSD 420004 Pmn2_1 (31) ✗ 8 52 3 3.2621 3.336 0.000 (0;000) ✗ 15/02/17
RbNO3 COD 2106532 Pmmn (59) ✔ 10 64 1 3.2649 3.265 0.000 (0;000) ✗ 27/01/17
Rb2CdCl4 ICSD 51168 I4/mmm (139) ✔ 7 58 2 3.2651 3.747 0.000 (0;000) ✗ 02/02/17
Sr(Si3N4)2 ICSD 391265 Imm2 (44) ✗ 15 74 3 3.2652 3.666 0.000 (0;000) ✗ 15/02/17
BaCa(GaO2)4 COD 2008101 Imm2 (44) ✗ 14 120 3 3.2657 3.266 0.000 (0;000) ✗ 15/02/17
MgO ICSD 181458 P6_3/mmc (194) ✔ 4 32 3 3.275 3.275 0.000 (0;000) ✗ 27/01/17
RbBeH3 COD 4343941 P2_1/c (14) ✔ 20 64 1 3.2803 3.280 0.000 (0;000) ✗ 02/02/17
C3N4 ICSD 41950 P6_3/m (176) ✔ 14 64 3 3.2842 3.578 0.000 (0;000) ✗ 27/01/17
KAlO2 COD 2105208 Fd-3m (227) ✔ 8 48 0 3.2866 3.290 0.000 (0;000) ✗ 05/01/17
BaHCl COD 9009159 P4/nmm (129) ✔ 6 36 1 3.2871 3.287 0.000 (0;000) ✗ 05/01/17
H4N2O3 ICSD 24013 Pmmn (59) ✔ 18 64 1 3.2893 3.361 0.000 (0;000) ✗ 27/01/17
KNaV2O6 COD 2008659 C2/c (15) ✔ 20 160 1 3.29 3.290 0.000 (0;000) ✗ 02/02/17
Li2SnO3 ICSD 21053 C2/c (15) ✔ 24 152 2 3.2923 3.543 0.000 (0;000) ✗ 04/08/17
SrO COD 7200689 Fm-3m (225) ✔ 2 16 1 3.293 3.362 0.000 (0;000) ✗ 27/01/17
B2AsCl2 ICSD 80153 P-1 (2) ✔ 20 100 2 3.294 3.350 0.000 (0;000) ✗ 30/01/17
H3C2O COD 2216740 P-1 (2) ✔ 24 68 2 3.2998 3.326 0.000 (0;000) ✗ 04/08/17
NaI COD 9008681 Fm-3m (225) ✔ 2 16 1 3.3039 3.304 0.000 (0;000) ✗ 30/01/17
KCdF3 COD 1530090 Pnma (62) ✔ 20 168 3 3.3039 3.304 0.000 (0;000) ✗ 02/02/17
AlN ICSD 181066 F-43m (216) ✗ 2 8 3 3.3052 4.020 0.000 (0;000) ✗ 06/10/16
Na2GeO3 ICSD 1622 Ccm2_1 (36) ✗ 12 80 1 3.3058 3.615 0.000 (0;000) ✗ 06/10/16
CdSeO3 COD 2009816 Pnma (62) ✔ 20 144 3 3.3067 3.472 0.000 (0;000) ✗ 02/02/17
Rb2CaH4 ICSD 65196 I4/mmm (139) ✔ 7 32 1 3.3079 3.308 0.000 (0;000) ✗ 27/01/17
RbNbAsClO5 ICSD 85758 P4/nmm (129) ✔ 18 128 2 3.3107 3.329 0.000 (0;000) ✗ 30/01/17
LiRe(OF2)2 COD 4321982 P-42_1m (113) ✗ 16 116 1 3.3117 3.315 0.000 (0;000) ✗ 15/02/17
LiIn(IO3)4 ICSD 422056 P-1 (2) ✔ 18 116 2 3.3117 3.326 0.000 (0;000) ✗ 02/02/17
Na3ScBr6 ICSD 401335 P-31c (163) ✔ 20 160 1 3.3129 3.319 0.000 (0;000) ✗ 02/02/17
MgS ICSD 159401 F-43m (216) ✗ 2 16 3 3.3139 3.314 0.000 (0;000) ✗ 06/10/16
KNO3 ICSD 71398 R3m (160) ✗ 5 32 1 3.3139 3.314 0.000 (0;000) ✗ 06/10/16
AsCl2F3 ICSD 33884 P4/n (85) ✔ 24 160 1 3.3147 3.340 0.000 (0;000) ✗ 04/08/17
H4C3O2 COD 2203632 P-1 (2) ✔ 18 56 1 3.317 3.317 0.000 (0;000) ✗ 27/01/17
BiPO4 COD 7023719 P2_1/c (14) ✔ 24 176 1 3.3191 3.364 0.000 (0;000) ✗ 04/08/17
K2CO3 ICSD 52535 P6_3/mmc (194) ✔ 12 80 1 3.3215 3.322 0.000 (0;000) ✗ 27/01/17
NaI3O8 ICSD 418336 P-4 (81) ✗ 24 156 2 3.3231 3.422 0.000 (0;000) ✗ 04/08/17
Zn2SiH2O5 COD 9008269 Imm2 (44) ✗ 20 120 3 3.3232 3.515 0.000 (0;000) ✗ 29/03/17
Li2ZnGeO4 ICSD 34362 Pc (7) ✗ 16 92 3 3.3234 3.361 0.000 (0;000) ✗ 15/02/17
K2Ti2O5 ICSD 36097 C2/m (12) ✔ 9 72 2 3.3234 3.597 0.000 (0;000) ✗ 27/01/17
Sr2CaWO6 COD 2104688 P2_1/c (14) ✔ 20 160 1 3.3236 3.434 0.000 (0;000) ✗ 02/02/17
HfO2 ICSD 83863 Pnma (62) ✔ 12 96 3 3.3241 3.324 0.000 (0;000) ✗ 27/01/17
Na4CO4 ICSD 245412 R3 (146) ✗ 9 64 1 3.325 3.663 0.000 (0;000) ✗ 06/10/16
NbInO4 COD 1524100 P2/c (13) ✔ 12 100 3 3.3256 3.449 0.000 (0;000) ✗ 27/01/17
Na2TeO3 COD 1524895 P2_1/c (14) ✔ 24 168 1 3.3269 3.384 0.000 (0;000) ✗ 04/08/17
K2CN2 ICSD 411094 C2/m (12) ✔ 5 32 1 3.3274 3.327 0.000 (0;000) ✗ 27/01/17
GaBN2 ICSD 187049 P-4m2 (115) ✗ 4 26 3 3.328 3.344 0.000 (0;000) ✗ 06/10/16
Na2CrO4 COD 1010023 Cmcm (63) ✔ 14 112 1 3.3328 3.360 0.000 (0;000) ✗ 27/01/17
Ba2Cd(BO3)2 ICSD 180954 C2/m (12) ✔ 11 74 2 3.3341 3.334 0.000 (0;000) ✗ 05/01/17
TaAlO4 COD 9004254 Pbcn (60) ✔ 24 160 3 3.3363 3.479 0.000 (0;000) ✗ 04/08/17
CsTa(BO3)2 ICSD 80423 Pmn2_1 (31) ✗ 20 128 3 3.3373 3.616 0.000 (0;000) ✗ 21/03/17
Li6TeO6 ICSD 40247 R-3 (148) ✔ 13 60 1 3.3411 3.564 0.000 (0;000) ✗ 27/01/17
H10C9O4 COD 2229064 P1 (1) ✗ 23 70 1 3.3437 3.523 0.000 (0;000) ✗ 04/08/17
ScBrO COD 2206575 Pmmn (59) ✔ 6 48 2 3.3438 3.344 0.000 (0;000) ✗ 27/01/17
Cd(CO2)2 COD 2012182 P2_1/c (14) ✔ 14 88 3 3.3446 3.396 0.000 (0;000) ✗ 27/01/17
Li3BN2 ICSD 155127 I4_1/amd (141) ✔ 24 88 1 3.346 3.346 0.000 (0;000) ✗ 04/08/17
Al3GaN4 ICSD 187056 P-43m (215) ✗ 8 42 3 3.347 3.347 0.000 (0;000) ✗ 06/10/16
RbLiCrO4 COD 2100906 P6_3 (173) ✗ 14 100 1 3.3493 3.409 0.000 (0;000) ✗ 22/03/17
KAs4ClO6 ICSD 65205 P6/mmm (191) ✔ 12 72 1 3.35 3.425 0.000 (0;000) ✗ 30/01/17
H5C3NCl COD 7101077 P-1 (2) ✔ 20 58 1 3.3502 3.410 0.000 (0;000) ✗ 27/01/17
BN ICSD 162880 Cc (9) ✗ 8 32 3 3.3515 4.168 0.000 (0;000) ✗ 06/10/16
Sr2H3NO6 ICSD 415799 P-62m (189) ✗ 12 64 1 3.355 3.611 0.000 (0;000) ✗ 15/02/17
K4Be3O5 ICSD 33808 C2/c (15) ✔ 24 156 1 3.3568 3.409 0.000 (0;000) ✗ 04/08/17
H3AuC2NCl ICSD 152108 P2_1 (4) ✗ 16 68 1 3.3571 3.585 0.000 (0;000) ✗ 21/03/17
LiI ICSD 44781 P6_3/mmc (194) ✔ 4 20 1 3.3576 3.358 0.000 (0;000) ✗ 30/01/17
Pb2S(O2F)2 COD 9001320 C2/c (15) ✔ 18 144 3 3.3582 3.404 0.000 (0;000) ✗ 02/02/17
Ba(SbO3)2 COD 2009658 P-31m (162) ✔ 9 56 2 3.3588 3.441 0.000 (0;000) ✗ 05/01/17
SnF3 ICSD 33786 Fm-3m (225) ✔ 8 70 3 3.359 4.041 0.000 (0;000) ✗ 27/01/17
LiH3C2O5 ICSD 246786 P1 (1) ✗ 11 44 1 3.3618 3.471 0.000 (0;000) ✗ 15/02/17
Be3N2 ICSD 25656 P6_3/mmc (194) ✔ 10 44 1 3.3628 4.793 0.000 (0;000) ✗ 02/02/17
Li2TiSiO5 ICSD 87596 P4/nmm (129) ✔ 18 104 2 3.363 3.614 0.000 (0;000) ✗ 04/08/17
H4N2O3 ICSD 2772 Pmmn (59) ✔ 18 64 1 3.3632 3.392 0.000 (0;000) ✗ 27/01/17
Li2S COD 9009060 Fm-3m (225) ✔ 3 12 1 3.3651 4.208 0.000 (0;000) ✗ 27/01/17
Ca(SbO3)2 COD 2009656 P-31m (162) ✔ 9 56 2 3.3652 3.658 0.000 (0;000) ✗ 27/01/17
RbScO2 ICSD 31960 P6_3/mmc (194) ✔ 8 64 2 3.3665 3.766 0.000 (0;000) ✗ 06/10/16
CsGaS2 COD 1529692 C2/c (15) ✔ 8 68 1 3.367 3.379 0.000 (0;000) ✗ 02/02/17
SnPbF4 ICSD 152955 P4/nmm (129) ✔ 12 112 1 3.3685 3.500 0.000 (0;000) ✗ 02/02/17
TiCl4 COD 9007929 P2_1/c (14) ✔ 20 160 1 3.374 3.414 0.000 (0;000) ✗ 07/08/17
K2MgH4 ICSD 68358 I4/mmm (139) ✔ 7 32 1 3.3744 3.781 0.000 (0;000) ✗ 27/01/17
CaBiClO2 ICSD 84635 P2_1/m (11) ✔ 10 88 1 3.3755 3.652 0.000 (0;000) ✗ 05/01/17
Na2TiGeO5 ICSD 91546 P4/nmm (129) ✔ 18 128 2 3.3762 3.552 0.000 (0;000) ✗ 02/02/17
Na4CO4 ICSD 245413 Cm (8) ✗ 9 64 1 3.3773 3.693 0.000 (0;000) ✗ 06/10/16
Cs3As5O9 ICSD 413151 P31m (157) ✗ 17 106 1 3.3799 3.469 0.000 (0;000) ✗ 21/03/17
PbSeO4 COD 5910191 Pnma (62) ✔ 24 176 3 3.3813 3.511 0.000 (0;000) ✗ 04/08/17
KC COD 1521141 I4_1/acd (142) ✔ 16 104 1 3.3837 3.412 0.000 (0;000) ✗ 02/02/17
Zn4B6O13 COD 1511638 I-43m (217) ✗ 23 144 3 3.3838 3.384 0.000 (0;000) ✗ 04/08/17
NbPO5 COD 1517726 P4/nmm (129) ✔ 14 96 3 3.3846 3.666 0.000 (0;000) ✗ 27/01/17
PbSeO4 COD 9014223 P2_1/c (14) ✔ 24 176 3 3.3853 3.505 0.000 (0;000) ✗ 04/08/17
GaAsO4 COD 1518032 P3_121 (152) ✗ 18 126 3 3.387 3.502 0.000 (0;000) ✗ 21/03/17
Na4TiO4 ICSD 69621 P-1 (2) ✔ 18 144 1 3.3873 3.439 0.000 (0;000) ✗ 02/02/17
PBr3O COD 2106216 Pnma (62) ✔ 20 128 1 3.3896 3.488 0.000 (0;000) ✗ 02/02/17
BaAl2Sb2O7 ICSD 154362 R32 (155) ✗ 12 68 2 3.3911 3.600 0.000 (0;000) ✗ 16/03/17
AgC2N3 COD 9007855 Pnma (62) ✔ 24 136 3 3.3948 3.569 0.000 (0;000) ✗ 04/08/17
Ca4Al6O13 COD 1527947 I-43m (217) ✗ 23 136 3 3.3952 3.473 0.000 (0;000) ✗ 04/08/17
FeSn2(CN)6 ICSD 51494 P-3 (147) ✔ 15 90 3 3.3964 3.449 0.000 (0;000) ✗ 02/02/17
NaAlI4 ICSD 400521 Pnma (62) ✔ 24 160 1 3.3972 3.397 0.000 (0;000) ✗ 04/08/17
C COD 9012242 P6_3/mmc (194) ✔ 4 16 3 3.3976 4.784 0.000 (0;000) ✗ 27/01/17
CdCl2 COD 9009125 R-3m (166) ✔ 3 26 2 3.401 3.597 0.000 (0;000) ✗ 27/01/17
Cs2CdCl4 COD 2310671 I4/mmm (139) ✔ 7 58 2 3.4013 3.913 0.000 (0;000) ✗ 02/02/17
AgC2N3 ICSD 843 P3_121 (152) ✗ 18 102 3 3.4019 3.423 0.000 (0;000) ✗ 21/03/17
Na3MoNO3 ICSD 98673 Pmn2_1 (31) ✗ 16 128 1 3.4025 3.551 0.000 (0;000) ✗ 29/03/17
KYO2 ICSD 49650 R-3m (166) ✔ 4 32 2 3.4027 3.622 0.000 (0;000) ✗ 27/01/17
Sr(SbO3)2 COD 2009657 P-31m (162) ✔ 9 56 2 3.4073 3.605 0.000 (0;000) ✗ 27/01/17
VOF3 COD 4339753 P2_1/c (14) ✔ 20 160 2 3.4086 3.433 0.000 (0;000) ✗ 02/02/17
C5NCl5 COD 7221875 Pc (7) ✗ 22 120 1 3.4089 3.409 0.000 (0;000) ✗ 04/08/17
NaCdF3 ICSD 163866 R3c (161) ✗ 10 84 3 3.4133 3.413 0.000 (0;000) ✗ 06/10/16
CaMoO4 COD 9009638 I4_1/a (88) ✔ 12 96 1 3.4169 3.417 0.000 (0;000) ✗ 27/01/17
LiIO3 ICSD 14377 P6_3 (173) ✗ 10 56 1 3.4203 3.524 0.000 (0;000) ✗ 06/10/16
ZrO2 COD 1522143 P2_1/c (14) ✔ 12 64 3 3.4213 3.421 0.000 (0;000) ✗ 27/01/17
Na6CdCl8 ICSD 35070 Fm-3m (225) ✔ 15 122 2 3.4215 3.422 0.000 (0;000) ✗ 02/02/17
HgCl2 COD 1010620 Pnma (62) ✔ 12 104 2 3.4224 3.429 0.000 (0;000) ✗ 02/02/17
Mg2BBrN2 ICSD 261620 C2/c (15) ✔ 12 80 3 3.4236 3.781 0.000 (0;000) ✗ 05/01/17
CdF2 ICSD 183501 Pnma (62) ✔ 12 104 3 3.4237 3.449 0.000 (0;000) ✗ 27/01/17
Ca2MgWO6 COD 2013469 P2_1/c (14) ✔ 20 160 3 3.4238 3.484 0.000 (0;000) ✗ 02/02/17
CdSO4 ICSD 100317 Pn2_1m (31) ✗ 12 84 3 3.4241 3.718 0.000 (0;000) ✗ 06/10/16
Te2SO7 COD 7035628 Pmn2_1 (31) ✗ 20 120 3 3.4249 3.454 0.000 (0;000) ✗ 29/03/17
CS2NF5 ICSD 413754 P-1 (2) ✔ 18 112 1 3.4262 3.430 0.000 (0;000) ✗ 02/02/17
BaPbF6 ICSD 25521 R-3m (166) ✔ 8 66 1 3.4266 3.427 0.000 (0;000) ✗ 05/01/17
CsCdF3 ICSD 49582 Pm-3m (221) ✔ 5 42 3 3.4268 4.435 0.000 (0;000) ✗ 27/01/17
K3GeH2NO3 ICSD 79078 P-1 (2) ✔ 20 112 1 3.4275 3.479 0.000 (0;000) ✗ 02/02/17
H4C9OF4 COD 7204880 P1 (1) ✗ 18 74 1 3.4283 3.555 0.000 (0;000) ✗ 15/02/17
LiNbO3 ICSD 169695 R3c (161) ✗ 10 68 3 3.429 3.550 0.000 (0;000) ✗ 06/10/16
BaHBr COD 9009158 P4/nmm (129) ✔ 6 36 1 3.4293 3.429 0.000 (0;000) ✗ 05/01/17
Li5SbO5 COD 1530019 C2/m (12) ✔ 11 50 1 3.4302 3.733 0.000 (0;000) ✗ 27/01/17
Zn2PHO5 COD 9009553 P-1 (2) ✔ 18 120 3 3.4318 3.541 0.000 (0;000) ✗ 27/01/17
KH COD 9008653 Fm-3m (225) ✔ 2 10 1 3.434 3.434 0.000 (0;000) ✗ 27/01/17
Li3BN2 ICSD 41022 P2_1/c (14) ✔ 24 88 1 3.4359 3.802 0.000 (0;000) ✗ 04/08/17
LiNbO3 ICSD 164260 R3c (161) ✗ 10 68 3 3.4367 3.460 0.000 (0;000) ✗ 06/10/16
LiNbO3 ICSD 28294 R3c (161) ✗ 10 68 3 3.4374 3.461 0.000 (0;000) ✗ 06/10/16
PH4I ICSD 22083 P4/nmm (129) ✔ 12 32 1 3.441 3.570 0.000 (0;000) ✗ 29/03/17
LiNbO3 ICSD 155361 R3c (161) ✗ 10 68 3 3.4414 3.465 0.000 (0;000) ✗ 06/10/16
RbSO4F ICSD 8275 P-1 (2) ✔ 14 92 1 3.4419 3.442 0.000 (0;000) ✗ 02/02/17
Mg2BiPO6 ICSD 73894 Cmcm (63) ✔ 20 152 3 3.4419 3.449 0.000 (0;000) ✗ 02/02/17
BaSiO3 COD 9010192 R-3m (166) ✔ 15 96 3 3.4421 3.543 0.000 (0;000) ✗ 05/01/17
CaSnO3 COD 1004022 R-3 (148) ✔ 10 84 1 3.4424 3.721 0.000 (0;000) ✗ 27/01/17
CsNO3 COD 2106533 Pmmn (59) ✔ 10 64 1 3.4434 3.443 0.000 (0;000) ✗ 27/01/17
NaCdF3 ICSD 163867 R3c (161) ✗ 10 84 3 3.449 3.449 0.000 (0;000) ✗ 06/10/16
SiO2 ICSD 75668 Pc (7) ✗ 12 64 3 3.4494 3.876 0.000 (0;000) ✗ 06/10/16
SrTeO3 ICSD 182023 P2_1/c (14) ✔ 20 136 1 3.4504 3.491 0.000 (0;000) ✗ 02/02/17
LiTlPHO3 ICSD 201040 C2 (5) ✗ 14 80 1 3.4505 3.514 0.000 (0;000) ✗ 15/02/17
LiTaO3 ICSD 84226 R3c (161) ✗ 10 68 3 3.4507 3.498 0.000 (0;000) ✗ 06/10/16
LiNbO3 ICSD 164933 R3c (161) ✗ 10 68 3 3.4522 3.474 0.000 (0;000) ✗ 06/10/16
C COD 9012238 Ia3 (206) ✔ 8 32 3 3.4586 3.459 0.000 (0;000) ✗ 27/01/17
HgBrO3 ICSD 31925 C2/c (15) ✔ 20 148 2 3.4599 3.523 0.000 (0;000) ✗ 02/02/17
Li3SbO4 COD 2012121 P2/c (13) ✔ 16 76 1 3.4604 3.474 0.000 (0;000) ✗ 27/01/17
Ca3V2O8 COD 9014364 C2/m (12) ✔ 13 104 1 3.4615 3.672 0.000 (0;000) ✗ 27/01/17
NaClO4 COD 1010214 Cmcm (63) ✔ 12 80 1 3.4632 3.634 0.000 (0;000) ✗ 27/01/17
LiNbO3 ICSD 155360 R3c (161) ✗ 10 68 3 3.4643 3.506 0.000 (0;000) ✗ 06/10/16
MgSiN2 ICSD 44109 I-42d (122) ✗ 8 48 3 3.4662 3.893 0.000 (0;000) ✗ 07/10/16
NaCaVO4 ICSD 32573 Cmcm (63) ✔ 14 112 1 3.467 3.486 0.000 (0;000) ✗ 27/01/17
CsMoO2F3 ICSD 9710 Imma (74) ✔ 14 112 1 3.4674 3.490 0.000 (0;000) ✗ 02/02/17
SrBr2 COD 9009205 Pnma (62) ✔ 12 96 1 3.4695 3.470 0.000 (0;000) ✗ 02/02/17
NaNO ICSD 66978 P2_1/c (14) ✔ 24 160 1 3.4734 3.473 0.000 (0;000) ✗ 04/08/17
CaN6 ICSD 412259 Fddd (70) ✔ 14 80 1 3.4748 3.475 0.000 (0;000) ✗ 27/01/17
As2O3 COD 4506960 P2_1/c (14) ✔ 20 112 2 3.4753 3.656 0.000 (0;000) ✗ 30/01/17
BiPO4 COD 7023720 P2_1/m (11) ✔ 12 88 3 3.4763 3.555 0.000 (0;000) ✗ 05/01/17
LiMgVO4 ICSD 63477 Cmcm (63) ✔ 14 100 3 3.4781 3.478 0.000 (0;000) ✗ 27/01/17
K2Al2Sb2O7 COD 2010514 P-3m1 (164) ✔ 13 76 1 3.4792 3.657 0.000 (0;000) ✗ 30/01/17
Li3BN2 COD 1511227 P4_2/mnm (136) ✔ 12 44 1 3.4812 4.061 0.000 (0;000) ✗ 27/01/17
ScCl3 ICSD 74517 R-3 (148) ✔ 8 64 2 3.482 3.639 0.000 (0;000) ✗ 02/02/17
HC3Cl2 COD 2100447 P-1 (2) ✔ 24 108 1 3.4831 3.649 0.000 (0;000) ✗ 04/08/17
LiGaO2 COD 1526802 Pna2_1 (33) ✗ 16 112 3 3.4861 3.487 0.000 (0;000) ✗ 15/02/17
SrGeTeO6 ICSD 88790 P312 (149) ✗ 9 56 2 3.4878 3.771 0.000 (0;000) ✗ 15/02/17
Hg(C2F3)2 ICSD 165635 P-1 (2) ✔ 11 70 1 3.4881 3.797 0.000 (0;000) ✗ 27/01/17
ZrO2 COD 1526427 P4_2/nmc (137) ✔ 6 32 3 3.4892 3.667 0.000 (0;000) ✗ 27/01/17
ZrCl4 ICSD 26049 P2/c (13) ✔ 10 64 1 3.4913 3.573 0.000 (0;000) ✗ 02/02/17
Cs2CO3 COD 1527331 P2_1/c (14) ✔ 24 160 3 3.4916 3.511 0.000 (0;000) ✗ 04/08/17
CBr3F ICSD 72370 Pnma (62) ✔ 20 128 1 3.4942 3.524 0.000 (0;000) ✗ 02/02/17
RbScO2 COD 1528203 P6_3/mmc (194) ✔ 8 64 2 3.4955 3.922 0.000 (0;000) ✗ 27/01/17
TaAgF6 COD 1509333 P4_2/mcm (132) ✔ 16 132 3 3.4968 3.507 0.000 (0;000) ✗ 30/01/17
CaZrO3 COD 1532747 Pnma (62) ✔ 20 128 3 3.4975 3.498 0.000 (0;000) ✗ 02/02/17
LiGaBr4 ICSD 61337 P2_1/c (14) ✔ 24 176 1 3.4986 3.499 0.000 (0;000) ✗ 04/08/17
Mg2GeO4 COD 9010486 Fd-3m (227) ✔ 14 96 3 3.5003 3.500 0.000 (0;000) ✗ 27/01/17
Cs2LiInCl6 ICSD 65735 R-3m (166) ✔ 20 152 1 3.5009 3.501 0.000 (0;000) ✗ 22/03/17
K4CO4 ICSD 245425 I-4 (82) ✗ 9 64 3 3.5033 3.565 0.000 (0;000) ✗ 06/10/16
YVO4 ICSD 174550 I4_1/a (88) ✔ 12 96 3 3.5058 3.536 0.000 (0;000) ✗ 27/01/17
ZnF2 COD 9007539 P4_2/mnm (136) ✔ 6 52 3 3.5066 3.507 0.000 (0;000) ✗ 27/01/17
AlClO COD 9009194 Pmmn (59) ✔ 6 32 2 3.5066 3.673 0.000 (0;000) ✗ 05/01/17
Te2O3F2 ICSD 82162 P-1 (2) ✔ 14 88 2 3.5099 3.574 0.000 (0;000) ✗ 02/02/17
ZrO2 COD 9009919 Pca2_1 (29) ✗ 12 64 3 3.5103 3.622 0.000 (0;000) ✗ 15/02/17
CaH2CClO3 ICSD 95291 C2/m (12) ✔ 16 82 1 3.5109 3.606 0.000 (0;000) ✗ 27/01/17
SbIrSe ICSD 640966 P2_13 (198) ✗ 12 112 3 3.5112 1.511 1.000 (0;000) ✗ 29/03/17
TaBO4 COD 1511288 I4_1/amd (141) ✔ 12 80 3 3.5135 3.581 0.000 (0;000) ✗ 27/01/17
Sn2ClF3 COD 4031432 P2_12_12_1 (19) ✗ 24 224 3 3.5136 3.539 0.000 (0;000) ✗ 04/08/17
HOF ICSD 63681 P2_12_12_1 (19) ✗ 12 56 1 3.5169 3.518 0.000 (0;000) ✗ 15/02/17
LiHS COD 1532755 Pmc2_1 (26) ✗ 12 40 1 3.5171 3.517 0.000 (0;000) ✗ 15/02/17
NaTaGeO5 COD 2102920 C2/c (15) ✔ 16 112 3 3.5172 3.518 0.000 (0;000) ✗ 02/02/17
Ba3SiO5 COD 2106454 I4/mcm (140) ✔ 18 128 1 3.5175 3.553 0.000 (0;000) ✗ 02/02/17
SrI2 ICSD 203137 Pnma (62) ✔ 12 96 1 3.5183 3.518 0.000 (0;000) ✗ 02/02/17
Rb2ZrCl6 COD 1010223 Fm-3m (225) ✔ 9 64 1 3.5199 3.520 0.000 (0;000) ✗ 02/02/17
SnF4 COD 1528582 I4/mmm (139) ✔ 5 42 2 3.52 3.723 0.000 (0;000) ✗ 27/01/17
BeI2 COD 1526852 Ibam (72) ✔ 6 36 1 3.5201 3.752 0.000 (0;000) ✗ 02/02/17
K2CO3 ICSD 662 C2/c (15) ✔ 12 80 1 3.5203 3.520 0.000 (0;000) ✗ 27/01/17
SeO2 ICSD 99464 Pmc2_1 (26) ✗ 12 72 2 3.521 3.788 0.000 (0;000) ✗ 15/02/17
CdPd(CN)6 ICSD 6093 Fm-3m (225) ✔ 14 84 3 3.5232 3.633 0.000 (0;000) ✗ 02/02/17
CaSn2F6 COD 1526708 P-1 (2) ✔ 18 160 1 3.5254 3.609 0.000 (0;000) ✗ 02/02/17
Ga3PO7 ICSD 162060 P1 (1) ✗ 11 86 3 3.5259 3.528 0.000 (0;000) ✗ 06/10/16
CsTa(PO4)2 ICSD 20726 P-1 (2) ✔ 12 80 2 3.5265 3.612 0.000 (0;000) ✗ 02/02/17
CaZrGeO5 ICSD 154327 P-1 (2) ✔ 16 96 3 3.5272 3.527 0.000 (0;000) ✗ 02/02/17
LiH2N COD 4124005 I-4 (82) ✗ 16 40 1 3.5285 3.667 0.000 (0;000) ✗ 15/02/17
Li2TeO3 ICSD 4317 C2/c (15) ✔ 24 120 1 3.5317 3.761 0.000 (0;000) ✗ 04/08/17
Sr2YTaO6 ICSD 247458 Fm-3m (225) ✔ 10 80 3 3.5326 3.533 0.000 (0;000) ✗ 27/01/17
CsNaTiO3 ICSD 78752 Cmcm (63) ✔ 12 96 3 3.5344 3.588 0.000 (0;000) ✗ 27/01/17
LiNbO3 ICSD 415526 R3c (161) ✗ 10 68 3 3.5351 3.564 0.000 (0;000) ✗ 06/10/16
LiNbO3 ICSD 94492 R3c (161) ✗ 10 68 3 3.5371 3.599 0.000 (0;000) ✗ 06/10/16
LiC COD 1521871 Immm (71) ✔ 4 14 1 3.5408 3.819 0.000 (0;000) ✗ 27/01/17
SNF COD 2310697 P-42_1c (114) ✗ 24 144 1 3.5409 3.846 0.000 (0;000) ✗ 04/08/17
ZnCN2 COD 2011885 I-42d (122) ✗ 16 104 3 3.5423 3.901 0.000 (0;000) ✗ 22/03/17
BH4C3O2 COD 2204051 P-1 (2) ✔ 20 62 1 3.5427 3.639 0.000 (0;000) ✗ 27/01/17
KBrF4 COD 1524295 I4/mcm (140) ✔ 12 88 1 3.5441 3.575 0.000 (0;000) ✗ 02/02/17
CsNb(BO3)2 COD 2003948 Pmn2_1 (31) ✗ 20 128 3 3.5447 3.717 0.000 (0;000) ✗ 21/03/17
Rb2Li2GeO4 ICSD 61087 P-1 (2) ✔ 18 104 3 3.548 3.632 0.000 (0;000) ✗ 02/02/17
P4SeO7 ICSD 405209 P-1 (2) ✔ 24 136 1 3.5481 3.651 0.000 (0;000) ✗ 04/08/17
Cs4PbCl6 ICSD 41382 R-3c (167) ✔ 22 184 1 3.5486 3.549 0.000 (0;000) ✗ 07/08/17
Rb3CO3F ICSD 66029 R-3c (167) ✔ 16 112 1 3.5487 3.549 0.000 (0;000) ✗ 02/02/17
Bi(BO2)3 ICSD 173745 C2 (5) ✗ 10 50 3 3.5492 3.755 0.000 (0;000) ✗ 06/10/16
Li2CO3 COD 1531432 P6_3/mcm (193) ✔ 12 56 1 3.5493 4.009 0.000 (0;000) ✗ 27/01/17
LiNbO3 ICSD 35014 R3c (161) ✗ 10 68 3 3.5503 3.611 0.000 (0;000) ✗ 06/10/16
As3(HO2)5 COD 2310419 P-1 (2) ✔ 18 80 3 3.5509 3.609 0.000 (0;000) ✗ 05/01/17
LiNbO3 ICSD 61118 R3c (161) ✗ 10 68 3 3.5511 3.607 0.000 (0;000) ✗ 06/10/16
ReO2F3 ICSD 415421 P2_1/c (14) ✔ 24 192 1 3.5528 3.553 0.000 (0;000) ✗ 04/08/17
LiTa3O8 COD 9012127 C2/c (15) ✔ 24 180 3 3.5605 3.610 0.000 (0;000) ✗ 04/08/17
RbTa(PO4)2 ICSD 54098 C2/m (12) ✔ 12 80 2 3.5625 3.682 0.000 (0;000) ✗ 27/01/17
Rb2Al2Sb2O7 ICSD 154360 P-3m1 (164) ✔ 13 76 1 3.5646 3.690 0.000 (0;000) ✗ 30/01/17
CaC2(SN)2 ICSD 412783 C2/c (15) ✔ 14 80 1 3.566 3.648 0.000 (0;000) ✗ 02/02/17
Ga2Te4O11 COD 1525950 P1 (1) ✗ 17 116 3 3.5667 3.696 0.000 (0;000) ✗ 22/03/17
KNO3 ICSD 85491 Pnma (62) ✔ 20 128 1 3.5677 3.595 0.000 (0;000) ✗ 02/02/17
ZnCdC4(SN)4 COD 2008877 I-4 (82) ✗ 14 84 3 3.5689 3.620 0.000 (0;000) ✗ 21/03/17
Sn(SeO3)2 ICSD 154717 P2_1/c (14) ✔ 18 124 3 3.5691 3.902 0.000 (0;000) ✗ 02/02/17
BN ICSD 186248 P6_3/mmc (194) ✔ 4 16 2 3.5701 3.601 0.000 (0;000) ✗ 27/01/17
LiNbO3 ICSD 109458 R3c (161) ✗ 10 68 3 3.5701 3.633 0.000 (0;000) ✗ 06/10/16
RbC ICSD 51532 Pnma (62) ✔ 16 104 1 3.5711 3.623 0.000 (0;000) ✗ 02/02/17
NbGaO4 ICSD 18187 C2 (5) ✗ 12 100 3 3.5733 3.781 0.000 (0;000) ✗ 06/10/16
SnCl4 ICSD 411242 P2_1/c (14) ✔ 20 168 1 3.5749 3.575 0.000 (0;000) ✗ 02/02/17
SbCl3 ICSD 8258 Pnma (62) ✔ 16 104 1 3.5764 3.619 0.000 (0;000) ✗ 02/02/17
Al3BN4 ICSD 187051 P-43m (215) ✗ 8 32 3 3.5768 3.577 0.000 (0;000) ✗ 06/10/16
BBr3 COD 1511460 P6_3/m (176) ✔ 8 48 1 3.5808 3.886 0.000 (0;000) ✗ 02/02/17
K2TiO3 ICSD 162216 Cmcm (63) ✔ 12 96 1 3.5812 3.581 0.000 (0;000) ✗ 27/01/17
Zn(HO)2 COD 9015545 P2_12_12_1 (19) ✗ 20 104 3 3.5812 3.581 0.000 (0;000) ✗ 28/03/17
BBr3 ICSD 173374 P2_1/m (11) ✔ 8 48 1 3.5823 3.889 0.000 (0;000) ✗ 06/10/16
Na2CdCl4 ICSD 69344 Pbam (55) ✔ 14 116 1 3.5843 3.600 0.000 (0;000) ✗ 02/02/17
Pb7(BrF6)2 COD 1519065 P-6 (174) ✗ 21 196 3 3.5865 3.621 0.000 (0;000) ✗ 04/08/17
KSb(PO4)2 ICSD 61788 R-3 (148) ✔ 12 72 2 3.588 3.747 0.000 (0;000) ✗ 27/01/17
NaC COD 1521140 I4_1/acd (142) ✔ 16 104 1 3.5905 3.703 0.000 (0;000) ✗ 02/02/17
RbI COD 9009738 Fm-3m (225) ✔ 2 16 1 3.5916 3.592 0.000 (0;000) ✗ 30/01/17
NbAlO4 ICSD 24078 C2/m (12) ✔ 12 80 3 3.5921 3.832 0.000 (0;000) ✗ 05/01/17
GaHO2 COD 8100298 Pnma (62) ✔ 16 104 3 3.5929 3.638 0.000 (0;000) ✗ 27/01/17
N2O COD 1010059 Pa3 (205) ✔ 12 64 1 3.5955 3.773 0.000 (0;000) ✗ 27/01/17
CsNa2BO3 ICSD 67524 Pmmn (59) ✔ 14 96 1 3.5967 3.648 0.000 (0;000) ✗ 02/02/17
CdSO3 ICSD 62640 P2_1/c (14) ✔ 20 144 3 3.5968 3.893 0.000 (0;000) ✗ 02/02/17
NaH2(SO2)2 ICSD 40833 C2 (5) ✗ 18 94 1 3.5971 3.598 0.000 (0;000) ✗ 28/03/17
SeO2 COD 9008417 P4_2/mbc (135) ✔ 24 144 2 3.5975 3.921 0.000 (0;000) ✗ 04/08/17
SnB4O7 COD 4001283 Pmn2_1 (31) ✗ 24 136 3 3.5975 4.248 0.000 (0;000) ✗ 04/08/17
LiHS COD 1532751 P4_2/mbc (135) ✔ 24 80 1 3.5998 3.600 0.000 (0;000) ✗ 04/08/17
CaSiSnO5 COD 9006655 C2/c (15) ✔ 16 116 3 3.6012 3.668 0.000 (0;000) ✗ 27/01/17
KTa(BO3)2 ICSD 162214 Pmn2_1 (31) ✗ 20 128 3 3.6016 3.946 0.000 (0;000) ✗ 21/03/17
MgH2 ICSD 155808 Pbcn (60) ✔ 12 48 1 3.6029 3.778 0.000 (0;000) ✗ 27/01/17
NaH4IO2 COD 7202888 P-1 (2) ✔ 16 64 1 3.603 3.603 0.000 (0;000) ✗ 02/02/17
LiIO3 ICSD 14344 P6_3 (173) ✗ 10 56 1 3.6031 3.690 0.000 (0;000) ✗ 06/10/16
CsSb(PO4)2 ICSD 202813 P-3 (147) ✔ 12 72 2 3.6081 3.731 0.000 (0;000) ✗ 27/01/17
NaGaBr4 ICSD 69650 Pnma (62) ✔ 24 200 1 3.6083 3.608 0.000 (0;000) ✗ 04/08/17
Ga3PO7 ICSD 59364 R3m (160) ✗ 11 86 3 3.6094 3.626 0.000 (0;000) ✗ 06/10/16
H3N ICSD 29321 P2_13 (198) ✗ 16 32 1 3.6115 3.612 0.000 (0;000) ✗ 15/02/17
Cs2Al2Sb2O7 ICSD 154361 P-3m1 (164) ✔ 13 76 2 3.6116 3.668 0.000 (0;000) ✗ 30/01/17
CaCO3 ICSD 186772 P-1 (2) ✔ 20 128 1 3.6119 3.614 0.000 (0;000) ✗ 02/02/17
Cs2ZrCl6 COD 1010224 Fm-3m (225) ✔ 9 64 1 3.6126 3.650 0.000 (0;000) ✗ 02/02/17
AgC4N3 COD 7115405 Ima2 (46) ✗ 16 84 3 3.6159 3.621 0.000 (0;000) ✗ 21/03/17
LiIO3 ICSD 80025 P6_3 (173) ✗ 10 56 1 3.6161 3.692 0.000 (0;000) ✗ 06/10/16
Li3AlH6 COD 1532615 R-3 (148) ✔ 20 36 2 3.6166 3.945 0.000 (0;000) ✗ 05/01/17
HCBr3 COD 1504397 P6_3 (173) ✗ 10 52 1 3.6186 3.620 0.000 (0;000) ✗ 22/03/17
Sc2Si2O7 COD 1527983 Fd-3m (227) ✔ 22 144 3 3.6197 3.645 0.000 (0;000) ✗ 04/08/17
Bi(BO2)3 ICSD 245896 C2 (5) ✗ 10 50 3 3.6229 4.001 0.000 (0;000) ✗ 06/10/16
Rb2MoO4 ICSD 24904 C2/m (12) ✔ 14 112 1 3.6232 3.714 0.000 (0;000) ✗ 02/02/17
Bi(BO2)3 ICSD 245889 C2 (5) ✗ 10 50 3 3.625 4.005 0.000 (0;000) ✗ 06/10/16
Li2TiGeO5 ICSD 250297 P4/nmm (129) ✔ 18 104 2 3.6252 3.899 0.000 (0;000) ✗ 04/08/17
YNbO4 COD 9011436 C2/c (15) ✔ 12 96 3 3.6266 3.747 0.000 (0;000) ✗ 27/01/17
Sn3F8 ICSD 61162 P2_1/c (14) ✔ 22 196 3 3.6323 3.667 0.000 (0;000) ✗ 04/08/17
Bi(BO2)3 ICSD 245893 C2 (5) ✗ 10 50 3 3.6325 4.010 0.000 (0;000) ✗ 06/10/16
BaIF COD 9011175 P4/nmm (129) ✔ 6 48 1 3.635 3.635 0.000 (0;000) ✗ 30/01/17
Bi(BO2)3 ICSD 245890 C2 (5) ✗ 10 50 3 3.6363 4.007 0.000 (0;000) ✗ 06/10/16
ZnSiO3 COD 2106565 C2/c (15) ✔ 20 136 3 3.6364 3.782 0.000 (0;000) ✗ 02/02/17
MgCN2 ICSD 75039 R-3m (166) ✔ 4 24 3 3.6366 4.688 0.000 (0;000) ✗ 27/01/17
Bi(BO2)3 ICSD 245894 C2 (5) ✗ 10 50 3 3.6372 4.021 0.000 (0;000) ✗ 06/10/16
CaHBr COD 9009166 P4/nmm (129) ✔ 6 36 1 3.6383 4.028 0.000 (0;000) ✗ 27/01/17
Bi(BO2)3 ICSD 48025 C2 (5) ✗ 10 50 3 3.639 4.023 0.000 (0;000) ✗ 06/10/16
Na4CO4 ICSD 245414 Cm (8) ✗ 9 64 2 3.6393 3.918 0.000 (0;000) ✗ 06/10/16
SiF4 COD 1010134 Pn-3m (224) ✔ 10 64 3 3.6397 3.760 0.000 (0;000) ✗ 27/01/17
SrN6 ICSD 35226 Fddd (70) ✔ 14 80 1 3.6409 3.751 0.000 (0;000) ✗ 02/02/17
Bi(BO2)3 ICSD 245895 C2 (5) ✗ 10 50 3 3.6421 4.024 0.000 (0;000) ✗ 06/10/16
RbYO2 ICSD 49651 R-3m (166) ✔ 4 32 3 3.6441 3.794 0.000 (0;000) ✗ 27/01/17
Bi(BO2)3 ICSD 245897 C2 (5) ✗ 10 50 3 3.6445 4.025 0.000 (0;000) ✗ 06/10/16
K3TaF8 COD 2017527 P6_3mc (186) ✗ 24 192 1 3.6455 3.650 0.000 (0;000) ✗ 04/08/17
MgO ICSD 161842 P6_3mc (186) ✗ 4 32 3 3.6457 3.646 0.000 (0;000) ✗ 06/10/16
Bi(BO2)3 ICSD 245892 C2 (5) ✗ 10 50 3 3.6481 4.036 0.000 (0;000) ✗ 06/10/16
Ta2O5 COD 2102123 C2/c (15) ✔ 14 112 3 3.6486 3.867 0.000 (0;000) ✗ 27/01/17
NaTeH6O6F ICSD 42 R3 (146) ✗ 15 64 1 3.6488 3.725 0.000 (0;000) ✗ 15/02/17
CaO COD 9006708 Fm-3m (225) ✔ 2 16 1 3.649 4.030 0.000 (0;000) ✗ 27/01/17
PbSO4 COD 9004484 Pnma (62) ✔ 24 176 3 3.6491 3.860 0.000 (0;000) ✗ 04/08/17
MgMoO4 COD 2300504 C2/m (12) ✔ 24 192 3 3.651 3.723 0.000 (0;000) ✗ 04/08/17
Rb2HBrO ICSD 78735 P2_1/m (11) ✔ 10 64 1 3.6511 3.671 0.000 (0;000) ✗ 02/02/17
LiCO2 ICSD 173993 P2_1/c (14) ✔ 16 76 1 3.6516 3.677 0.000 (0;000) ✗ 27/01/17
BaH4(IO)2 ICSD 407360 C2/c (15) ✔ 18 80 1 3.6524 3.669 0.000 (0;000) ✗ 02/02/17
Ba4I6O COD 2200255 P6_3mc (186) ✗ 22 176 1 3.6527 3.754 0.000 (0;000) ✗ 07/08/17
SbRhSe ICSD 650254 P2_13 (198) ✗ 12 112 3 3.6539 1.142 1.000 (0;000) ✗ 06/10/16
H4C3O2 COD 2003673 P1 (1) ✗ 18 56 1 3.6547 3.754 0.000 (0;000) ✗ 15/02/17
BaSnF4 ICSD 166207 P4/nmm (129) ✔ 12 104 1 3.6554 3.729 0.000 (0;000) ✗ 02/02/17
KI COD 9009735 Fm-3m (225) ✔ 2 16 1 3.6596 3.660 0.000 (0;000) ✗ 30/01/17
AlTlBr4 ICSD 419829 P2/c (13) ✔ 24 176 1 3.6609 3.678 0.000 (0;000) ✗ 04/08/17
Ca7(H6Cl)2 ICSD 420927 P-6 (174) ✗ 21 96 1 3.6609 3.728 0.000 (0;000) ✗ 04/08/17
Sr2CaTeO6 ICSD 414435 P2_1/c (14) ✔ 20 144 1 3.6612 3.716 0.000 (0;000) ✗ 02/02/17
MgCN2 ICSD 44110 I-42d (122) ✗ 8 48 3 3.6613 3.869 0.000 (0;000) ✗ 07/10/16
ReClO3 ICSD 416751 P2_1/c (14) ✔ 20 160 1 3.6638 3.734 0.000 (0;000) ✗ 02/02/17
Cs2Al2As2O7 ICSD 154363 Imm2 (44) ✗ 13 76 3 3.6661 3.726 0.000 (0;000) ✗ 16/03/17
LiIO3 ICSD 40358 P6_3 (173) ✗ 10 56 0 3.6715 3.741 0.000 (0;000) ✗ 06/10/16
SnF2 ICSD 14195 P4_12_12 (92) ✗ 12 112 3 3.6722 3.814 0.000 (0;000) ✗ 22/03/17
NaC4N3 ICSD 31926 P-1 (2) ✔ 16 80 1 3.6724 3.698 0.000 (0;000) ✗ 02/02/17
K3YV2O8 ICSD 248843 P-3m1 (164) ✔ 14 112 3 3.6731 3.772 0.000 (0;000) ✗ 02/02/17
SrI2 COD 9008163 Pbca (61) ✔ 24 192 1 3.674 3.674 0.000 (0;000) ✗ 04/08/17
Li3TeHO4 ICSD 38036 P2_1/m (11) ✔ 18 80 1 3.6746 3.978 0.000 (0;000) ✗ 02/02/17
K2ZnBr4 COD 2001701 P2_1/m (11) ✔ 14 116 1 3.6748 3.675 0.000 (0;000) ✗ 02/02/17
Li2ZrO3 ICSD 31941 Cc (9) ✗ 12 56 3 3.6749 3.930 0.000 (0;000) ✗ 06/10/16
KCdCl3 ICSD 33281 Pnma (62) ✔ 20 168 2 3.676 3.816 0.000 (0;000) ✗ 02/02/17
Li8SnO6 COD 1528146 R-3 (148) ✔ 15 74 1 3.6772 3.690 0.000 (0;000) ✗ 27/01/17
Na2ZnH4(SeO5)2 ICSD 98685 P-1 (2) ✔ 19 106 2 3.678 3.780 0.000 (0;000) ✗ 02/02/17
Ba3V2O8 COD 4305862 R-3m (166) ✔ 13 104 1 3.6786 3.872 0.000 (0;000) ✗ 02/02/17
Mg2H2O3 COD 1531167 P-3m1 (164) ✔ 7 40 2 3.6787 3.679 0.000 (0;000) ✗ 27/01/17
RbNbO3 COD 1528862 P-1 (2) ✔ 20 160 1 3.6791 3.683 0.000 (0;000) ✗ 02/02/17
ScTl(MoO4)2 ICSD 250340 P-3m1 (164) ✔ 12 100 2 3.6796 3.711 0.000 (0;000) ✗ 02/02/17
Zn2P2O7 ICSD 24153 C2/m (12) ✔ 11 76 3 3.6804 4.229 0.000 (0;000) ✗ 27/01/17
Fe(CO)5 COD 2310564 C2/c (15) ✔ 22 116 2 3.6826 3.720 0.000 (0;000) ✗ 04/08/17
K2S2O5 COD 2310629 P2_1/m (11) ✔ 18 120 1 3.6861 3.745 0.000 (0;000) ✗ 02/02/17
NaNbO3 ICSD 28152 R3c (161) ✗ 10 80 3 3.6866 3.714 0.000 (0;000) ✗ 06/10/16
H6C3O COD 7110463 Cmcm (63) ✔ 20 48 1 3.687 3.820 0.000 (0;000) ✗ 27/01/17
BiF3 COD 1527437 Pnma (62) ✔ 16 144 3 3.6893 3.690 0.000 (0;000) ✗ 02/02/17
CaZnSiH2O5 ICSD 200432 Cc (9) ✗ 20 116 2 3.6898 3.739 0.000 (0;000) ✗ 21/03/17
KNa3WO5 ICSD 40249 C2/m (12) ✔ 20 188 1 3.6902 3.723 0.000 (0;000) ✗ 11/04/17
Rb2CO3 COD 1527330 P2_1/c (14) ✔ 24 160 1 3.6921 3.692 0.000 (0;000) ✗ 04/08/17
RbGeCl3 COD 7221358 P2_1/m (11) ✔ 10 68 1 3.6922 3.704 0.000 (0;000) ✗ 02/02/17
RbTaO3 COD 1528059 C2/m (12) ✔ 20 160 2 3.6926 3.756 0.000 (0;000) ✗ 02/02/17
Li6ZnO4 ICSD 62137 P4_2/nmc (137) ✔ 22 108 3 3.6926 3.693 0.000 (0;000) ✗ 04/08/17
NaC ICSD 95835 Immm (71) ✔ 4 26 1 3.6931 3.727 0.000 (0;000) ✗ 27/01/17
KI ICSD 61661 Pm-3m (221) ✔ 2 16 1 3.6931 3.693 0.000 (0;000) ✗ 30/01/17
KI ICSD 61661 Pm-3m (221) ✔ 2 16 1 3.6931 3.693 0.000 (0;000) ✗ 30/01/17
LiIO3 ICSD 40360 P6_3 (173) ✗ 10 56 0 3.695 3.770 0.000 (0;000) ✗ 29/11/16
LiIO3 ICSD 40364 P6_3 (173) ✗ 10 56 0 3.7008 3.766 0.000 (0;000) ✗ 29/11/16
LiIO3 ICSD 40365 P6_3 (173) ✗ 10 56 0 3.7008 3.766 0.000 (0;000) ✗ 29/11/16
RbNaTiO3 ICSD 78753 C2/c (15) ✔ 12 96 1 3.7013 3.738 0.000 (0;000) ✗ 27/01/17
HgC2(NO)2 ICSD 245329 Cmce (64) ✔ 14 84 2 3.7029 3.807 0.000 (0;000) ✗ 02/02/17
Cs2Li3I5 ICSD 35655 C2/m (12) ✔ 10 62 1 3.703 3.703 0.000 (0;000) ✗ 02/02/17
Cd(BH4)2 ICSD 262600 P4_2nm (102) ✗ 22 52 3 3.7041 3.716 0.000 (0;000) ✗ 04/08/17
Mg3H4O5 COD 1531171 P-3m1 (164) ✔ 12 64 2 3.7053 3.705 0.000 (0;000) ✗ 27/01/17
LiIO3 ICSD 46026 P6_3 (173) ✗ 10 56 0 3.706 3.793 0.000 (0;000) ✗ 06/10/16
P3N5 ICSD 56876 C2/c (15) ✔ 16 80 3 3.7067 4.005 0.000 (0;000) ✗ 27/01/17
Pb(ClO3)2 ICSD 40286 Fdd2 (43) ✗ 18 128 3 3.7072 3.713 0.000 (0;000) ✗ 22/03/17
SnWO4 ICSD 2840 P2_13 (198) ✗ 24 264 3 3.7074 3.710 0.000 (0;000) ✗ 04/08/17
Mg2PN3 ICSD 50224 Cmc2_1 (36) ✗ 12 80 3 3.7075 4.301 0.000 (0;000) ✗ 06/10/16
K2ZrO3 COD 1527399 Pnma (62) ✔ 24 160 1 3.7077 3.708 0.000 (0;000) ✗ 04/08/17
Ba2NbInO6 ICSD 99698 Fm-3m (225) ✔ 10 82 3 3.7079 3.781 0.000 (0;000) ✗ 05/01/17
BiF3 ICSD 1269 Pbnm (62) ✔ 16 104 3 3.7081 3.709 0.000 (0;000) ✗ 06/10/16
TiTl2F6 ICSD 410802 P-3m1 (164) ✔ 9 80 1 3.709 3.779 0.000 (0;000) ✗ 27/01/17
RbClO4 COD 5910290 Pnma (62) ✔ 24 160 1 3.7097 3.729 0.000 (0;000) ✗ 04/08/17
SrCN2 ICSD 75040 Pnma (62) ✔ 16 96 1 3.7125 4.317 0.000 (0;000) ✗ 02/02/17
Sr7(H6Br)2 ICSD 418949 P-6 (174) ✗ 21 96 1 3.7126 3.878 0.000 (0;000) ✗ 04/08/17
NaBO2 COD 9015516 R-3c (167) ✔ 24 144 1 3.7128 3.713 0.000 (0;000) ✗ 04/08/17
PC2N3Cl4 ICSD 81344 Cmcm (63) ✔ 20 112 1 3.7138 3.728 0.000 (0;000) ✗ 02/02/17
Mg3TeO6 ICSD 6309 R-3 (148) ✔ 20 144 3 3.7139 3.936 0.000 (0;000) ✗ 02/02/17
TlBrO4 ICSD 65659 Pnma (62) ✔ 24 176 1 3.7139 3.827 0.000 (0;000) ✗ 04/08/17
NaH COD 9008680 Fm-3m (225) ✔ 2 10 1 3.7143 4.558 0.000 (0;000) ✗ 27/01/17
KNaTiO3 ICSD 47177 C2/c (15) ✔ 12 96 1 3.7164 3.740 0.000 (0;000) ✗ 27/01/17
Cs2ZrO3 ICSD 67345 Cmcm (63) ✔ 12 80 2 3.7167 3.717 0.000 (0;000) ✗ 02/02/17
CNCl ICSD 86484 C2/c (15) ✔ 18 96 1 3.7201 3.910 0.000 (0;000) ✗ 02/02/17
BaCO3 ICSD 158389 R3m (160) ✗ 5 32 1 3.7206 3.786 0.000 (0;000) ✗ 06/10/16
BaCO3 ICSD 158390 R3m (160) ✗ 5 32 1 3.7237 3.789 0.000 (0;000) ✗ 06/10/16
Cd(C2N3)2 ICSD 413334 Pnnm (58) ✔ 22 116 3 3.7244 3.887 0.000 (0;000) ✗ 04/08/17
Mg5H8O9 COD 1531175 P-3m1 (164) ✔ 22 112 1 3.7257 3.726 0.000 (0;000) ✗ 04/08/17
GeO2 ICSD 16577 P3_221 (154) ✗ 9 48 3 3.7257 3.809 0.000 (0;000) ✗ 06/10/16
KScO2 ICSD 34958 R-3m (166) ✔ 4 32 2 3.7269 4.188 0.000 (0;000) ✗ 27/01/17
ZnCO3 COD 9000099 R-3c (167) ✔ 10 68 3 3.7274 4.675 0.000 (0;000) ✗ 27/01/17
CsSnF3 ICSD 236903 P2_1/c (14) ✔ 20 176 1 3.7279 3.733 0.000 (0;000) ✗ 02/02/17
NaIO3 COD 1530853 Pnma (62) ✔ 20 136 1 3.7298 3.969 0.000 (0;000) ✗ 02/02/17
LiIO3 ICSD 40361 P6_3 (173) ✗ 10 56 0 3.7323 3.808 0.000 (0;000) ✗ 29/11/16
MgH2 ICSD 168831 P4_2/mnm (136) ✔ 6 24 1 3.7327 4.585 0.000 (0;000) ✗ 27/01/17
Na2Ca3Ta2O9 COD 2009231 R32 (155) ✗ 16 128 1 3.7327 3.759 0.000 (0;000) ✗ 21/03/17
Na2SeO4 COD 2106359 Fddd (70) ✔ 14 96 1 3.7333 3.772 0.000 (0;000) ✗ 27/01/17
LiCSN ICSD 425061 Pnma (62) ✔ 16 72 1 3.7343 4.049 0.000 (0;000) ✗ 02/02/17
Na3SO4F COD 9000296 R3m (160) ✗ 9 64 3 3.735 3.735 0.000 (0;000) ✗ 15/02/17
LiIO3 ICSD 46025 P6_3 (173) ✗ 10 56 0 3.7353 3.809 0.000 (0;000) ✗ 06/10/16
CsCo(CO)4 ICSD 31359 I-4 (82) ✗ 10 66 2 3.736 3.877 0.000 (0;000) ✗ 15/02/17
Y2O3 ICSD 192864 P-3m1 (164) ✔ 5 40 3 3.7363 4.341 0.000 (0;000) ✗ 27/01/17
Mg2SiO4 COD 9000275 I4/mmm (139) ✔ 7 48 3 3.7368 4.199 0.000 (0;000) ✗ 27/01/17
Cs3ZnBr5 ICSD 180053 I4/mcm (140) ✔ 18 148 1 3.737 3.737 0.000 (0;000) ✗ 02/02/17
RbSbBrF3 ICSD 200109 P-1 (2) ✔ 12 84 1 3.7376 3.872 0.000 (0;000) ✗ 02/02/17
K2HBrO ICSD 78734 P2_1/m (11) ✔ 10 64 1 3.7379 3.738 0.000 (0;000) ✗ 02/02/17
K2TeO3 ICSD 65640 P-3 (147) ✔ 12 84 1 3.7404 3.933 0.000 (0;000) ✗ 02/02/17
KAl(MoO4)2 ICSD 28018 P-3m1 (164) ✔ 12 88 2 3.7424 3.742 0.000 (0;000) ✗ 05/01/17
Li2CN2 COD 4031435 I4/mmm (139) ✔ 5 20 1 3.7439 3.744 0.000 (0;000) ✗ 27/01/17
SCl2O ICSD 62971 P2_1/c (14) ✔ 16 104 1 3.7451 3.758 0.000 (0;000) ✗ 02/02/17
BaZr(PO4)2 ICSD 173842 P-3m1 (164) ✔ 12 72 2 3.7473 3.815 0.000 (0;000) ✗ 05/01/17
GeO2 ICSD 200730 P3_121 (152) ✗ 9 48 3 3.7477 3.872 0.000 (0;000) ✗ 06/10/16
AlBN2 ICSD 187052 P-4m2 (115) ✗ 4 16 3 3.7482 3.773 0.000 (0;000) ✗ 06/10/16
MgTiO3 COD 9010587 R-3 (148) ✔ 10 80 3 3.7492 3.814 0.000 (0;000) ✗ 04/08/17
LiAsO3 COD 2310602 C2/c (15) ✔ 20 104 1 3.7525 3.801 0.000 (0;000) ✗ 30/01/17
NaMgBO3 COD 4307923 C2/c (15) ✔ 12 80 3 3.7545 3.755 0.000 (0;000) ✗ 27/01/17
PHF2 ICSD 406360 P2_12_12_1 (19) ✗ 16 80 1 3.7561 3.781 0.000 (0;000) ✗ 22/03/17
SeO2 ICSD 99465 Pmc2_1 (26) ✗ 24 144 1 3.7562 3.959 0.000 (0;000) ✗ 04/08/17
RbCdCl3 COD 1530478 Pnma (62) ✔ 20 168 1 3.7589 3.876 0.000 (0;000) ✗ 02/02/17
CsI COD 9008790 Pm-3m (221) ✔ 2 16 1 3.7608 3.761 0.000 (0;000) ✗ 22/03/17
SrMoO4 COD 4001306 I4_1/a (88) ✔ 12 96 1 3.7616 3.762 0.000 (0;000) ✗ 27/01/17
K4V2O7 ICSD 250388 C2/m (12) ✔ 13 104 1 3.7624 3.802 0.000 (0;000) ✗ 02/02/17
ZnPt(CN)4 ICSD 169758 P4_2/mcm (132) ✔ 20 116 3 3.7624 3.764 0.000 (0;000) ✗ 02/02/17
P2O3 ICSD 62026 P2_1/m (11) ✔ 20 112 1 3.7642 3.787 0.000 (0;000) ✗ 02/02/17
RbAlO2 ICSD 28373 Fd-3m (227) ✔ 8 48 3 3.7643 3.769 0.000 (0;000) ✗ 05/01/17
ZnSiO3 COD 9006919 C2/c (15) ✔ 20 136 3 3.765 3.845 0.000 (0;000) ✗ 02/02/17
LiBC2(O2F)2 ICSD 185384 Cmcm (63) ✔ 20 104 1 3.7651 3.918 0.000 (0;000) ✗ 02/02/17
LiNbO3 COD 9016248 R-3 (148) ✔ 10 68 1 3.7653 3.863 0.000 (0;000) ✗ 27/01/17
Sr2ScSbO6 ICSD 262994 P2_1/c (14) ✔ 20 144 3 3.7678 3.771 0.000 (0;000) ✗ 02/02/17
AlTl2F5 COD 1010159 Cmcm (63) ✔ 16 128 1 3.7681 3.802 0.000 (0;000) ✗ 30/01/17
NaScO2 ICSD 25729 R-3m (166) ✔ 4 32 2 3.7686 4.439 0.000 (0;000) ✗ 27/01/17
Si5(H2Cl)4 COD 4329335 I-4 (82) ✗ 17 56 2 3.7699 3.770 0.000 (0;000) ✗ 22/03/17
Ba(IO3)2 ICSD 23276 C2/c (15) ✔ 18 120 1 3.775 3.843 0.000 (0;000) ✗ 02/02/17
SnSO4 COD 9008091 Pnma (62) ✔ 24 176 3 3.7757 4.002 0.000 (0;000) ✗ 04/08/17
IOF3 ICSD 4076 P2_12_12_1 (19) ✗ 20 136 1 3.7853 3.792 0.000 (0;000) ✗ 22/03/17
GaB3N4 ICSD 187050 P-43m (215) ✗ 8 42 3 3.7874 3.787 0.000 (0;000) ✗ 06/10/16
CaMg(SiO3)2 COD 9000506 C2/c (15) ✔ 20 128 3 3.7875 3.788 0.000 (0;000) ✗ 02/02/17
B4PbO7 ICSD 185673 Pmn2_1 (31) ✗ 24 136 3 3.7884 4.333 0.000 (0;000) ✗ 04/08/17
GaCl2 ICSD 62664 Pnna (52) ✔ 24 216 1 3.7899 3.803 0.000 (0;000) ✗ 04/08/17
BaZnBO3F ICSD 248042 P-6 (174) ✗ 7 50 3 3.7899 4.365 0.000 (0;000) ✗ 15/02/17
Mg3NF3 COD 1528307 Pm-3m (221) ✔ 7 56 3 3.7906 3.791 0.000 (0;000) ✗ 27/01/17
K3VO4 ICSD 4138 I-42m (121) ✗ 8 64 3 3.7908 3.933 0.000 (0;000) ✗ 07/10/16
LiNbO3 ICSD 247734 R3c (161) ✗ 10 68 3 3.7912 3.902 0.000 (0;000) ✗ 06/10/16
Ca3TeO6 ICSD 16362 P2_1/c (14) ✔ 20 144 1 3.7915 4.049 0.000 (0;000) ✗ 02/02/17
LiTaO3 ICSD 108874 R3c (161) ✗ 10 68 3 3.7915 3.820 0.000 (0;000) ✗ 06/10/16
HC3F2 COD 4116823 P2_1/c (14) ✔ 24 108 2 3.7951 4.119 0.000 (0;000) ✗ 04/08/17
LiN3 ICSD 34675 C2/m (12) ✔ 4 18 1 3.7952 4.288 0.000 (0;000) ✗ 27/01/17
CIF3 ICSD 73268 Cmce (64) ✔ 20 128 1 3.7955 3.808 0.000 (0;000) ✗ 02/02/17
SrAl4O7 COD 9007445 C2/c (15) ✔ 24 128 3 3.7973 3.797 0.000 (0;000) ✗ 04/08/17
Pb7(ClF6)2 COD 1523195 P-6 (174) ✗ 21 196 3 3.7981 3.847 0.000 (0;000) ✗ 04/08/17
Li2W2O7 COD 2106564 P-1 (2) ✔ 22 208 1 3.7985 3.863 0.000 (0;000) ✗ 07/08/17
LiIO3 ICSD 40362 P6_3 (173) ✗ 10 56 0 3.7988 3.879 0.000 (0;000) ✗ 29/11/16
LiTaO3 ICSD 84579 R3c (161) ✗ 10 68 3 3.7989 3.825 0.000 (0;000) ✗ 06/10/16
Cs2CdFe(CN)6 ICSD 151696 Fm-3m (225) ✔ 16 92 3 3.799 3.888 0.000 (0;000) ✗ 02/02/17
InPH2O5 COD 9012528 P-1 (2) ✔ 18 100 3 3.7997 3.887 0.000 (0;000) ✗ 27/01/17
Ca2Al2O5 COD 9002389 Ima2 (46) ✗ 18 112 3 3.8003 3.800 0.000 (0;000) ✗ 16/03/17
LiTaO3 ICSD 164259 R3c (161) ✗ 10 68 3 3.8017 3.828 0.000 (0;000) ✗ 06/10/16
H2O COD 1011063 C222_1 (20) ✗ 12 32 3 3.802 4.116 0.000 (0;000) ✗ 15/02/17
LiIO3 ICSD 46027 P6_3 (173) ✗ 10 56 0 3.8029 3.878 0.000 (0;000) ✗ 06/10/16
Sr2YSbO6 ICSD 157886 Fm-3m (225) ✔ 10 72 3 3.803 3.803 0.000 (0;000) ✗ 27/01/17
LiH3O2 COD 2106174 C2/m (12) ✔ 12 36 1 3.8048 3.883 0.000 (0;000) ✗ 27/01/17
NaReO4 ICSD 52337 I4_1/a (88) ✔ 12 96 1 3.8048 3.880 0.000 (0;000) ✗ 27/01/17
GeO2 COD 1525835 Pa3 (205) ✔ 12 64 3 3.8052 3.805 0.000 (0;000) ✗ 27/01/17
Sr(AlS2)2 ICSD 609259 Cccm (66) ✔ 14 80 1 3.807 3.844 0.000 (0;000) ✗ 30/01/17
ZnCl2 ICSD 26152 P4_2/nmc (137) ✔ 6 52 2 3.8088 3.809 0.000 (0;000) ✗ 27/01/17
InH4NCl4 ICSD 419830 I4_1/a (88) ✔ 20 100 1 3.811 3.811 0.000 (0;000) ✗ 02/02/17
Sn3PO4F3 ICSD 37133 R3 (146) ✗ 11 92 3 3.8127 3.853 0.000 (0;000) ✗ 15/02/17
LiIO3 ICSD 9508 P6_3 (173) ✗ 10 56 1 3.8139 3.877 0.000 (0;000) ✗ 06/10/16
ZnH8(N2Cl)2 ICSD 15875 C2/m (12) ✔ 15 54 2 3.8143 4.554 0.000 (0;000) ✗ 27/01/17
LiTaO3 ICSD 9537 R3c (161) ✗ 10 68 3 3.8149 3.837 0.000 (0;000) ✗ 06/10/16
K2LiBO3 ICSD 60949 C2 (5) ✗ 14 84 1 3.8165 3.823 0.000 (0;000) ✗ 15/02/17
Cs3TlF6 COD 1529658 I4/mmm (139) ✔ 10 82 3 3.8175 4.134 0.000 (0;000) ✗ 02/02/17
LiAlAs2O7 ICSD 161498 C2 (5) ✗ 11 58 3 3.8176 3.895 0.000 (0;000) ✗ 15/02/17
SiO2 ICSD 75665 Pm (6) ✗ 12 64 3 3.8179 4.380 0.000 (0;000) ✗ 06/10/16
TiO2 ICSD 41493 P3_121 (152) ✗ 9 72 3 3.8185 3.903 0.000 (0;000) ✗ 06/10/16
LiIO3 ICSD 35475 P6_3 (173) ✗ 10 56 1 3.8193 3.892 0.000 (0;000) ✗ 29/11/16
Ba2ZnWO6 ICSD 24983 Fm-3m (225) ✔ 10 82 3 3.82 3.896 0.000 (0;000) ✗ 05/01/17
CsI ICSD 61517 Fm-3m (225) ✔ 2 16 1 3.8212 3.821 0.000 (0;000) ✗ 22/03/17
Si3N4 COD 1001249 P6_3/m (176) ✔ 14 64 3 3.8214 4.349 0.000 (0;000) ✗ 27/01/17
CsBrO4 COD 4031454 I4_1/amd (141) ✔ 12 80 1 3.8217 3.822 0.000 (0;000) ✗ 02/02/17
KZnF3 COD 5910077 Pm-3m (221) ✔ 5 42 3 3.8219 5.649 0.000 (0;000) ✗ 27/01/17
LiH3IN ICSD 55064 P2_1 (4) ✗ 12 36 1 3.8239 3.825 0.000 (0;000) ✗ 15/02/17
Cs2LiVO4 ICSD 40219 Cmc2_1 (36) ✗ 16 116 1 3.8248 3.850 0.000 (0;000) ✗ 22/03/17
AlTl(MoO4)2 ICSD 250339 P-3m1 (164) ✔ 12 92 2 3.8281 3.985 0.000 (0;000) ✗ 05/01/17
NaZnF3 ICSD 69349 Pnma (62) ✔ 20 168 3 3.8293 3.829 0.000 (0;000) ✗ 02/02/17
ZnCl2 COD 4343817 Pna2_1 (33) ✗ 12 104 3 3.8314 3.832 0.000 (0;000) ✗ 22/03/17
Ca2ScSbO6 ICSD 262995 P2_1/c (14) ✔ 20 144 3 3.8324 4.021 0.000 (0;000) ✗ 02/02/17
BaGeO3 ICSD 23925 P2_12_12_1 (19) ✗ 20 128 1 3.833 3.835 0.000 (0;000) ✗ 21/03/17
ZrGeO4 ICSD 29262 I4_1/a (88) ✔ 12 64 3 3.8336 4.048 0.000 (0;000) ✗ 27/01/17
Na4B2O5 COD 1524718 C2/c (15) ✔ 22 144 1 3.8345 3.860 0.000 (0;000) ✗ 04/08/17
Sr2NbInO6 ICSD 99696 P2_1/c (14) ✔ 20 164 3 3.8346 3.882 0.000 (0;000) ✗ 02/02/17
TaInO4 COD 4329321 P2/c (13) ✔ 12 100 3 3.8358 3.989 0.000 (0;000) ✗ 27/01/17
SrHfO3 COD 1010425 Pm-3m (221) ✔ 5 40 3 3.8365 4.058 0.000 (0;000) ✗ 27/01/17
CaCO3 ICSD 186773 P-1 (2) ✔ 10 64 1 3.8372 3.837 0.000 (0;000) ✗ 27/01/17
KBrO4 COD 4343799 Pnma (62) ✔ 24 160 1 3.8377 3.880 0.000 (0;000) ✗ 04/08/17
Na2MoO4 ICSD 151971 Fddd (70) ✔ 14 112 1 3.8382 3.838 0.000 (0;000) ✗ 02/02/17
TeOF2 COD 1521091 P2_1 (4) ✗ 16 104 3 3.8393 3.841 0.000 (0;000) ✗ 22/03/17
Mg3(HO2)2 COD 1531164 P-3m1 (164) ✔ 18 112 1 3.8412 3.841 0.000 (0;000) ✗ 27/01/17
AsClF8 ICSD 23775 C2/c (15) ✔ 20 136 1 3.8415 3.876 0.000 (0;000) ✗ 30/01/17
NaScCl4 ICSD 402273 Pbcn (60) ✔ 24 192 1 3.843 3.885 0.000 (0;000) ✗ 04/08/17
NaNbO3 COD 9015979 R-3 (148) ✔ 10 80 1 3.8433 3.871 0.000 (0;000) ✗ 27/01/17
Sr(AsO3)2 ICSD 420297 P6_3/mcm (193) ✔ 18 112 2 3.844 4.081 0.000 (0;000) ✗ 30/01/17
PCl3 ICSD 27798 Pnma (62) ✔ 16 104 1 3.8453 3.871 0.000 (0;000) ✗ 02/02/17
BaAl2O4 COD 1010039 P6_322 (182) ✗ 14 80 3 3.8461 4.116 0.000 (0;000) ✗ 16/03/17
Cs2LiScCl6 ICSD 65734 R-3m (166) ✔ 20 148 1 3.8468 3.847 0.000 (0;000) ✗ 22/03/17
SrSeO3 COD 2213989 P2_1/m (11) ✔ 10 68 1 3.848 3.849 0.000 (0;000) ✗ 27/01/17
Zr3GeO8 ICSD 29263 I-42m (121) ✗ 12 64 3 3.8494 4.000 0.000 (0;000) ✗ 07/10/16
KC2N3 ICSD 411932 Pnma (62) ✔ 24 128 1 3.8498 3.850 0.000 (0;000) ✗ 04/08/17
CIN ICSD 77911 R3m (160) ✗ 3 16 1 3.8512 3.926 0.000 (0;000) ✗ 06/10/16
KSO4 ICSD 54024 P-1 (2) ✔ 12 78 1 3.8529 3.879 0.000 (0;000) ✗ 27/01/17
AlHO2 COD 1011027 Pnma (62) ✔ 16 64 3 3.8534 3.853 0.000 (0;000) ✗ 05/01/17
Ca(AsO3)2 ICSD 81064 P-31m (162) ✔ 9 56 2 3.8558 4.178 0.000 (0;000) ✗ 05/01/17
Li2S COD 1526194 Pnma (62) ✔ 12 48 2 3.8559 4.113 0.000 (0;000) ✗ 27/01/17
CsSrN9 COD 8103571 C2/c (15) ✔ 22 128 1 3.8586 3.952 0.000 (0;000) ✗ 07/08/17
BaNaBO3 COD 2003991 C2/m (12) ✔ 12 80 1 3.8607 3.861 0.000 (0;000) ✗ 05/01/17
SrSO4 ICSD 23744 F-43m (216) ✗ 6 40 1 3.8609 3.867 0.000 (0;000) ✗ 15/02/17
ZnCl2 ICSD 15916 I-42d (122) ✗ 6 52 3 3.8632 3.863 0.000 (0;000) ✗ 06/10/16
H2C2O COD 7054719 P2_1 (4) ✗ 20 64 1 3.8651 3.865 0.000 (0;000) ✗ 21/03/17
CaCO3 COD 9016600 Pnma (62) ✔ 20 128 1 3.8664 3.866 0.000 (0;000) ✗ 02/02/17
Sr(AsO3)2 ICSD 420296 P-31m (162) ✔ 9 56 2 3.8678 4.175 0.000 (0;000) ✗ 05/01/17
Al4CO4 COD 2310612 Cmc2_1 (36) ✗ 18 80 3 3.8694 3.958 0.000 (0;000) ✗ 21/03/17
HfO2 COD 9009016 Fm-3m (225) ✔ 3 24 3 3.8709 3.871 0.000 (0;000) ✗ 27/01/17
Sr7(H6Cl)2 ICSD 418948 P-6 (174) ✗ 21 96 1 3.8726 3.886 0.000 (0;000) ✗ 04/08/17
Li2W2O7 ICSD 21048 P-1 (2) ✔ 22 208 1 3.8733 3.915 0.000 (0;000) ✗ 07/08/17
CaWO4 ICSD 193048 C2/c (15) ✔ 12 124 3 3.8738 3.874 0.000 (0;000) ✗ 11/04/17
KAsO2 ICSD 413149 Pbcm (57) ✔ 16 104 1 3.8754 3.965 0.000 (0;000) ✗ 30/01/17
CaTaAlO5 ICSD 50718 C2/c (15) ✔ 16 112 3 3.8797 3.978 0.000 (0;000) ✗ 30/01/17
K2Pb(SO4)2 COD 9012718 R-3m (166) ✔ 13 92 1 3.8802 4.111 0.000 (0;000) ✗ 27/01/17
Mg4H2O5 COD 1531161 P-3m1 (164) ✔ 11 72 2 3.8834 3.883 0.000 (0;000) ✗ 27/01/17
BeCN2 ICSD 181041 I-42d (122) ✗ 8 36 3 3.8848 3.885 0.000 (0;000) ✗ 07/10/16
AsCl3 COD 4317526 P2_12_12_1 (19) ✗ 16 104 1 3.8861 4.275 0.000 (0;000) ✗ 21/03/17
RbBrF4 ICSD 65713 I4/mcm (140) ✔ 12 88 2 3.8888 3.889 0.000 (0;000) ✗ 02/02/17
KSeO2F ICSD 78398 P2_1/m (11) ✔ 10 68 1 3.8904 3.918 0.000 (0;000) ✗ 27/01/17
KBrO3 ICSD 74767 R3m (160) ✗ 5 34 1 3.8919 3.892 0.000 (0;000) ✗ 06/10/16
LiTaGeO5 COD 2103314 C2/c (15) ✔ 16 100 3 3.8933 3.893 0.000 (0;000) ✗ 02/02/17
ScSeO3F ICSD 251184 P-1 (2) ✔ 12 84 3 3.8993 3.981 0.000 (0;000) ✗ 27/01/17
H2C2O COD 7054718 P2_1 (4) ✗ 20 64 1 3.8994 3.899 0.000 (0;000) ✗ 21/03/17
Hg ICSD 31091 I-42d (122) ✗ 4 48 1 3.9013 3.933 0.000 (0;000) ✗ 29/03/17
Rb2IN3 ICSD 202078 P4/mbm (127) ✔ 12 80 1 3.9037 3.904 0.000 (0;000) ✗ 02/02/17
Na2CO3 COD 9011304 C2/m (12) ✔ 12 80 1 3.9041 3.923 0.000 (0;000) ✗ 27/01/17
Sr(HO)2 ICSD 15167 Pnma (62) ✔ 20 96 1 3.9041 4.028 0.000 (0;000) ✗ 02/02/17
SrC2(SN)2 ICSD 94427 C2/c (15) ✔ 14 80 1 3.9047 3.934 0.000 (0;000) ✗ 02/02/17
Ba2YSbO6 ICSD 163373 Fm-3m (225) ✔ 10 72 3 3.9063 3.906 0.000 (0;000) ✗ 05/01/17
LiIO3 ICSD 80026 P6_3 (173) ✗ 10 56 1 3.9069 3.948 0.000 (0;000) ✗ 06/10/16
KBrO3 ICSD 47173 R3m (160) ✗ 5 34 1 3.909 3.909 0.000 (0;000) ✗ 06/10/16
Sr2YTaO6 COD 2100266 P2_1/c (14) ✔ 20 160 3 3.9094 3.944 0.000 (0;000) ✗ 02/02/17
Mg5(HO3)2 COD 1531159 P-3m1 (164) ✔ 13 88 2 3.9109 3.911 0.000 (0;000) ✗ 27/01/17
Na3Mo(OF)3 ICSD 97452 R3 (146) ✗ 10 80 1 3.9124 4.098 0.000 (0;000) ✗ 15/02/17
Cs2MgFe(CN)6 ICSD 6086 Fm-3m (225) ✔ 16 90 3 3.9146 4.111 0.000 (0;000) ✗ 02/02/17
Sr3GaO4F ICSD 50734 I4/mcm (140) ✔ 18 148 1 3.9186 4.088 0.000 (0;000) ✗ 02/02/17
KSnSO4F ICSD 94532 P-1 (2) ✔ 16 120 1 3.9195 4.046 0.000 (0;000) ✗ 02/02/17
NaSO4 COD 2208366 P-1 (2) ✔ 12 78 1 3.9204 3.927 0.000 (0;000) ✗ 27/01/17
Cs2Li2GeO4 ICSD 36532 P-1 (2) ✔ 18 104 2 3.9221 4.022 0.000 (0;000) ✗ 02/02/17
K2CO3 COD 9009645 P2_1/c (14) ✔ 24 160 1 3.9261 3.926 0.000 (0;000) ✗ 04/08/17
Y2Ga2Fe15 ICSD 631854 R-3m (166) ✔ 19 168 3 3.9297 0.021 1.000 (0;000) ✗ 22/03/17
Ge(TeO3)2 COD 2017124 P2_1/c (14) ✔ 18 104 3 3.9301 4.065 0.000 (0;000) ✗ 02/02/17
PH4Br ICSD 23691 P4/nmm (129) ✔ 12 32 1 3.9308 4.105 0.000 (0;000) ✗ 27/01/17
CsGaBr4 ICSD 4037 Pnma (62) ✔ 24 200 1 3.931 3.931 0.000 (0;000) ✗ 04/08/17
LiAlS2 ICSD 608360 Pna2_1 (33) ✗ 16 72 3 3.9378 3.938 0.000 (0;000) ✗ 16/03/17
Cs2NaBiF6 ICSD 9382 Fm-3m (225) ✔ 10 84 1 3.9382 4.363 0.000 (0;000) ✗ 05/01/17
LiI COD 9008669 Fm-3m (225) ✔ 2 10 1 3.9399 3.940 0.000 (0;000) ✗ 30/01/17
Al2Ge2O7 COD 1001676 C2/c (15) ✔ 22 112 3 3.942 3.942 0.000 (0;000) ✗ 04/08/17
Na2MgSiO4 ICSD 15619 Pc (7) ✗ 16 112 3 3.9447 4.042 0.000 (0;000) ✗ 29/03/17
BaSeO3 ICSD 54156 P2_1/m (11) ✔ 10 68 1 3.9448 3.945 0.000 (0;000) ✗ 05/01/17
SrHfO3 ICSD 161594 P4mm (99) ✗ 5 40 3 3.9464 4.190 0.000 (0;000) ✗ 29/11/16
TlClO3 ICSD 76434 R3m (160) ✗ 5 38 1 3.9476 4.010 0.000 (0;000) ✗ 06/10/16
CaTiF6 COD 1533036 R-3m (166) ✔ 8 64 3 3.9477 3.948 0.000 (0;000) ✗ 27/01/17
Cs2NaVO4 ICSD 65963 P2_1/m (11) ✔ 16 128 1 3.9489 4.047 0.000 (0;000) ✗ 02/02/17
CaWO4 COD 9009628 I4_1/a (88) ✔ 12 124 1 3.949 3.949 0.000 (0;000) ✗ 11/04/17
LiScO2 ICSD 36124 I4_1/amd (141) ✔ 8 52 3 3.951 3.968 0.000 (0;000) ✗ 27/01/17
SrHfO3 ICSD 89385 I4/mcm (140) ✔ 10 80 3 3.9522 3.958 0.000 (0;000) ✗ 27/01/17
SrHBr COD 9009182 P4/nmm (129) ✔ 6 36 1 3.9561 3.979 0.000 (0;000) ✗ 27/01/17
ZrO2 ICSD 164736 P4_2/nmc (137) ✔ 6 48 3 3.9588 4.029 0.000 (0;000) ✗ 06/10/16
KAsF6 COD 2310606 R-3m (166) ✔ 8 56 1 3.9593 3.959 0.000 (0;000) ✗ 05/01/17
Ga2HCl3 COD 4320174 P2_1/c (14) ✔ 24 192 1 3.9594 3.964 0.000 (0;000) ✗ 04/08/17
P2CS2(OF)2 COD 2001345 P2 (3) ✗ 18 104 1 3.9644 4.085 0.000 (0;000) ✗ 22/03/17
Li5Cl3O ICSD 419852 I4/mcm (140) ✔ 18 84 1 3.9676 4.045 0.000 (0;000) ✗ 02/02/17
K3CO3F ICSD 66028 R-3c (167) ✔ 16 112 1 3.9679 3.968 0.000 (0;000) ✗ 02/02/17
NaP4N7 ICSD 410629 C2/c (15) ✔ 24 128 3 3.9679 4.005 0.000 (0;000) ✗ 04/08/17
AlTl2F5 ICSD 109365 Cmcm (63) ✔ 16 128 1 3.9681 4.029 0.000 (0;000) ✗ 30/01/17
As2O3 COD 9014252 P2_1/c (14) ✔ 20 112 2 3.969 4.192 0.000 (0;000) ✗ 30/01/17
NaAlO2 ICSD 79404 Pna2_1 (33) ✗ 16 96 3 3.9693 4.020 0.000 (0;000) ✗ 15/02/17
KAsO3 COD 4511752 P2_12_12_1 (19) ✗ 20 128 1 3.9695 3.970 0.000 (0;000) ✗ 21/03/17
Rb2LiVO4 ICSD 40218 Cmc2_1 (36) ✗ 16 116 1 3.9707 4.042 0.000 (0;000) ✗ 29/03/17
Hg(CN)2 ICSD 15896 I-42d (122) ✗ 20 120 3 3.9723 4.059 0.000 (0;000) ✗ 21/03/17
SiH3I ICSD 65044 P2_1/c (14) ✔ 20 56 1 3.9747 4.155 0.000 (0;000) ✗ 02/02/17
Rb2LiAsO4 ICSD 36644 Cmc2_1 (36) ✗ 16 100 1 3.9754 4.015 0.000 (0;000) ✗ 21/03/17
PbF2 COD 2310346 Pnma (62) ✔ 12 112 3 3.9763 4.204 0.000 (0;000) ✗ 27/01/17
K2NaTlF6 ICSD 22114 Fm-3m (225) ✔ 10 82 2 3.9766 3.977 0.000 (0;000) ✗ 27/01/17
NaBr COD 9007464 Fm-3m (225) ✔ 2 16 1 3.9836 3.984 0.000 (0;000) ✗ 27/01/17
BaN6 COD 8103674 P2_1/m (11) ✔ 14 80 1 3.9887 3.989 0.000 (0;000) ✗ 02/02/17
H2C2O COD 7054714 P-1 (2) ✔ 20 64 1 3.9925 4.100 0.000 (0;000) ✗ 02/02/17
Sr2TaInO6 ICSD 188420 Fm-3m (225) ✔ 10 82 3 3.9979 3.998 0.000 (0;000) ✗ 27/01/17
Y3GaO6 ICSD 155086 Cmc2_1 (36) ✗ 20 164 3 3.998 4.127 0.000 (0;000) ✗ 22/03/17
Sr2TaGaO6 COD 2100516 I4/m (87) ✔ 10 82 3 4.0011 4.001 0.000 (0;000) ✗ 27/01/17
AlTlF4 COD 1000222 P4/mmm (123) ✔ 6 44 2 4.0014 4.158 0.000 (0;000) ✗ 05/01/17
CsBrF6 ICSD 65712 R-3 (148) ✔ 8 58 1 4.0018 4.002 0.000 (0;000) ✗ 27/01/17
Y2C(NO)2 ICSD 245332 P-3m1 (164) ✔ 7 48 3 4.0052 4.005 0.000 (0;000) ✗ 27/01/17
AlTlF4 COD 1000407 I4/mcm (140) ✔ 12 88 2 4.0057 4.006 0.000 (0;000) ✗ 05/01/17
LiAsO3 COD 1529820 R-3 (148) ✔ 10 52 1 4.0057 4.210 0.000 (0;000) ✗ 05/01/17
YSeO3F ICSD 251183 P2_1/m (11) ✔ 12 84 3 4.006 4.135 0.000 (0;000) ✗ 27/01/17
Ge2N2O ICSD 169121 Cmc2_1 (36) ✗ 10 48 3 4.0068 4.143 0.000 (0;000) ✗ 06/10/16
MgO2 ICSD 41732 Pa3 (205) ✔ 12 88 3 4.0101 4.130 0.000 (0;000) ✗ 27/01/17
CsBiF6 COD 1527499 R-3 (148) ✔ 8 66 1 4.0108 4.011 0.000 (0;000) ✗ 05/01/17
Li2TiF6 COD 1000167 P4_2/mnm (136) ✔ 18 120 1 4.0121 4.012 0.000 (0;000) ✗ 27/01/17
Cs(BH)3 ICSD 65508 Fm-3m (225) ✔ 14 42 2 4.0127 4.210 0.000 (0;000) ✗ 02/02/17
RbAsO2 ICSD 413150 Pbcm (57) ✔ 16 104 1 4.0164 4.019 0.000 (0;000) ✗ 30/01/17
K2LiVO4 ICSD 65945 C2/m (12) ✔ 16 116 1 4.0171 4.066 0.000 (0;000) ✗ 02/02/17
AsO2 COD 9007637 Pnma (62) ✔ 24 136 3 4.0181 4.167 0.000 (0;000) ✗ 04/08/17
NaSc(GeO3)2 ICSD 22503 C2/c (15) ✔ 20 128 3 4.0198 4.020 0.000 (0;000) ✗ 02/02/17
Cs2RbBiF6 ICSD 9384 Fm-3m (225) ✔ 10 84 3 4.0212 4.051 0.000 (0;000) ✗ 02/02/17
LiIn(SiO3)2 COD 9008457 C2/c (15) ✔ 20 120 3 4.0232 4.156 0.000 (0;000) ✗ 02/02/17
Ca4Al6O13 ICSD 245370 I-43m (217) ✗ 23 136 3 4.0244 4.073 0.000 (0;000) ✗ 04/08/17
Cs2KBiF6 ICSD 9383 Fm-3m (225) ✔ 10 84 1 4.0251 4.138 0.000 (0;000) ✗ 02/02/17
Al2CdCl8 ICSD 62037 Pc (7) ✗ 22 148 3 4.0271 4.029 0.000 (0;000) ✗ 04/08/17
H2C3Cl COD 2006743 P2_1/c (14) ✔ 24 84 1 4.0279 4.071 0.000 (0;000) ✗ 04/08/17
PbF2 COD 9009027 Fm-3m (225) ✔ 3 28 3 4.0292 4.173 0.000 (0;000) ✗ 27/01/17
Cs2Li3GaO4 ICSD 69491 Ibam (72) ✔ 20 128 2 4.0292 4.029 0.000 (0;000) ✗ 02/02/17
HfCl4 ICSD 402054 P2/c (13) ✔ 10 80 1 4.0299 4.070 0.000 (0;000) ✗ 02/02/17
LiBiF4 ICSD 65404 I4_1/a (88) ✔ 12 92 3 4.0319 4.162 0.000 (0;000) ✗ 05/01/17
MgO COD 9006763 Fm-3m (225) ✔ 2 16 3 4.0329 4.033 0.000 (0;000) ✗ 27/01/17
Li7Br3O2 ICSD 67264 I4/mmm (139) ✔ 12 54 1 4.0341 4.314 0.000 (0;000) ✗ 21/03/17
RbBrO3 ICSD 74768 R3m (160) ✗ 5 34 1 4.0343 4.035 0.000 (0;000) ✗ 06/10/16
H4BrN ICSD 43300 P-43m (215) ✗ 6 16 1 4.0345 4.035 0.000 (0;000) ✗ 15/02/17
SrHCl COD 9009183 P4/nmm (129) ✔ 6 36 1 4.0353 4.068 0.000 (0;000) ✗ 27/01/17
LiPN2 ICSD 32713 I-42d (122) ✗ 8 36 3 4.0391 4.776 0.000 (0;000) ✗ 07/10/16
H4C4BrN COD 2003427 C2/m (12) ✔ 20 64 2 4.0401 4.124 0.000 (0;000) ✗ 02/02/17
LiCo(CO)4 ICSD 30854 P-43m (215) ✗ 10 60 3 4.0417 4.042 0.000 (0;000) ✗ 15/02/17
Mg(BeN)2 ICSD 413358 P-3m1 (164) ✔ 5 28 1 4.042 4.949 0.000 (0;000) ✗ 05/01/17
GeF2 COD 1528938 P2_12_12_1 (19) ✗ 12 72 1 4.0428 4.319 0.000 (0;000) ✗ 22/03/17
SrSeO3 ICSD 419386 Pnma (62) ✔ 20 136 1 4.0455 4.122 0.000 (0;000) ✗ 02/02/17
H6C2SeO COD 2015142 P-1 (2) ✔ 20 52 1 4.0465 4.129 0.000 (0;000) ✗ 02/02/17
Li3VO4 COD 1528868 Pmn2_1 (31) ✗ 16 92 1 4.0483 4.077 0.000 (0;000) ✗ 15/02/17
Cs2LiCo(CN)6 ICSD 23204 Fm-3m (225) ✔ 16 92 2 4.0485 4.056 0.000 (0;000) ✗ 02/02/17
Na2SO3 COD 1010523 P-3 (147) ✔ 12 84 1 4.0495 4.171 0.000 (0;000) ✗ 27/01/17
BrF5 ICSD 31690 Ccm2_1 (36) ✗ 12 84 1 4.0507 4.134 0.000 (0;000) ✗ 06/10/16
Li2GeO3 ICSD 100403 Ccm2_1 (36) ✗ 12 56 1 4.0511 4.230 0.000 (0;000) ✗ 06/10/16
Y2Si2O7 ICSD 28212 P2_1/c (14) ✔ 22 144 3 4.0515 4.052 0.000 (0;000) ✗ 04/08/17
YClO ICSD 60585 R-3m (166) ✔ 6 48 2 4.0542 4.591 0.000 (0;000) ✗ 27/01/17
K3Zn2F7 COD 1532738 I4/mmm (139) ✔ 12 100 2 4.0551 5.518 0.000 (0;000) ✗ 22/03/17
Ba2TaInO6 ICSD 189520 Fm-3m (225) ✔ 10 82 3 4.0575 4.058 0.000 (0;000) ✗ 05/01/17
BaZr(BO3)2 ICSD 95527 R3c (161) ✗ 20 112 2 4.0582 4.058 0.000 (0;000) ✗ 21/03/17
TaPO5 ICSD 87281 P4/n (85) ✔ 14 96 3 4.0586 4.475 0.000 (0;000) ✗ 27/01/17
Li3BrO ICSD 67265 Pm-3m (221) ✔ 5 22 1 4.0589 4.319 0.000 (0;000) ✗ 27/01/17
Ca2As2O7 ICSD 32602 C2/m (12) ✔ 11 72 1 4.0716 4.136 0.000 (0;000) ✗ 05/01/17
Sr2YSbO6 ICSD 154033 P2_1/c (14) ✔ 20 144 3 4.0722 4.086 0.000 (0;000) ✗ 02/02/17
CsBO2 COD 1511080 R-3c (167) ✔ 24 144 2 4.077 4.084 0.000 (0;000) ✗ 04/08/17
Na2SiO3 ICSD 15388 Cmc2_1 (36) ✗ 12 80 1 4.0781 4.370 0.000 (0;000) ✗ 06/10/16
Na3InCl6 ICSD 154092 P-31c (163) ✔ 20 164 1 4.0782 4.095 0.000 (0;000) ✗ 02/02/17
NaSi2N3 ICSD 72466 Cmc2_1 (36) ✗ 12 64 3 4.0847 4.085 0.000 (0;000) ✗ 06/10/16
RbBO2 COD 2014187 R-3c (167) ✔ 24 144 1 4.0852 4.085 0.000 (0;000) ✗ 04/08/17
Na3ScCl6 ICSD 166749 P2_1/c (14) ✔ 20 160 1 4.0856 4.103 0.000 (0;000) ✗ 02/02/17
LiGaO2 ICSD 28388 R-3m (166) ✔ 4 28 2 4.0872 4.268 0.000 (0;000) ✗ 27/01/17
SiBr3 COD 2019711 C2/m (12) ✔ 8 50 1 4.0947 4.095 0.000 (0;000) ✗ 02/02/17
BaMg(CO3)2 COD 9011458 R-3m (166) ✔ 10 64 2 4.0954 4.178 0.000 (0;000) ✗ 27/01/17
P4SO7 ICSD 82358 P-1 (2) ✔ 24 136 1 4.0971 4.238 0.000 (0;000) ✗ 04/08/17
CsAl(MoO4)2 COD 2201257 P-3m1 (164) ✔ 12 88 2 4.0981 4.098 0.000 (0;000) ✗ 30/01/17
Na3VH6O7 ICSD 62533 R3 (146) ✗ 17 88 1 4.1033 4.120 0.000 (0;000) ✗ 15/02/17
Cs2NaAsO4 ICSD 36533 P2_1/m (11) ✔ 16 112 1 4.104 4.122 0.000 (0;000) ✗ 30/01/17
H2C3F COD 4116821 P2_1/c (14) ✔ 24 84 1 4.1064 4.146 0.000 (0;000) ✗ 04/08/17
SiO2 COD 4124073 R-3m (166) ✔ 18 96 3 4.1075 4.108 0.000 (0;000) ✗ 02/02/17
YH3(CO2)3 ICSD 109739 R3m (160) ✗ 13 62 3 4.1092 4.109 0.000 (0;000) ✗ 15/02/17
NaC2N3 COD 4300181 Pnma (62) ✔ 24 128 1 4.1109 4.141 0.000 (0;000) ✗ 04/08/17
CoH3(CN)6 ICSD 28502 P-31m (162) ✔ 16 74 3 4.1114 4.130 0.000 (0;000) ✗ 02/02/17
MgBr2 COD 9009107 P-3m1 (164) ✔ 3 24 2 4.1115 4.112 0.000 (0;000) ✗ 27/01/17
Ba2TiOF6 COD 1000341 Cc (9) ✗ 20 160 1 4.1131 4.113 0.000 (0;000) ✗ 21/03/17
B4CCl6O ICSD 280617 R3m (160) ✗ 12 64 1 4.1136 4.192 0.000 (0;000) ✗ 22/03/17
Y2O3 ICSD 181826 C2/m (12) ✔ 15 120 3 4.1158 4.327 0.000 (0;000) ✗ 27/01/17
H2CBr2 COD 2100676 C2/c (15) ✔ 20 80 1 4.1172 4.203 0.000 (0;000) ✗ 02/02/17
ZrP2(HO3)2 ICSD 201970 P-3m1 (164) ✔ 11 52 3 4.1243 4.124 0.000 (0;000) ✗ 27/01/17
NaCSN ICSD 22273 Pnma (62) ✔ 16 96 1 4.1244 4.235 0.000 (0;000) ✗ 02/02/17
Y(HO)3 COD 4031388 P6_3/m (176) ✔ 14 64 3 4.1247 4.125 0.000 (0;000) ✗ 27/01/17
KRb2BiF6 ICSD 9387 Fm-3m (225) ✔ 10 84 3 4.1293 4.131 0.000 (0;000) ✗ 02/02/17
Rb2NaBiF6 ICSD 9386 Fm-3m (225) ✔ 10 84 1 4.1294 4.307 0.000 (0;000) ✗ 05/01/17
Ge(SeO3)2 ICSD 422883 P2_1/c (14) ✔ 18 104 3 4.1298 4.130 0.000 (0;000) ✗ 02/02/17
Cs2NaYBr6 ICSD 65733 Fm-3m (225) ✔ 10 80 2 4.1305 4.131 0.000 (0;000) ✗ 02/02/17
Rb2Li2SiO4 ICSD 61086 P-1 (2) ✔ 18 104 2 4.1321 4.216 0.000 (0;000) ✗ 02/02/17
Li2HIO ICSD 74930 Pnma (62) ✔ 20 80 1 4.1333 4.133 0.000 (0;000) ✗ 02/02/17
BaBr2 COD 1527183 Pnma (62) ✔ 12 96 1 4.134 4.134 0.000 (0;000) ✗ 02/02/17
Rb2TiO3 ICSD 6101 Cmce (64) ✔ 24 192 1 4.1346 4.155 0.000 (0;000) ✗ 04/08/17
K2Al2O3F2 ICSD 421736 C2/m (12) ✔ 18 112 2 4.135 4.135 0.000 (0;000) ✗ 30/01/17
BaN3Cl ICSD 418423 P2_1/m (11) ✔ 10 64 1 4.1365 4.321 0.000 (0;000) ✗ 05/01/17
LiI ICSD 414242 P6_3mc (186) ✗ 4 20 1 4.1367 4.137 0.000 (0;000) ✗ 06/10/16
AlBr3 ICSD 83432 P2_1/c (14) ✔ 16 96 1 4.1378 4.138 0.000 (0;000) ✗ 30/01/17
AlH2PbO2F3 ICSD 79740 P-1 (2) ✔ 18 104 2 4.138 4.338 0.000 (0;000) ✗ 05/01/17
BaMg(CO3)2 ICSD 193059 R-3m (166) ✔ 10 64 2 4.141 4.238 0.000 (0;000) ✗ 02/02/17
As2O3 COD 4513566 Fd-3m (227) ✔ 20 112 1 4.1418 4.179 0.000 (0;000) ✗ 30/01/17
RbBr ICSD 61560 Pm-3m (221) ✔ 2 16 1 4.1418 4.159 0.000 (0;000) ✗ 27/01/17
ZnSO4 COD 9009831 Pnma (62) ✔ 24 168 3 4.1427 4.192 0.000 (0;000) ✗ 04/08/17
AlInCl4 COD 2206752 Pnma (62) ✔ 24 176 1 4.1454 4.271 0.000 (0;000) ✗ 04/08/17
BaCrO4 COD 5910178 Pnma (62) ✔ 24 192 1 4.1477 4.160 0.000 (0;000) ✗ 04/08/17
BaCSNCl ICSD 94400 P2_1/m (11) ✔ 10 64 1 4.1497 4.249 0.000 (0;000) ✗ 02/02/17
NaCNO COD 1010310 R3m (160) ✗ 4 24 1 4.1504 4.294 0.000 (0;000) ✗ 15/02/17
Ca3Tl5 ICSD 380324 Cmcm (63) ✔ 16 190 3 4.1527 0.000 1.000 (0;000) ✗ 21/03/17
C COD 9012303 Fd-3m (227) ✔ 2 8 3 4.1576 5.595 0.000 (0;000) ✗ 27/01/17
AlB3N4 ICSD 187053 P-43m (215) ✗ 8 32 3 4.1581 4.158 0.000 (0;000) ✗ 06/10/16
BaWO4 ICSD 52384 I4_1/a (88) ✔ 12 124 2 4.1591 4.294 0.000 (0;000) ✗ 11/04/17
MgSiN2 COD 1520911 Pna2_1 (33) ✗ 16 96 3 4.1594 4.589 0.000 (0;000) ✗ 15/02/17
ScAsO4 ICSD 155920 I4_1/amd (141) ✔ 12 80 3 4.1602 4.160 0.000 (0;000) ✗ 05/01/17
Ca(CO)4 ICSD 248078 I4_1/amd (141) ✔ 18 100 1 4.1602 4.205 0.000 (0;000) ✗ 02/02/17
CaAl4O7 COD 3500014 C2/c (15) ✔ 24 128 3 4.1612 4.161 0.000 (0;000) ✗ 04/08/17
NaScAs2O7 ICSD 161501 C2 (5) ✗ 11 72 3 4.1616 4.227 0.000 (0;000) ✗ 15/02/17
TaAlO4 COD 2002498 C2/m (12) ✔ 12 80 3 4.1642 4.519 0.000 (0;000) ✗ 05/01/17
Zn(H4N5)2 ICSD 421952 P-1 (2) ✔ 19 70 1 4.165 4.209 0.000 (0;000) ✗ 27/01/17
SrSeO4 COD 9014342 P2_1/c (14) ✔ 24 160 1 4.1668 4.182 0.000 (0;000) ✗ 04/08/17
NaAlAsO4F COD 1011040 C2/c (15) ✔ 16 96 3 4.1684 4.168 0.000 (0;000) ✗ 05/01/17
SiO2 COD 1010921 P2_13 (198) ✗ 24 128 3 4.1689 4.182 0.000 (0;000) ✗ 04/08/17
P(CF3)2 COD 4321851 P-1 (2) ✔ 18 110 1 4.1715 4.308 0.000 (0;000) ✗ 02/02/17
HfO2 COD 9013470 P2_1/c (14) ✔ 12 96 3 4.1729 4.216 0.000 (0;000) ✗ 27/01/17
Na2SiO3 ICSD 24664 Ccm2_1 (36) ✗ 12 80 1 4.1761 4.502 0.000 (0;000) ✗ 06/10/16
NaCaVO4 ICSD 28121 Cmcm (63) ✔ 14 112 1 4.1787 4.266 0.000 (0;000) ✗ 27/01/17
Cs2Li2SiO4 ICSD 33809 P-1 (2) ✔ 18 104 2 4.1815 4.319 0.000 (0;000) ✗ 02/02/17
SeOF2 COD 4031233 Pca2_1 (29) ✗ 16 104 1 4.1822 4.182 0.000 (0;000) ✗ 22/03/17
NaCSN ICSD 953 Pnma (62) ✔ 16 96 1 4.1824 4.311 0.000 (0;000) ✗ 02/02/17
BH8N ICSD 247614 Pma2 (28) ✗ 20 32 1 4.1825 4.883 0.000 (0;000) ✗ 15/02/17
Sr3V2O8 ICSD 167701 R-3m (166) ✔ 13 104 1 4.1826 4.367 0.000 (0;000) ✗ 27/01/17
BN COD 2016173 P6_3/mmc (194) ✔ 4 16 2 4.1848 4.579 0.000 (0;000) ✗ 27/01/17
K3SeO4F ICSD 82750 I4/mcm (140) ✔ 18 128 3 4.1863 4.311 0.000 (0;000) ✗ 02/02/17
SNF ICSD 21015 R-3 (148) ✔ 18 108 1 4.1893 4.216 0.000 (0;000) ✗ 02/02/17
SrBe3O4 ICSD 26179 P-62c (190) ✗ 16 92 1 4.1894 4.189 0.000 (0;000) ✗ 15/02/17
MgSeO3 ICSD 494 Pnma (62) ✔ 20 136 3 4.1899 4.512 0.000 (0;000) ✗ 02/02/17
YClO COD 9009190 P4/nmm (129) ✔ 6 48 3 4.19 4.190 0.000 (0;000) ✗ 27/01/17
Na3YBr6 ICSD 82355 P2_1/c (14) ✔ 20 160 1 4.1906 4.214 0.000 (0;000) ✗ 02/02/17
KSrCO3F ICSD 262231 P-6m2 (187) ✗ 7 48 1 4.1919 4.195 0.000 (0;000) ✗ 15/02/17
LiScAs2O7 ICSD 161499 C2 (5) ✗ 11 66 3 4.194 4.317 0.000 (0;000) ✗ 15/02/17
CaSn(BO3)2 COD 9009324 R-3 (148) ✔ 10 66 2 4.1999 4.540 0.000 (0;000) ✗ 05/01/17
MgH2SeO5 ICSD 66745 C2/c (15) ✔ 18 96 3 4.2015 4.202 0.000 (0;000) ✗ 27/01/17
RbBr COD 9008706 Fm-3m (225) ✔ 2 16 1 4.2029 4.203 0.000 (0;000) ✗ 27/01/17
SrCa(CO3)2 ICSD 201461 Pmc2_1 (26) ✗ 20 128 1 4.2035 4.204 0.000 (0;000) ✗ 21/03/17
KH3O2 ICSD 47114 P2_1/c (14) ✔ 24 96 1 4.2058 4.232 0.000 (0;000) ✗ 04/08/17
Si(CN2)2 COD 1526364 Pn-3m (224) ✔ 14 64 3 4.2091 4.209 0.000 (0;000) ✗ 02/02/17
KNaW(OF2)2 ICSD 422709 P4/nmm (129) ✔ 18 144 1 4.2098 0.002 1.000 (0;000) ✗ 02/02/17
TlGaCl4 ICSD 419825 Pnma (62) ✔ 24 216 1 4.2125 4.236 0.000 (0;000) ✗ 04/08/17
TeF4 ICSD 85452 P2_12_12_1 (19) ✗ 20 136 2 4.2126 4.283 0.000 (0;000) ✗ 22/03/17
SiBr4 COD 2105707 P2_1/c (14) ✔ 20 128 1 4.2129 4.288 0.000 (0;000) ✗ 02/02/17
Li2ZnCl4 ICSD 402398 Fd-3m (227) ✔ 14 92 2 4.2131 4.213 0.000 (0;000) ✗ 02/02/17
ReH4NO4 ICSD 1394 I4_1/a (88) ✔ 20 96 1 4.2132 4.213 0.000 (0;000) ✗ 02/02/17
BaCO3 COD 9006846 Pnma (62) ✔ 20 128 1 4.2133 4.219 0.000 (0;000) ✗ 02/02/17
K2Mg(CO3)2 ICSD 31295 R-3m (166) ✔ 11 72 1 4.2143 4.214 0.000 (0;000) ✗ 27/01/17
Sr3AlO4F ICSD 50736 I4/mcm (140) ✔ 18 128 1 4.2152 4.582 0.000 (0;000) ✗ 30/01/17
Sr(BrO3)2 ICSD 61158 Cc (9) ✗ 18 120 1 4.2156 4.324 0.000 (0;000) ✗ 21/03/17
OsO4 ICSD 24672 C2 (5) ✗ 5 40 1 4.2187 4.251 0.000 (0;000) ✗ 06/10/16
Na2SiO3 ICSD 74640 Ccm2_1 (36) ✗ 12 80 1 4.2212 4.540 0.000 (0;000) ✗ 06/10/16
S(ClO)2 ICSD 62970 F2dd (43) ✗ 10 64 1 4.2223 4.232 0.000 (0;000) ✗ 06/10/16
NaYO2 ICSD 2740 C2/c (15) ✔ 16 128 3 4.2228 4.223 0.000 (0;000) ✗ 02/02/17
K4CdCl6 COD 1527141 R-3c (167) ✔ 22 180 1 4.2284 4.251 0.000 (0;000) ✗ 07/08/17
LiYO2 COD 1008941 P2_1/c (14) ✔ 16 104 3 4.2319 4.232 0.000 (0;000) ✗ 02/02/17
SrHfO3 COD 1521390 Pnma (62) ✔ 20 160 3 4.2339 4.290 0.000 (0;000) ✗ 02/02/17
MgSiN2 ICSD 186509 R-3m (166) ✔ 4 24 3 4.2341 5.092 0.000 (0;000) ✗ 27/01/17
Cs2NaTlF6 ICSD 22118 Fm-3m (225) ✔ 10 82 1 4.2365 4.237 0.000 (0;000) ✗ 27/01/17
CsMgBr3 ICSD 87260 P6_3/mmc (194) ✔ 10 80 1 4.2366 4.237 0.000 (0;000) ✗ 02/02/17
InAsF6 ICSD 417952 R-3 (148) ✔ 8 60 1 4.2374 4.350 0.000 (0;000) ✗ 05/01/17
Rb2WO4 ICSD 24905 C2/m (12) ✔ 14 140 1 4.2379 4.358 0.000 (0;000) ✗ 11/04/17
AlSCl3O2 COD 4309364 P-1 (2) ✔ 14 84 1 4.238 4.294 0.000 (0;000) ✗ 30/01/17
Tl2SnF6 ICSD 410801 P-3m1 (164) ✔ 9 82 1 4.2428 4.247 0.000 (0;000) ✗ 27/01/17
MgMoH2O5 ICSD 202695 P-1 (2) ✔ 18 112 3 4.2496 4.341 0.000 (0;000) ✗ 02/02/17
BaZr(PO4)2 ICSD 153124 C2/m (12) ✔ 12 72 2 4.2542 4.311 0.000 (0;000) ✗ 05/01/17
AlGaCl4 ICSD 62232 P2_1/c (14) ✔ 24 176 1 4.2557 4.259 0.000 (0;000) ✗ 04/08/17
CsN3 ICSD 25008 I4/mcm (140) ✔ 8 48 1 4.2572 4.296 0.000 (0;000) ✗ 27/01/17
Mg(AlH4)2 ICSD 152538 P-3m1 (164) ✔ 11 24 3 4.2588 4.779 0.000 (0;000) ✗ 05/01/17
KBO2 COD 9015380 R-3c (167) ✔ 24 144 1 4.2603 4.260 0.000 (0;000) ✗ 04/08/17
Cs2Li2TiO4 ICSD 33810 P-1 (2) ✔ 18 120 2 4.2643 4.371 0.000 (0;000) ✗ 02/02/17
NaSbF4 ICSD 24750 P2_1/c (14) ✔ 24 168 2 4.2647 4.267 0.000 (0;000) ✗ 04/08/17
RbSrCO3F ICSD 262233 P-6m2 (187) ✗ 7 48 1 4.2648 4.268 0.000 (0;000) ✗ 15/02/17
NaHCN2 ICSD 2495 Pbcm (57) ✔ 20 96 1 4.265 4.266 0.000 (0;000) ✗ 02/02/17
GaCl3 ICSD 413455 C2/m (12) ✔ 8 68 1 4.2652 4.266 0.000 (0;000) ✗ 02/02/17
AgB(CN)4 ICSD 411179 P-43m (215) ✗ 10 50 3 4.2688 4.338 0.000 (0;000) ✗ 15/02/17
Cl2O7 ICSD 63680 C2/c (15) ✔ 18 112 1 4.2757 4.354 0.000 (0;000) ✗ 02/02/17
Ba2Ca(BO3)2 ICSD 80429 C2/m (12) ✔ 11 72 1 4.2772 4.277 0.000 (0;000) ✗ 05/01/17
LiHO COD 9008958 P4/nmm (129) ✔ 6 20 1 4.2789 4.279 0.000 (0;000) ✗ 27/01/17
K3Na(SeO4)2 COD 2101023 P-3m1 (164) ✔ 14 96 1 4.281 4.343 0.000 (0;000) ✗ 02/02/17
BN ICSD 236992 P6_3/mmc (194) ✔ 4 16 2 4.2811 4.562 0.000 (0;000) ✗ 27/01/17
KBr COD 9009734 Fm-3m (225) ✔ 2 16 1 4.2926 4.293 0.000 (0;000) ✗ 27/01/17
AlN ICSD 163951 Ccmm (63) ✔ 4 16 3 4.2953 5.458 0.000 (0;000) ✗ 06/10/16
Cs2LiAsO4 ICSD 36645 Cmc2_1 (36) ✗ 16 100 1 4.2956 4.307 0.000 (0;000) ✗ 21/03/17
Na4Sr(SiO3)3 ICSD 33943 C2 (5) ✗ 17 112 1 4.2957 4.296 0.000 (0;000) ✗ 29/03/17
Sr2TaInO6 ICSD 188417 P2_1/c (14) ✔ 20 164 3 4.2964 4.316 0.000 (0;000) ✗ 02/02/17
ScBO3 COD 2018876 R-3c (167) ✔ 10 64 3 4.2967 4.297 0.000 (0;000) ✗ 27/01/17
Na2Sn(HO)6 ICSD 92464 R-3 (148) ✔ 15 74 1 4.3005 4.530 0.000 (0;000) ✗ 27/01/17
Ca5B3O9F ICSD 69537 Cm (8) ✗ 18 120 1 4.3024 4.302 0.000 (0;000) ✗ 21/03/17
RbN3 ICSD 34273 I4/mcm (140) ✔ 8 48 1 4.3028 4.303 0.000 (0;000) ✗ 27/01/17
BaSn(PO4)2 COD 7001616 C2/m (12) ✔ 12 82 2 4.3034 4.396 0.000 (0;000) ✗ 05/01/17
KReO4 COD 2106705 I4_1/a (88) ✔ 12 96 1 4.3067 4.307 0.000 (0;000) ✗ 02/02/17
Ba(BrO3)2 ICSD 40287 Fdd2 (43) ✗ 18 120 1 4.3085 4.319 0.000 (0;000) ✗ 21/03/17
KC2IN2 ICSD 40370 C2/m (12) ✔ 6 34 1 4.3089 4.378 0.000 (0;000) ✗ 21/03/17
RbLiBr2 ICSD 30719 Cmcm (63) ✔ 8 52 1 4.3123 4.312 0.000 (0;000) ✗ 02/02/17
CsK2Sc(PO4)2 ICSD 61787 P-3m1 (164) ✔ 14 96 3 4.3143 4.408 0.000 (0;000) ✗ 02/02/17
Cd COD 4030924 P-1 (2) ✔ 1 12 1 4.3147 4.315 0.000 (0;000) ✗ 02/02/17
SiO2 COD 4124069 Pnnn (48) ✔ 24 128 3 4.3183 4.694 0.000 (0;000) ✗ 04/08/17
Y3BrO4 ICSD 419384 Cmcm (63) ✔ 16 128 3 4.3204 4.320 0.000 (0;000) ✗ 02/02/17
YTaO4 ICSD 109190 C2/c (15) ✔ 12 96 3 4.321 4.479 0.000 (0;000) ✗ 27/01/17
Sr2C(NCl)2 ICSD 391257 C2/m (12) ✔ 7 48 1 4.3237 4.743 0.000 (0;000) ✗ 27/01/17
BaCO3 COD 9006847 P6_3/mmc (194) ✔ 10 64 1 4.3243 4.751 0.000 (0;000) ✗ 27/01/17
BaSi6N8O ICSD 415272 Imm2 (44) ✗ 16 80 3 4.3246 4.411 0.000 (0;000) ✗ 15/02/17
K2ZnF4 COD 8103552 I4/mmm (139) ✔ 7 58 2 4.3258 5.758 0.000 (0;000) ✗ 27/01/17
PO2 ICSD 42777 C2/c (15) ✔ 24 136 1 4.3291 4.408 0.000 (0;000) ✗ 04/08/17
BaH4(BrO)2 ICSD 33949 C2/c (15) ✔ 18 80 1 4.3322 4.332 0.000 (0;000) ✗ 02/02/17
Mg2SiO4 COD 9000274 Pbam (55) ✔ 14 96 3 4.3337 4.334 0.000 (0;000) ✗ 27/01/17
Zn(ReO4)2 ICSD 51017 P-3 (147) ✔ 11 90 3 4.3345 4.374 0.000 (0;000) ✗ 27/01/17
CaZn(SiO3)2 COD 2014614 C2/c (15) ✔ 20 132 3 4.3367 4.435 0.000 (0;000) ✗ 02/02/17
HfO2 ICSD 79913 Pbca (61) ✔ 24 192 3 4.3367 4.480 0.000 (0;000) ✗ 04/08/17
AlTlCl4 ICSD 419828 Pnma (62) ✔ 24 176 1 4.3391 4.370 0.000 (0;000) ✗ 04/08/17
NaN3 COD 1010392 R-3m (166) ✔ 4 24 1 4.3404 4.749 0.000 (0;000) ✗ 27/01/17
CaHCl COD 9009165 P4/nmm (129) ✔ 6 36 1 4.3405 4.341 0.000 (0;000) ✗ 27/01/17
GeCl4 COD 2012797 P2_1/c (14) ✔ 20 128 1 4.342 4.405 0.000 (0;000) ✗ 02/02/17
CaCO3 COD 9016547 Pnma (62) ✔ 20 128 1 4.3434 4.687 0.000 (0;000) ✗ 02/02/17
GaBO3 COD 1520321 R-3c (167) ✔ 10 68 3 4.3438 4.344 0.000 (0;000) ✗ 05/01/17
Ca(HO)2 COD 9000113 P-3m1 (164) ✔ 5 24 1 4.3495 4.350 0.000 (0;000) ✗ 27/01/17
CsPSO2 ICSD 20543 P-1 (2) ✔ 20 128 1 4.3524 4.352 0.000 (0;000) ✗ 02/02/17
Al2ZnO4 COD 9007027 Fd-3m (227) ✔ 14 84 3 4.3543 4.357 0.000 (0;000) ✗ 05/01/17
ZrP2O7 COD 2102118 Pnnm (58) ✔ 20 112 3 4.355 4.355 0.000 (0;000) ✗ 02/02/17
CsSb2F7 COD 4343796 C2/c (15) ✔ 20 136 1 4.3589 4.409 0.000 (0;000) ✗ 02/02/17
Sr4Br6O ICSD 418452 P6_3mc (186) ✗ 22 176 1 4.3606 4.361 0.000 (0;000) ✗ 04/08/17
HfGeO4 COD 1001684 I4_1/a (88) ✔ 12 80 3 4.3629 4.433 0.000 (0;000) ✗ 27/01/17
C COD 9012592 P6_3/mmc (194) ✔ 16 64 3 4.3691 5.374 0.000 (0;000) ✗ 27/01/17
H3C4N3 COD 2205937 Pc (7) ✗ 20 68 1 4.3703 4.482 0.000 (0;000) ✗ 21/03/17
LaCl3 ICSD 23146 P2_1/m (11) ✔ 8 48 3 4.3718 4.372 0.000 (0;000) ✗ 06/10/16
CBrF2 COD 7200672 P2_1/c (14) ✔ 16 100 1 4.3722 4.447 0.000 (0;000) ✗ 02/02/17
As2SO6 COD 9012888 P2_12_12 (18) ✗ 18 104 2 4.374 4.378 0.000 (0;000) ✗ 21/03/17
H5(CO)3 COD 2008148 C2 (5) ✗ 22 70 1 4.3743 4.379 0.000 (0;000) ✗ 04/08/17
SrHBrO ICSD 407720 C2/m (12) ✔ 8 48 1 4.3807 4.381 0.000 (0;000) ✗ 27/01/17
NaCl COD 2104025 Pm-3m (221) ✔ 2 16 3 4.381 4.381 0.000 (0;000) ✗ 27/01/17
C COD 9012591 P6_3/mmc (194) ✔ 12 48 3 4.3813 5.309 0.000 (0;000) ✗ 27/01/17
Ba4Br6O ICSD 391435 P6_3mc (186) ✗ 22 176 1 4.3875 4.435 0.000 (0;000) ✗ 04/08/17
B5H9 ICSD 24636 I4mm (107) ✗ 14 24 1 4.3882 4.531 0.000 (0;000) ✗ 15/02/17
BN COD 1010602 P-6m2 (187) ✗ 4 16 2 4.3937 4.522 0.000 (0;000) ✗ 15/02/17
H5C2N2Cl COD 7203167 P2_1 (4) ✗ 20 60 1 4.3968 4.400 0.000 (0;000) ✗ 21/03/17
KC2N3 ICSD 411931 P2_1/c (14) ✔ 24 128 1 4.3977 4.398 0.000 (0;000) ✗ 04/08/17
CsHC2 ICSD 107491 R3c (161) ✗ 24 108 1 4.3992 4.467 0.000 (0;000) ✗ 04/08/17
NaLi2AsO4 ICSD 73200 Pmn2_1 (31) ✗ 16 88 1 4.4022 4.531 0.000 (0;000) ✗ 15/02/17
CsHCO2 ICSD 172202 Pbcm (57) ✔ 20 104 1 4.4038 4.408 0.000 (0;000) ✗ 02/02/17
BaBeSiO4 ICSD 86792 Cm (8) ✗ 7 42 1 4.4044 4.449 0.000 (0;000) ✗ 15/02/17
CsCSN ICSD 60871 Pnma (62) ✔ 16 96 1 4.4093 4.410 0.000 (0;000) ✗ 02/02/17
Li2MgBr4 ICSD 73276 Cmmm (65) ✔ 7 44 2 4.4109 4.411 0.000 (0;000) ✗ 27/01/17
SrZnCl4 ICSD 410191 I4_1/a (88) ✔ 12 100 1 4.4129 4.413 0.000 (0;000) ✗ 02/02/17
BaH4O3 ICSD 63017 Pmc2_1 (26) ✗ 16 64 1 4.418 4.429 0.000 (0;000) ✗ 15/02/17
HC2N3 ICSD 240778 Cmc2_1 (36) ✗ 12 48 3 4.418 4.856 0.000 (0;000) ✗ 15/02/17
NaZnSO4F ICSD 262274 C2/c (15) ✔ 16 116 3 4.4205 4.421 0.000 (0;000) ✗ 27/01/17
Li4CO4 ICSD 245392 Cm (8) ✗ 9 40 2 4.4214 4.983 0.000 (0;000) ✗ 06/10/16
Cs3H(SeO4)2 COD 2100808 C2/m (12) ✔ 14 88 1 4.4215 4.457 0.000 (0;000) ✗ 02/02/17
BaCO3 COD 1011149 Pnma (62) ✔ 20 128 2 4.4216 4.463 0.000 (0;000) ✗ 02/02/17
Sc2Si2O7 COD 1528085 C2/m (12) ✔ 11 72 3 4.4236 4.615 0.000 (0;000) ✗ 27/01/17
Na2SeO3 COD 9007931 P2_1/c (14) ✔ 24 168 1 4.4238 4.459 0.000 (0;000) ✗ 04/08/17
C COD 9012594 R-3m (166) ✔ 14 56 3 4.4247 5.344 0.000 (0;000) ✗ 22/03/17
CsLiH4SO5 ICSD 200780 Cm (8) ✗ 12 52 1 4.4294 4.773 0.000 (0;000) ✗ 15/02/17
AlN ICSD 82790 P6_3mc (186) ✗ 4 16 3 4.4303 4.430 0.000 (0;000) ✗ 06/10/16
H4CN COD 2100668 P2_1/c (14) ✔ 24 52 1 4.4325 4.433 0.000 (0;000) ✗ 04/08/17
CaSeO3 ICSD 159880 P2_1/c (14) ✔ 20 136 1 4.4343 4.590 0.000 (0;000) ✗ 02/02/17
KCaCO3F COD 2203515 P-6m2 (187) ✗ 7 48 1 4.4344 4.439 0.000 (0;000) ✗ 15/02/17
HC COD 4501704 P2_1/c (14) ✔ 24 60 1 4.4352 4.498 0.000 (0;000) ✗ 04/08/17
ZrSiO4 COD 9002561 I4_1/amd (141) ✔ 12 64 3 4.4361 4.633 0.000 (0;000) ✗ 27/01/17
NaGaCl4 ICSD 425228 P2_12_12_1 (19) ✗ 24 200 1 4.437 4.438 0.000 (0;000) ✗ 04/08/17
K2Ca(CO3)2 COD 9009292 R-3m (166) ✔ 11 72 1 4.4404 4.440 0.000 (0;000) ✗ 27/01/17
ZnPd(CN)4 ICSD 169759 P4_2/mcm (132) ✔ 20 132 3 4.4419 4.446 0.000 (0;000) ✗ 02/02/17
LiH2BrO ICSD 391154 Cmcm (63) ✔ 20 72 1 4.4428 4.473 0.000 (0;000) ✗ 02/02/17
GeP2O7 ICSD 74876 P-1 (2) ✔ 20 112 3 4.4444 4.469 0.000 (0;000) ✗ 02/02/17
C COD 9012590 P6_3/mmc (194) ✔ 8 32 3 4.4445 5.193 0.000 (0;000) ✗ 27/01/17
SbF3 ICSD 16142 Cc2m (40) ✗ 8 52 3 4.4474 4.748 0.000 (0;000) ✗ 06/10/16
KN3 COD 1010391 I4/mcm (140) ✔ 8 48 1 4.4493 4.449 0.000 (0;000) ✗ 27/01/17
AlPNCl5 ICSD 391165 P-1 (2) ✔ 16 96 1 4.4513 4.519 0.000 (0;000) ✗ 30/01/17
Rb3YF6 COD 1529659 I4/mmm (139) ✔ 10 80 1 4.4515 4.452 0.000 (0;000) ✗ 02/02/17
H4CN COD 2100671 P2_1/c (14) ✔ 24 52 1 4.4543 4.534 0.000 (0;000) ✗ 04/08/17
Li4GeO4 COD 9008154 Cmcm (63) ✔ 18 80 1 4.4557 4.456 0.000 (0;000) ✗ 27/01/17
NaSbF4 COD 1530041 P2_1/c (14) ✔ 24 168 1 4.4558 4.560 0.000 (0;000) ✗ 04/08/17
H2SeO3 ICSD 427359 P1 (1) ✗ 12 52 1 4.457 4.683 0.000 (0;000) ✗ 15/02/17
K2MoO4 COD 1527397 C2/m (12) ✔ 14 112 1 4.4572 4.576 0.000 (0;000) ✗ 02/02/17
MgSiO3 COD 2105685 C2/c (15) ✔ 20 128 3 4.4588 4.459 0.000 (0;000) ✗ 02/02/17
CsAlBr4 ICSD 83435 Pnma (62) ✔ 24 160 1 4.4615 4.462 0.000 (0;000) ✗ 04/08/17
Ba(BrO3)2 ICSD 66035 C2/c (15) ✔ 18 120 1 4.4622 4.477 0.000 (0;000) ✗ 02/02/17
SrGe(PO4)2 ICSD 423042 C2/m (12) ✔ 12 72 2 4.4632 4.536 0.000 (0;000) ✗ 27/01/17
K2WO4 ICSD 26181 C2/m (12) ✔ 14 140 1 4.4673 4.634 0.000 (0;000) ✗ 11/04/17
ScPO4 COD 2310638 I4_1/amd (141) ✔ 12 80 3 4.4694 4.641 0.000 (0;000) ✗ 27/01/17
SrCO3 COD 9008198 Pnma (62) ✔ 20 128 1 4.4705 4.482 0.000 (0;000) ✗ 02/02/17
RbReO4 ICSD 73297 I4_1/a (88) ✔ 12 96 1 4.4777 4.478 0.000 (0;000) ✗ 02/02/17
Na2MoO4 COD 2240655 Fd-3m (227) ✔ 14 112 1 4.4779 4.496 0.000 (0;000) ✗ 27/01/17
InF3 ICSD 38306 R-3c (167) ✔ 8 68 3 4.4815 4.509 0.000 (0;000) ✗ 27/01/17
LiInF4 COD 2000863 Pbcn (60) ✔ 24 176 2 4.4823 4.482 0.000 (0;000) ✗ 04/08/17
BaSO4 ICSD 62368 F-43m (216) ✗ 6 40 1 4.4829 4.488 0.000 (0;000) ✗ 15/02/17
CsCaBr3 ICSD 77242 Pm-3m (221) ✔ 5 40 1 4.484 4.646 0.000 (0;000) ✗ 27/01/17
CaCO3 ICSD 161621 Pmmn (59) ✔ 10 64 1 4.485 4.872 0.000 (0;000) ✗ 27/01/17
CaBr2 ICSD 14220 Pmnn (58) ✔ 6 48 1 4.4866 4.487 0.000 (0;000) ✗ 06/10/16
CaBr2 COD 4031227 Pnnm (58) ✔ 6 48 1 4.4868 4.487 0.000 (0;000) ✗ 27/01/17
KLi6TaO6 ICSD 73159 R-3m (166) ✔ 14 76 1 4.4879 4.670 0.000 (0;000) ✗ 27/01/17
CsBr COD 9008788 Pm-3m (221) ✔ 2 16 1 4.492 4.492 0.000 (0;000) ✗ 27/01/17
BePbF4 ICSD 24568 Pnma (62) ✔ 24 184 3 4.4935 4.523 0.000 (0;000) ✗ 04/08/17
H3C4O5 COD 5000188 Cc (9) ✗ 24 98 1 4.4946 0.001 1.000 (0;000) ✗ 04/08/17
BN ICSD 162874 F-43m (216) ✗ 2 8 3 4.4968 8.945 0.000 (0;000) ✗ 06/10/16
Al2Si2H4O9 COD 9009234 P1 (1) ✗ 17 72 2 4.497 4.574 0.000 (0;000) ✗ 15/02/17
Cs3ZnCl5 COD 2213127 I4/mcm (140) ✔ 18 148 1 4.4993 4.499 0.000 (0;000) ✗ 02/02/17
Zn(H3C)2 ICSD 262113 P2_1/c (14) ✔ 18 52 2 4.5024 4.572 0.000 (0;000) ✗ 27/01/17
BaSeO4 COD 8102886 Pnma (62) ✔ 24 160 1 4.5065 4.555 0.000 (0;000) ✗ 04/08/17
PHSF2 ICSD 63001 P2_1/c (14) ✔ 20 104 1 4.5103 4.510 0.000 (0;000) ✗ 02/02/17
InBF4 COD 1511123 Pnma (62) ✔ 24 176 1 4.5108 4.575 0.000 (0;000) ✗ 04/08/17
KNaSO4 ICSD 77343 P-3m1 (164) ✔ 14 96 1 4.5117 4.575 0.000 (0;000) ✗ 02/02/17
BaZnF4 ICSD 182607 Ccm2_1 (36) ✗ 12 100 2 4.5127 4.584 0.000 (0;000) ✗ 06/10/16
YScO3 ICSD 237285 Pnma (62) ✔ 20 160 3 4.5155 4.516 0.000 (0;000) ✗ 02/02/17
MoF6 ICSD 1879 Im-3m (229) ✔ 7 56 1 4.5156 4.617 0.000 (0;000) ✗ 02/02/17
BaCl2 ICSD 2190 P-62m (189) ✗ 9 72 1 4.5187 4.519 0.000 (0;000) ✗ 21/03/17
Mg2P2O7 COD 1530318 C2/m (12) ✔ 11 72 3 4.5221 4.522 0.000 (0;000) ✗ 27/01/17
C COD 9012593 R-3m (166) ✔ 10 40 3 4.5247 5.260 0.000 (0;000) ✗ 22/03/17
KHSeO3 ICSD 20862 P-1 (2) ✔ 12 68 1 4.525 4.707 0.000 (0;000) ✗ 27/01/17
Ge3F8 ICSD 427896 P2_1/c (14) ✔ 22 136 3 4.5299 4.541 0.000 (0;000) ✗ 04/08/17
Cs3LiCl4 ICSD 245969 Cm2m (38) ✗ 8 58 1 4.5309 4.531 0.000 (0;000) ✗ 28/10/16
Ba3(AsO4)2 COD 9016707 R-3m (166) ✔ 13 88 1 4.531 4.737 0.000 (0;000) ✗ 30/01/17
Na2Mg(CO3)2 COD 9009293 R-3 (148) ✔ 11 72 1 4.5324 4.554 0.000 (0;000) ✗ 27/01/17
As(CN)3 COD 2310572 C2 (5) ✗ 14 64 1 4.5336 4.574 0.000 (0;000) ✗ 21/03/17
SiO2 COD 4124048 Fddd (70) ✔ 24 128 3 4.5379 4.538 0.000 (0;000) ✗ 04/08/17
MgGeO3 COD 9003756 R-3 (148) ✔ 10 64 3 4.5416 4.571 0.000 (0;000) ✗ 27/01/17
BaZnF4 ICSD 182608 Pc (7) ✗ 24 200 3 4.5419 4.639 0.000 (0;000) ✗ 04/08/17
SbAsF8 COD 1533113 P2_1/m (11) ✔ 20 132 1 4.5459 4.676 0.000 (0;000) ✗ 30/01/17
Li2CaGeO4 ICSD 19024 I-42m (121) ✗ 8 44 1 4.5502 4.765 0.000 (0;000) ✗ 15/02/17
CaZrSi2O7 COD 9004208 C2 (5) ✗ 11 64 3 4.5504 4.594 0.000 (0;000) ✗ 15/02/17
Na3H5(CO2)4 ICSD 109935 P-1 (2) ✔ 20 96 1 4.5508 4.603 0.000 (0;000) ✗ 02/02/17
Si3CCl8 ICSD 73125 P-1 (2) ✔ 24 144 3 4.5556 4.605 0.000 (0;000) ✗ 04/08/17
RbC2N3 ICSD 411934 Pbcm (57) ✔ 24 128 1 4.5564 4.557 0.000 (0;000) ✗ 04/08/17
Sr2Sc2B4O11 ICSD 86435 P-1 (2) ✔ 19 120 3 4.5568 4.606 0.000 (0;000) ✗ 02/02/17
Li4CO4 ICSD 245393 C2 (5) ✗ 9 40 2 4.5571 4.885 0.000 (0;000) ✗ 06/10/16
GaPO4 ICSD 97550 C222_1 (20) ✗ 12 84 3 4.5581 4.558 0.000 (0;000) ✗ 06/10/16
BePbF4 COD 5910280 Pnma (62) ✔ 24 184 3 4.5631 4.701 0.000 (0;000) ✗ 04/08/17
Ca2SiO4 ICSD 40657 I4/mmm (139) ✔ 7 48 2 4.5637 5.235 0.000 (0;000) ✗ 27/01/17
KSO2F ICSD 93058 P2_1/m (11) ✔ 10 68 1 4.566 4.574 0.000 (0;000) ✗ 27/01/17
ScOF ICSD 100564 P2_1/c (14) ✔ 12 96 3 4.571 4.696 0.000 (0;000) ✗ 27/01/17
CaCO3 ICSD 83607 C2 (5) ✗ 15 96 1 4.5726 4.806 0.000 (0;000) ✗ 15/02/17
CsC2N5 COD 4320904 C2/c (15) ✔ 16 84 1 4.5738 4.606 0.000 (0;000) ✗ 02/02/17
ZnH2SO5 COD 9009373 C2/c (15) ✔ 18 100 3 4.5755 4.576 0.000 (0;000) ✗ 27/01/17
NaCaSiHO4 ICSD 97911 P2_1 (4) ✗ 16 96 2 4.5756 4.578 0.000 (0;000) ✗ 15/02/17
CaMgAsO4F ICSD 56862 C2/c (15) ✔ 16 112 3 4.5763 4.576 0.000 (0;000) ✗ 05/01/17
SiO2 COD 9006303 P1 (1) ✗ 12 64 3 4.5774 4.577 0.000 (0;000) ✗ 15/02/17
Li6MgBr8 ICSD 73275 Fm-3m (225) ✔ 15 84 2 4.5805 4.581 0.000 (0;000) ✗ 02/02/17
SrH4O3 ICSD 15366 Pmc2_1 (26) ✗ 16 64 1 4.5819 4.590 0.000 (0;000) ✗ 15/02/17
MgSeO4 ICSD 109068 Pnma (62) ✔ 24 160 3 4.585 4.603 0.000 (0;000) ✗ 04/08/17
HC2F COD 4116822 C2/c (15) ✔ 24 96 1 4.5863 4.606 0.000 (0;000) ✗ 04/08/17
BaMoO4 COD 2300459 I4_1/a (88) ✔ 12 96 1 4.5904 4.590 0.000 (0;000) ✗ 02/02/17
LiH2N ICSD 237215 Pnma (62) ✔ 16 40 3 4.5918 5.473 0.000 (0;000) ✗ 27/01/17
RbHCO2 ICSD 172203 Pbcm (57) ✔ 20 104 1 4.5929 4.593 0.000 (0;000) ✗ 02/02/17
Al2O3 ICSD 82504 C2/m (12) ✔ 10 48 3 4.5944 4.693 0.000 (0;000) ✗ 06/10/16
RbPO3 ICSD 70035 Cmcm (63) ✔ 10 64 1 4.5945 4.595 0.000 (0;000) ✗ 27/01/17
CsH3O2 COD 2012559 I4_1/amd (141) ✔ 12 48 3 4.5945 4.737 0.000 (0;000) ✗ 22/03/17
KGaCl4 COD 2201772 P2_1/c (14) ✔ 24 200 1 4.597 4.597 0.000 (0;000) ✗ 04/08/17
Al2O3 COD 1200005 C2/m (12) ✔ 10 48 3 4.5991 4.699 0.000 (0;000) ✗ 05/01/17
ZrPbF6 ICSD 4051 Cmme (67) ✔ 16 120 3 4.6036 4.647 0.000 (0;000) ✗ 02/02/17
Ca(C2N3)2 ICSD 411362 C2/c (15) ✔ 22 112 1 4.6058 4.612 0.000 (0;000) ✗ 04/08/17
LiAl(SiO3)2 COD 9003102 P1 (1) ✗ 20 100 3 4.6075 4.626 0.000 (0;000) ✗ 16/03/17
Mg3Si2H4O9 COD 9001639 P31m (157) ✗ 18 96 2 4.6081 4.611 0.000 (0;000) ✗ 15/02/17
NaGa(SiO3)2 COD 2004306 C2/c (15) ✔ 20 132 3 4.6082 4.699 0.000 (0;000) ✗ 02/02/17
Li4TiO4 ICSD 75164 Cmcm (63) ✔ 18 96 1 4.6086 4.673 0.000 (0;000) ✗ 27/01/17
ScAlO3 COD 9005885 Pnma (62) ✔ 20 128 3 4.6104 4.791 0.000 (0;000) ✗ 05/01/17
AlPO4 ICSD 159273 P2/m (10) ✔ 6 32 3 4.6119 4.623 0.000 (0;000) ✗ 05/01/17
BaGe(PO4)2 ICSD 423040 C2/m (12) ✔ 12 72 2 4.6127 4.708 0.000 (0;000) ✗ 05/01/17
SiO2 COD 4124080 Pcca (54) ✔ 24 128 3 4.6146 4.790 0.000 (0;000) ✗ 04/08/17
H5CBrN COD 2227485 C2/m (12) ✔ 16 42 1 4.616 4.657 0.000 (0;000) ✗ 27/01/17
Na5Zr2F13 COD 2310402 C2/m (12) ✔ 20 144 2 4.616 4.616 0.000 (0;000) ✗ 02/02/17
BaBrCl ICSD 35458 Pnma (62) ✔ 12 96 1 4.6167 4.617 0.000 (0;000) ✗ 02/02/17
SrGe(HO2)2 ICSD 30320 I-42d (122) ✗ 16 80 3 4.6209 4.716 0.000 (0;000) ✗ 15/02/17
SiO2 COD 9006304 P1 (1) ✗ 12 64 3 4.624 4.702 0.000 (0;000) ✗ 15/02/17
BaZnF4 ICSD 16925 Ccm2_1 (36) ✗ 12 100 2 4.6253 4.625 0.000 (0;000) ✗ 06/10/16
LiBiF6 COD 1527496 R-3 (148) ✔ 8 60 1 4.6256 4.696 0.000 (0;000) ✗ 05/01/17
AlAsO4 COD 9008404 P3_121 (152) ✗ 18 96 3 4.6284 4.678 0.000 (0;000) ✗ 16/03/17
Na6S2ClO8F COD 1011182 Fm-3m (225) ✔ 18 128 1 4.6318 4.636 0.000 (0;000) ✗ 02/02/17
RbLiMoO4 ICSD 20641 Cc (9) ✗ 14 100 1 4.634 4.651 0.000 (0;000) ✗ 29/03/17
BaHf(PO4)2 ICSD 245690 C2/m (12) ✔ 12 80 2 4.6342 4.701 0.000 (0;000) ✗ 05/01/17
SiO2 COD 4124064 Ccce (68) ✔ 24 128 3 4.6358 4.636 0.000 (0;000) ✗ 04/08/17
LiGaCl4 ICSD 60849 P2_1/c (14) ✔ 24 176 1 4.6362 4.636 0.000 (0;000) ✗ 04/08/17
NaGa(SiO3)2 COD 9010189 C2/c (15) ✔ 20 132 3 4.6378 4.734 0.000 (0;000) ✗ 02/02/17
KTe2F9 ICSD 84364 P-1 (2) ✔ 24 168 1 4.6391 4.676 0.000 (0;000) ✗ 04/08/17
YCl3 COD 1528118 C2/m (12) ✔ 8 64 2 4.6408 4.771 0.000 (0;000) ✗ 02/02/17
Li2H2SeO5 ICSD 413060 P2_1 (4) ✗ 20 88 1 4.6429 4.680 0.000 (0;000) ✗ 28/03/17
H2SeO3 ICSD 31929 P2_12_12_1 (19) ✗ 24 104 1 4.6454 4.832 0.000 (0;000) ✗ 04/08/17
Li7TaO6 ICSD 74950 R3 (146) ✗ 14 70 2 4.6455 4.809 0.000 (0;000) ✗ 15/02/17
KHCO2 ICSD 151294 Cmcm (63) ✔ 10 52 1 4.6463 4.660 0.000 (0;000) ✗ 27/01/17
AsPbF7 ICSD 411788 P-1 (2) ✔ 18 136 2 4.6514 4.679 0.000 (0;000) ✗ 30/01/17
H10C7O5 COD 7218172 P1 (1) ✗ 22 68 1 4.6528 4.703 0.000 (0;000) ✗ 04/08/17
BaZnF4 ICSD 182604 Ccm2_1 (36) ✗ 12 100 2 4.6595 4.660 0.000 (0;000) ✗ 06/10/16
LiC2N3 ICSD 425113 P2/c (13) ✔ 24 104 1 4.6615 4.874 0.000 (0;000) ✗ 04/08/17
Sr(C2N3)2 ICSD 411363 C2/c (15) ✔ 22 112 1 4.6628 4.672 0.000 (0;000) ✗ 04/08/17
KMgCl3 ICSD 27930 Pnma (62) ✔ 20 160 3 4.6633 4.663 0.000 (0;000) ✗ 02/02/17
CsLiMoO4 ICSD 20805 F-43m (216) ✗ 7 50 3 4.6644 4.829 0.000 (0;000) ✗ 15/02/17
PCl3O COD 2106202 Pna2_1 (33) ✗ 20 128 1 4.6695 4.670 0.000 (0;000) ✗ 22/03/17
BaZnF4 ICSD 182609 Ccm2_1 (36) ✗ 12 100 2 4.6699 4.690 0.000 (0;000) ✗ 06/10/16
CsLi2(HO)3 ICSD 65150 P2_1/m (11) ✔ 18 72 1 4.6702 4.670 0.000 (0;000) ✗ 02/02/17
Sr3(BO3)2 COD 1100067 R-3c (167) ✔ 22 144 1 4.6712 4.688 0.000 (0;000) ✗ 04/08/17
MgCl2 ICSD 51245 P-4m2 (115) ✗ 3 24 2 4.679 5.054 0.000 (0;000) ✗ 06/10/16
KPH2SO3 ICSD 75217 Cm (8) ✗ 8 40 1 4.6809 4.776 0.000 (0;000) ✗ 15/02/17
BaZnCl4 ICSD 411952 Pbcn (60) ✔ 24 200 1 4.6825 4.683 0.000 (0;000) ✗ 04/08/17
BaZnF4 ICSD 402925 Ccm2_1 (36) ✗ 12 100 2 4.6827 4.712 0.000 (0;000) ✗ 06/10/16
CN2 ICSD 247676 P-42_1m (113) ✗ 6 28 2 4.6848 4.993 0.000 (0;000) ✗ 06/10/16
CsC2N3 ICSD 249791 C2/c (15) ✔ 24 128 1 4.6862 4.686 0.000 (0;000) ✗ 04/08/17
KCN ICSD 27351 Cm (8) ✗ 3 18 1 4.6894 5.539 0.000 (0;000) ✗ 06/10/16
KSb4F13 ICSD 4049 I-4 (82) ✗ 18 120 2 4.6916 4.904 0.000 (0;000) ✗ 22/03/17
BaZnCl4 ICSD 410194 Pnna (52) ✔ 24 200 1 4.6929 4.693 0.000 (0;000) ✗ 04/08/17
NaB3H8 ICSD 260964 Pmmn (59) ✔ 24 52 1 4.6954 4.695 0.000 (0;000) ✗ 04/08/17
SiO2 COD 4124066 I4_122 (98) ✗ 24 128 3 4.6966 4.697 0.000 (0;000) ✗ 04/08/17
BaBrF COD 9011174 P4/nmm (129) ✔ 6 48 1 4.6989 4.699 0.000 (0;000) ✗ 05/01/17
KNaNbOF5 ICSD 423274 P4/nmm (129) ✔ 18 144 1 4.7016 4.709 0.000 (0;000) ✗ 02/02/17
BaZnF4 ICSD 182606 Ccm2_1 (36) ✗ 12 100 2 4.704 4.735 0.000 (0;000) ✗ 06/10/16
Li4CO4 ICSD 245388 P-43m (215) ✗ 9 40 1 4.7041 5.033 0.000 (0;000) ✗ 06/10/16
Li2H2SeO5 COD 2201760 P2_1 (4) ✗ 20 88 1 4.7043 4.704 0.000 (0;000) ✗ 28/03/17
NaI(OF)2 COD 2016692 Cmcm (63) ✔ 12 84 1 4.7043 4.786 0.000 (0;000) ✗ 22/03/17
CsHIF7 ICSD 71581 P-1 (2) ✔ 20 132 1 4.706 4.783 0.000 (0;000) ✗ 02/02/17
KAlSiO4 COD 9001818 P31c (159) ✗ 14 80 3 4.7088 4.709 0.000 (0;000) ✗ 16/03/17
KClO3 ICSD 188311 R3m (160) ✗ 5 34 1 4.7094 4.710 0.000 (0;000) ✗ 06/10/16
BaZnF4 ICSD 182605 Ccm2_1 (36) ✗ 12 100 2 4.7095 4.712 0.000 (0;000) ✗ 06/10/16
NaAlCl4 COD 1004043 P2_12_12_1 (19) ✗ 24 160 1 4.7141 4.714 0.000 (0;000) ✗ 04/08/17
BaZnF4 ICSD 402926 Ccm2_1 (36) ✗ 12 100 2 4.7142 4.744 0.000 (0;000) ✗ 06/10/16
Cs3Mg2Cl7 ICSD 66828 I4/mmm (139) ✔ 12 96 3 4.7144 4.868 0.000 (0;000) ✗ 22/03/17
RbSO2F ICSD 89603 P2_1/m (11) ✔ 10 68 1 4.7165 4.722 0.000 (0;000) ✗ 27/01/17
KAlSiO4 COD 9002252 P6_3 (173) ✗ 14 80 3 4.7175 4.777 0.000 (0;000) ✗ 16/03/17
CsReO4 ICSD 74505 Pnma (62) ✔ 24 192 1 4.7175 4.738 0.000 (0;000) ✗ 04/08/17
SeF4 ICSD 85451 P2_12_12_1 (19) ✗ 20 136 1 4.7305 4.799 0.000 (0;000) ✗ 22/03/17
H4CN COD 2100665 P2_1/c (14) ✔ 24 52 1 4.7319 4.878 0.000 (0;000) ✗ 04/08/17
BAsO4 ICSD 413436 P3_121 (152) ✗ 18 96 3 4.7353 4.824 0.000 (0;000) ✗ 15/02/17
LiGa(SiO3)2 COD 2009646 C2/c (15) ✔ 20 120 3 4.7365 4.872 0.000 (0;000) ✗ 02/02/17
P4N6O ICSD 79420 Pnnm (58) ✔ 22 112 3 4.74 4.924 0.000 (0;000) ✗ 04/08/17
LiGa(SiO3)2 COD 9013865 C2/c (15) ✔ 20 120 3 4.7408 4.877 0.000 (0;000) ✗ 02/02/17
Zn COD 4030923 P-1 (2) ✔ 1 12 1 4.7443 4.746 0.000 (0;000) ✗ 02/02/17
NaPN2 ICSD 411818 I-42d (122) ✗ 8 48 3 4.7455 4.887 0.000 (0;000) ✗ 07/10/16
H2CO2 ICSD 151248 Pna2_1 (33) ✗ 20 72 1 4.7471 4.747 0.000 (0;000) ✗ 15/02/17
Li4CO4 ICSD 245390 I-42m (121) ✗ 9 40 1 4.7493 5.069 0.000 (0;000) ✗ 07/10/16
LiAlO2 COD 1008166 P4_12_12 (92) ✗ 16 72 3 4.7545 4.755 0.000 (0;000) ✗ 15/02/17
Na2MgH4(SO4)2 ICSD 35767 P-1 (2) ✔ 17 92 1 4.7551 4.758 0.000 (0;000) ✗ 27/01/17
C2(OF2)3 ICSD 401780 P-1 (2) ✔ 22 136 1 4.7561 4.795 0.000 (0;000) ✗ 04/08/17
Li3AsO4 ICSD 75927 Pmn2_1 (31) ✗ 16 76 1 4.7571 4.821 0.000 (0;000) ✗ 15/02/17
LiBr COD 9008664 Fm-3m (225) ✔ 2 10 1 4.7584 4.758 0.000 (0;000) ✗ 27/01/17
H2O2 COD 9014214 P4_12_12 (92) ✗ 16 56 1 4.7599 4.772 0.000 (0;000) ✗ 15/02/17
NaHCO2 ICSD 151320 C2/c (15) ✔ 10 52 1 4.7608 4.824 0.000 (0;000) ✗ 27/01/17
K2SbF5 ICSD 39630 Cmcm (63) ✔ 16 116 1 4.7652 4.832 0.000 (0;000) ✗ 02/02/17
HC2F COD 2223886 C2/c (15) ✔ 24 96 1 4.7694 4.810 0.000 (0;000) ✗ 04/08/17
Rb3Na(MoO4)2 ICSD 191958 P-3m1 (164) ✔ 14 112 1 4.7708 4.771 0.000 (0;000) ✗ 02/02/17
NaCl COD 9006385 Fm-3m (225) ✔ 2 16 1 4.7748 4.775 0.000 (0;000) ✗ 27/01/17
YF3 COD 1011296 Pm-3m (221) ✔ 12 96 3 4.7827 4.951 0.000 (0;000) ✗ 27/01/17
KPO3 ICSD 26148 Pnma (62) ✔ 20 128 1 4.7829 4.783 0.000 (0;000) ✗ 02/02/17
CsGaCl4 COD 7221990 Pnma (62) ✔ 24 200 1 4.7858 4.786 0.000 (0;000) ✗ 04/08/17
CsReO4 ICSD 72817 I4_1/amd (141) ✔ 12 96 1 4.7877 4.788 0.000 (0;000) ✗ 02/02/17
BaSiO3 ICSD 6245 P2_12_12_1 (19) ✗ 20 128 1 4.7894 4.910 0.000 (0;000) ✗ 21/03/17
Sr2Mg(BO3)2 COD 2215221 C2/m (12) ✔ 11 72 1 4.7924 4.792 0.000 (0;000) ✗ 05/01/17
H5C4N3 COD 2015716 P2_1 (4) ✗ 24 72 1 4.7935 4.813 0.000 (0;000) ✗ 04/08/17
RbGaCl4 COD 8100813 Pnma (62) ✔ 24 200 1 4.7981 4.798 0.000 (0;000) ✗ 04/08/17
H5SeNO3 COD 2208335 P-1 (2) ✔ 20 68 1 4.7987 4.863 0.000 (0;000) ✗ 27/01/17
HC ICSD 187642 I2_13 (199) ✗ 8 20 3 4.8022 6.465 0.000 (0;000) ✗ 06/10/16
CSO ICSD 33540 R3m (160) ✗ 3 16 1 4.804 4.970 0.000 (0;000) ✗ 06/10/16
BaCa(CO3)2 COD 9013465 P2_1/m (11) ✔ 20 128 1 4.8058 4.848 0.000 (0;000) ✗ 02/02/17
SnH8(NF3)2 ICSD 409509 P-3m1 (164) ✔ 17 74 1 4.8135 4.814 0.000 (0;000) ✗ 27/01/17
KC2N3 ICSD 411930 Pbcm (57) ✔ 24 128 1 4.8139 4.859 0.000 (0;000) ✗ 04/08/17
HCCl3 COD 7211802 Pnma (62) ✔ 20 104 1 4.814 4.817 0.000 (0;000) ✗ 02/02/17
MgHOF ICSD 186501 Pnma (62) ✔ 16 96 3 4.8158 4.816 0.000 (0;000) ✗ 27/01/17
NaBrO3 COD 2106225 P2_13 (198) ✗ 20 136 1 4.8193 4.821 0.000 (0;000) ✗ 21/03/17
SbH(OF3)2 ICSD 408055 P-1 (2) ✔ 20 120 1 4.8204 0.025 1.000 (0;000) ✗ 02/02/17
LiAl(SiO3)2 COD 9003400 C2/c (15) ✔ 20 100 3 4.833 4.846 0.000 (0;000) ✗ 05/01/17
BaAl2B2O7 ICSD 409171 R32 (155) ✗ 12 64 2 4.8336 4.843 0.000 (0;000) ✗ 15/02/17
RbPO3 ICSD 74738 Pnma (62) ✔ 20 128 1 4.8349 4.835 0.000 (0;000) ✗ 02/02/17
BaAl2(SiO4)2 ICSD 191252 P-3 (147) ✔ 13 72 2 4.838 4.951 0.000 (0;000) ✗ 05/01/17
GaPO4 COD 1518035 P3_121 (152) ✗ 18 126 3 4.8416 4.939 0.000 (0;000) ✗ 22/03/17
CsAlO2 ICSD 28372 Fd-3m (227) ✔ 8 48 3 4.8428 4.850 0.000 (0;000) ✗ 05/01/17
BaTiF6 ICSD 33789 R-3m (166) ✔ 8 64 1 4.8484 4.971 0.000 (0;000) ✗ 05/01/17
SrCaB5H2ClO10 ICSD 91540 P1 (1) ✗ 20 104 3 4.8485 5.036 0.000 (0;000) ✗ 21/03/17
Be(H3C)2 COD 5900008 Ibam (72) ✔ 18 36 1 4.8496 4.850 0.000 (0;000) ✗ 27/01/17
Na6S2ClO8F ICSD 52291 Fm-3m (225) ✔ 18 128 1 4.8534 4.856 0.000 (0;000) ✗ 02/02/17
PHPb2F10 ICSD 419142 P-1 (2) ✔ 14 104 2 4.8537 5.026 0.000 (0;000) ✗ 27/01/17
RbBiF6 COD 1527498 R-3 (148) ✔ 8 66 1 4.8559 4.856 0.000 (0;000) ✗ 05/01/17
GaPO4 ICSD 155445 C222_1 (20) ✗ 12 84 3 4.8585 4.859 0.000 (0;000) ✗ 06/10/16
Na2MgCl4 ICSD 69343 Pbam (55) ✔ 14 112 1 4.8587 4.859 0.000 (0;000) ✗ 02/02/17
K2Be2PbF8 ICSD 9902 R-3m (166) ✔ 13 96 1 4.8662 4.960 0.000 (0;000) ✗ 05/01/17
ZrTlCdF7 ICSD 245784 Cmcm (63) ✔ 20 156 3 4.8717 4.872 0.000 (0;000) ✗ 02/02/17
H2CN4 COD 2006099 P1 (1) ✗ 7 26 1 4.8806 5.045 0.000 (0;000) ✗ 15/02/17
NaClO3 COD 1001127 P2_1/c (14) ✔ 20 136 1 4.8842 4.976 0.000 (0;000) ✗ 02/02/17
Sr4Zn3F14 COD 4030525 Cm (8) ✗ 21 174 2 4.8861 4.909 0.000 (0;000) ✗ 04/08/17
KTeHOF4 ICSD 155199 P2_1 (4) ✗ 16 100 1 4.8867 5.105 0.000 (0;000) ✗ 22/03/17
Mn3Bi ICSD 58808 R-3m (166) ✔ 16 200 3 4.8879 0.002 1.000 (0;000) ✗ 06/10/16
SrWO4 ICSD 184047 I4_1/a (88) ✔ 12 124 1 4.8903 4.890 0.000 (0;000) ✗ 11/04/17
CsSO2F ICSD 93076 Pnma (62) ✔ 20 136 1 4.8904 4.899 0.000 (0;000) ✗ 02/02/17
NbSbF10 COD 4031238 P-1 (2) ✔ 24 176 1 4.8912 4.896 0.000 (0;000) ✗ 04/08/17
Ba2Mg(BO3)2 ICSD 75986 R-3m (166) ✔ 11 72 1 4.8916 4.892 0.000 (0;000) ✗ 05/01/17
BaCl2 COD 1527182 Pnma (62) ✔ 12 96 1 4.8999 4.900 0.000 (0;000) ✗ 02/02/17
YOF COD 2106385 R-3m (166) ✔ 6 48 3 4.9065 4.907 0.000 (0;000) ✗ 27/01/17
Cs2LiYCl6 ICSD 65731 Fm-3m (225) ✔ 10 74 2 4.9066 4.907 0.000 (0;000) ✗ 02/02/17
Li5AlO4 COD 1528092 Pmmn (59) ✔ 20 84 1 4.9075 4.995 0.000 (0;000) ✗ 05/01/17
H3C2O COD 2005623 Fdd2 (43) ✗ 24 68 2 4.9086 5.077 0.000 (0;000) ✗ 04/08/17
TaPbF7 ICSD 417253 P2_1/m (11) ✔ 18 152 3 4.9128 5.256 0.000 (0;000) ✗ 02/02/17
CsCl COD 9008620 Fm-3m (225) ✔ 2 16 1 4.9154 4.979 0.000 (0;000) ✗ 27/01/17
K2MgCl4 ICSD 4035 I4/mmm (139) ✔ 7 56 2 4.9192 5.142 0.000 (0;000) ✗ 27/01/17
NaGaH4 ICSD 67309 Cmcm (63) ✔ 12 52 1 4.9199 5.162 0.000 (0;000) ✗ 27/01/17
CaMg3(CO3)4 COD 1000052 R32 (155) ✗ 20 128 3 4.9206 4.930 0.000 (0;000) ✗ 21/03/17
Ba2ZnF6 ICSD 21054 I4/mmm (139) ✔ 9 74 1 4.9269 5.772 0.000 (0;000) ✗ 05/01/17
KZnB(H2Cl)2 ICSD 174294 P2_1/m (11) ✔ 18 84 1 4.9323 4.932 0.000 (0;000) ✗ 02/02/17
K(BH)3 ICSD 65507 Fm-3m (225) ✔ 14 42 2 4.9336 4.934 0.000 (0;000) ✗ 05/01/17
Si2N2O ICSD 98639 Cmc2_1 (36) ✗ 10 48 3 4.9363 4.936 0.000 (0;000) ✗ 06/10/16
NaClO4 COD 2209646 Pnma (62) ✔ 24 160 1 4.9383 4.968 0.000 (0;000) ✗ 04/08/17
K2ZrF6 COD 2310345 Cmcm (63) ✔ 18 128 1 4.9409 4.977 0.000 (0;000) ✗ 02/02/17
Na2BeB2O5 COD 2214424 C2/c (15) ✔ 20 116 1 4.9414 4.981 0.000 (0;000) ✗ 02/02/17
KLi2(HO)3 ICSD 65148 P2_1/m (11) ✔ 18 72 1 4.944 4.953 0.000 (0;000) ✗ 27/01/17
KCN ICSD 27350 Cm (8) ✗ 3 18 1 4.9473 5.716 0.000 (0;000) ✗ 06/10/16
NaAlO2 ICSD 22216 R-3m (166) ✔ 4 24 2 4.9533 5.037 0.000 (0;000) ✗ 05/01/17
Li4SiO4 COD 1532523 P-1 (2) ✔ 18 80 1 4.9579 5.193 0.000 (0;000) ✗ 27/01/17
LiSi2N3 ICSD 34118 Ccm2_1 (36) ✗ 12 52 3 4.9582 5.231 0.000 (0;000) ✗ 06/10/16
SrSiO3 ICSD 248973 Pm-3m (221) ✔ 5 32 3 4.9596 5.574 0.000 (0;000) ✗ 27/01/17
RbMgCl3 ICSD 4036 P6_3/mmc (194) ✔ 20 160 3 4.9623 4.962 0.000 (0;000) ✗ 02/02/17
Na2Si3O7 COD 9006345 C2/c (15) ✔ 24 144 3 4.9635 4.964 0.000 (0;000) ✗ 04/08/17
Y2Si2O7 COD 2013549 C2/m (12) ✔ 11 72 3 4.9676 4.968 0.000 (0;000) ✗ 27/01/17
CBrN ICSD 31694 Pmmn (59) ✔ 6 32 1 4.971 5.037 0.000 (0;000) ✗ 27/01/17
AsPO4 COD 9009805 Pnma (62) ✔ 24 136 3 4.9731 5.116 0.000 (0;000) ✗ 04/08/17
KAlH2CO5 ICSD 153303 Cmcm (63) ✔ 20 96 2 4.9809 4.988 0.000 (0;000) ✗ 02/02/17
Li2O COD 1514092 Fm-3m (225) ✔ 3 12 1 4.981 5.252 0.000 (0;000) ✗ 27/01/17
Li2SiO3 ICSD 16626 Ccm2_1 (36) ✗ 12 56 1 4.9814 5.208 0.000 (0;000) ✗ 06/10/16
K2SO3 ICSD 60762 P-3m1 (164) ✔ 12 84 1 4.983 5.165 0.000 (0;000) ✗ 02/02/17
NaH3CN4O ICSD 15874 Pmma (51) ✔ 20 84 1 4.9832 4.985 0.000 (0;000) ✗ 02/02/17
KLiSi2O5 COD 2101610 P2_1 (4) ✗ 18 100 3 4.9846 5.054 0.000 (0;000) ✗ 29/03/17
Sr2LiSiO4F ICSD 79805 P2_1/m (11) ✔ 18 116 1 4.9851 5.080 0.000 (0;000) ✗ 02/02/17
CaCO3 COD 2106394 P2_1/c (14) ✔ 20 128 1 4.9865 5.058 0.000 (0;000) ✗ 02/02/17
SiO2 COD 4124047 P4_2/mcm (132) ✔ 24 128 3 4.9866 4.987 0.000 (0;000) ✗ 04/08/17
Mg(AlCl4)2 ICSD 62046 C2/c (15) ✔ 22 144 2 4.9889 4.995 0.000 (0;000) ✗ 07/08/17
Li2GeF6 ICSD 23406 P4_2/mnm (136) ✔ 18 104 1 4.9968 4.997 0.000 (0;000) ✗ 27/01/17
Li2BeSiO4 COD 9013066 Pc (7) ✗ 16 76 3 4.9988 4.999 0.000 (0;000) ✗ 15/02/17
GeH3Cl ICSD 62109 Cmc2_1 (36) ✗ 10 28 1 4.9989 5.116 0.000 (0;000) ✗ 15/02/17
SrB4O7 COD 1511501 Pmn2_1 (31) ✗ 24 128 3 4.9996 5.180 0.000 (0;000) ✗ 04/08/17
CaMg(SiO3)2 COD 1011057 C2/c (15) ✔ 20 128 3 5.0012 5.001 0.000 (0;000) ✗ 02/02/17
BF2 COD 1510681 P2_1/c (14) ✔ 12 68 1 5.0014 5.057 0.000 (0;000) ✗ 05/01/17
BF2 ICSD 27867 P2_1/c (14) ✔ 12 68 1 5.0014 5.057 0.000 (0;000) ✗ 06/10/16
Ca3(BO3)2 COD 9009270 R-3c (167) ✔ 22 144 1 5.0031 5.012 0.000 (0;000) ✗ 07/08/17
RbCl COD 8103714 Fm-3m (225) ✔ 2 16 1 5.0035 5.004 0.000 (0;000) ✗ 27/01/17
NaAlH2CO5 ICSD 100140 Imma (74) ✔ 20 96 2 5.0073 5.163 0.000 (0;000) ✗ 27/01/17
MgCO3 ICSD 180346 R-3c (167) ✔ 10 64 3 5.0198 5.730 0.000 (0;000) ✗ 06/10/16
BaHClO ICSD 74721 Pnma (62) ✔ 16 96 1 5.0229 5.024 0.000 (0;000) ✗ 02/02/17
Na2SO4 COD 1010522 Cmcm (63) ✔ 14 96 1 5.0257 5.223 0.000 (0;000) ✗ 27/01/17
TlB(CN)4 COD 4308590 I4_1/a (88) ✔ 20 104 1 5.027 5.031 0.000 (0;000) ✗ 02/02/17
SrHClO ICSD 407719 P6_3mc (186) ✗ 8 48 1 5.0288 5.047 0.000 (0;000) ✗ 15/02/17
BaZnCO3F2 COD 1100122 P6_3/m (176) ✔ 16 116 2 5.0322 5.038 0.000 (0;000) ✗ 02/02/17
Mg(C2N3)2 ICSD 411361 Pnnm (58) ✔ 22 112 3 5.0384 5.038 0.000 (0;000) ✗ 04/08/17
HNF2 ICSD 404200 Pca2_1 (29) ✗ 16 80 1 5.0387 5.072 0.000 (0;000) ✗ 15/02/17
KAlH4 COD 1532616 Pnma (62) ✔ 24 64 1 5.0402 5.300 0.000 (0;000) ✗ 04/08/17
Mg(HO)2 COD 9003876 P-3 (147) ✔ 15 72 2 5.0415 5.042 0.000 (0;000) ✗ 27/01/17
SrBrF ICSD 35392 P4/nmm (129) ✔ 6 48 1 5.0428 5.043 0.000 (0;000) ✗ 27/01/17
CsGaP3HO10 ICSD 409692 C2 (5) ✗ 16 98 3 5.0435 5.116 0.000 (0;000) ✗ 22/03/17
SiO2 ICSD 170510 I4_122 (98) ✗ 12 64 3 5.05 5.050 0.000 (0;000) ✗ 06/10/16
H2CCl2 COD 2100015 Pbcn (60) ✔ 20 80 1 5.0549 5.126 0.000 (0;000) ✗ 02/02/17
Y2Si2O7 ICSD 164147 P2_1/c (14) ✔ 22 144 3 5.0552 5.102 0.000 (0;000) ✗ 04/08/17
ZnSO4 ICSD 2456 F-43m (216) ✗ 6 42 3 5.0558 5.367 0.000 (0;000) ✗ 06/10/16
BaSr2Mg(SiO4)2 ICSD 247861 P-3m1 (164) ✔ 14 96 3 5.056 5.149 0.000 (0;000) ✗ 05/01/17
GaHCl2 COD 4318449 C2/c (15) ✔ 16 112 1 5.062 5.206 0.000 (0;000) ✗ 02/02/17
KNaSO4 COD 9007638 P3m1 (156) ✗ 14 96 1 5.0638 5.136 0.000 (0;000) ✗ 15/02/17
CaCO3 ICSD 180348 R-3c (167) ✔ 10 64 2 5.0647 5.184 0.000 (0;000) ✗ 06/10/16
GaPO4 ICSD 155446 C222_1 (20) ✗ 12 84 3 5.0653 5.065 0.000 (0;000) ✗ 06/10/16
Na3MgP2HO8 COD 2004175 P-1 (2) ✔ 15 96 3 5.0699 5.070 0.000 (0;000) ✗ 27/01/17
BeSiN2 ICSD 25704 Pna2_1 (33) ✗ 16 72 3 5.07 5.226 0.000 (0;000) ✗ 15/02/17
CaMg(SiO3)2 COD 9000335 C2/c (15) ✔ 20 128 3 5.073 5.073 0.000 (0;000) ✗ 02/02/17
SiO2 COD 9006297 P1 (1) ✗ 12 64 3 5.0781 5.078 0.000 (0;000) ✗ 15/02/17
Zn(PO3)2 COD 1007095 C2/c (15) ✔ 18 116 3 5.08 5.119 0.000 (0;000) ✗ 02/02/17
Mg2SiO4 COD 9001573 Fd-3m (227) ✔ 14 96 3 5.08 5.081 0.000 (0;000) ✗ 27/01/17
SbP(OF3)2 ICSD 51535 P-1 (2) ✔ 20 128 1 5.0835 5.086 0.000 (0;000) ✗ 02/02/17
P4PtF12 ICSD 418726 I-43m (217) ✗ 17 114 1 5.0854 5.098 0.000 (0;000) ✗ 22/03/17
HCCl2 COD 7106717 P2_1/c (14) ✔ 16 76 1 5.0857 5.162 0.000 (0;000) ✗ 02/02/17
CaSiO3 ICSD 240411 Pm-3m (221) ✔ 5 32 3 5.0875 6.198 0.000 (0;000) ✗ 27/01/17
ZnPt(CN)6 COD 4100933 Fm-3m (225) ✔ 14 76 3 5.0929 5.194 0.000 (0;000) ✗ 02/02/17
LiSc(SiO3)2 COD 9008451 C2/c (15) ✔ 20 116 3 5.094 5.223 0.000 (0;000) ✗ 02/02/17
CO ICSD 40937 R3c (161) ✗ 16 80 1 5.0941 5.145 0.000 (0;000) ✗ 22/03/17
Cs2NaYCl6 ICSD 245354 Fm-3m (225) ✔ 10 80 2 5.0966 5.097 0.000 (0;000) ✗ 02/02/17
LiGeBO4 ICSD 67535 I-4 (82) ✗ 7 34 3 5.1036 5.475 0.000 (0;000) ✗ 15/02/17
Si2N2O ICSD 100776 Cmc2_1 (36) ✗ 10 48 3 5.1086 5.109 0.000 (0;000) ✗ 06/10/16
CaMg(CO3)2 COD 9001415 R-3 (148) ✔ 10 64 2 5.1156 5.545 0.000 (0;000) ✗ 27/01/17
SrZnF4 COD 1529059 I4_1/a (88) ✔ 12 100 1 5.1177 5.118 0.000 (0;000) ✗ 27/01/17
MgCO3 COD 9001853 R-3c (167) ✔ 10 64 3 5.1187 5.693 0.000 (0;000) ✗ 27/01/17
KCl COD 9003138 Fm-3m (225) ✔ 2 16 1 5.12 5.120 0.000 (0;000) ✗ 27/01/17
NaSc(SiO3)2 COD 9011146 C2/c (15) ✔ 20 128 3 5.1211 5.277 0.000 (0;000) ✗ 02/02/17
SrAl4O7 ICSD 34803 Cmme (67) ✔ 24 128 3 5.1216 5.168 0.000 (0;000) ✗ 04/08/17
CsCl COD 9008789 Pm-3m (221) ✔ 2 16 1 5.122 5.122 0.000 (0;000) ✗ 27/01/17
NaSc(SiO3)2 COD 2009802 C2/c (15) ✔ 20 128 3 5.1238 5.277 0.000 (0;000) ✗ 02/02/17
Zr(BH4)4 COD 1508533 P-43m (215) ✗ 21 32 1 5.126 5.409 0.000 (0;000) ✗ 04/08/17
H5CNO2 ICSD 151222 Pc (7) ✗ 18 52 1 5.1261 5.200 0.000 (0;000) ✗ 15/02/17
KCN ICSD 173942 Cc (9) ✗ 6 36 1 5.131 5.273 0.000 (0;000) ✗ 06/10/16
H4CN2O COD 1008786 P-42_1m (113) ✗ 16 48 1 5.1355 5.136 0.000 (0;000) ✗ 15/02/17
Si2N2O ICSD 66539 Cmc2_1 (36) ✗ 10 48 3 5.1366 5.137 0.000 (0;000) ✗ 06/10/16
MgCO3 ICSD 180347 R-3c (167) ✔ 10 64 3 5.1369 5.732 0.000 (0;000) ✗ 06/10/16
K2TeOF4 ICSD 412955 Cmcm (63) ✔ 16 116 1 5.1391 5.288 0.000 (0;000) ✗ 02/02/17
CaMg(CO3)2 COD 1200014 R-3 (148) ✔ 10 64 2 5.1415 5.552 0.000 (0;000) ✗ 27/01/17
TlAsF6 ICSD 417954 R-3 (148) ✔ 8 60 1 5.1421 5.237 0.000 (0;000) ✗ 05/01/17
Si2N2O ICSD 66540 Cmc2_1 (36) ✗ 10 48 3 5.1431 5.143 0.000 (0;000) ✗ 06/10/16
K3CaP2HO8 ICSD 35344 C2/m (12) ✔ 15 96 1 5.1444 5.144 0.000 (0;000) ✗ 02/02/17
BaNa2Mg(PO4)2 ICSD 424073 P-3m1 (164) ✔ 14 96 2 5.1468 5.169 0.000 (0;000) ✗ 05/01/17
Li2ZrF6 ICSD 155020 C2/c (15) ✔ 18 104 3 5.1502 5.154 0.000 (0;000) ✗ 27/01/17
H4CN2O COD 1008785 P-42_1m (113) ✗ 16 48 1 5.1508 5.151 0.000 (0;000) ✗ 15/02/17
ZnH4(CO)4 COD 7012468 C2 (5) ✗ 13 56 3 5.1539 5.377 0.000 (0;000) ✗ 15/02/17
CaCO3 COD 9000969 R-3c (167) ✔ 10 64 2 5.1595 5.398 0.000 (0;000) ✗ 27/01/17
CaCO3 ICSD 180349 R-3c (167) ✔ 10 64 2 5.1604 5.214 0.000 (0;000) ✗ 06/10/16
LiAlH4 ICSD 22247 P2_1/c (14) ✔ 24 40 1 5.1658 5.345 0.000 (0;000) ✗ 04/08/17
Si2N2O ICSD 98638 Cmc2_1 (36) ✗ 10 48 3 5.1733 5.173 0.000 (0;000) ✗ 06/10/16
LiSi2N3 ICSD 89524 Ccm2_1 (36) ✗ 12 52 3 5.1783 5.661 0.000 (0;000) ✗ 06/10/16
Na3TaF8 COD 2017817 C2/c (15) ✔ 24 192 1 5.1794 5.221 0.000 (0;000) ✗ 04/08/17
PH6NO2 COD 4308329 Cmme (67) ✔ 20 56 1 5.1799 5.180 0.000 (0;000) ✗ 27/01/17
Si2N2O ICSD 168782 Cmc2_1 (36) ✗ 10 48 3 5.1818 5.182 0.000 (0;000) ✗ 06/10/16
Si2N2O ICSD 415575 Cmc2_1 (36) ✗ 10 48 3 5.1828 5.183 0.000 (0;000) ✗ 06/10/16
Si2N2O ICSD 34025 Cmc2_1 (36) ✗ 10 48 3 5.1872 5.187 0.000 (0;000) ✗ 06/10/16
AlN COD 1523095 Fm-3m (225) ✔ 2 8 3 5.1878 6.629 0.000 (0;000) ✗ 05/01/17
Ca(BH4)2 ICSD 166671 P4_2/m (84) ✔ 22 48 1 5.1908 5.191 0.000 (0;000) ✗ 04/08/17
BAsO4 ICSD 413438 I-4 (82) ✗ 6 32 3 5.1922 5.671 0.000 (0;000) ✗ 06/10/16
CaCO3 ICSD 161820 C222_1 (20) ✗ 10 64 3 5.1926 5.193 0.000 (0;000) ✗ 06/10/16
Li2SiO3 ICSD 28192 Ccm2_1 (36) ✗ 12 56 2 5.2008 5.421 0.000 (0;000) ✗ 06/10/16
Si2N2O ICSD 202830 Cmc2_1 (36) ✗ 10 48 3 5.2062 5.206 0.000 (0;000) ✗ 06/10/16
Si2N2O ICSD 100775 Cmc2_1 (36) ✗ 10 48 3 5.2072 5.207 0.000 (0;000) ✗ 06/10/16
Ca2B5H2ClO10 COD 2009683 P1 (1) ✗ 20 104 3 5.2078 5.348 0.000 (0;000) ✗ 21/03/17
H5C2NO2 COD 2201044 P2_1 (4) ✗ 20 60 1 5.21 5.309 0.000 (0;000) ✗ 15/02/17
K2TiF6 COD 2010891 P-3m1 (164) ✔ 9 72 1 5.2113 5.221 0.000 (0;000) ✗ 27/01/17
RbCS(OF)3 ICSD 415817 P2_1 (4) ✗ 18 116 1 5.2115 5.219 0.000 (0;000) ✗ 22/03/17
Cs3GeF7 COD 1529575 P4/mbm (127) ✔ 22 160 1 5.2136 5.214 0.000 (0;000) ✗ 07/08/17
NaPH3NO3 ICSD 16608 P6_3 (173) ✗ 18 80 1 5.2274 5.227 0.000 (0;000) ✗ 15/02/17
TiH8(NF3)2 ICSD 24834 P-3m1 (164) ✔ 17 72 1 5.2286 5.235 0.000 (0;000) ✗ 27/01/17
BaGaBO3F2 ICSD 91315 P6_3/m (176) ✔ 16 116 2 5.2302 5.579 0.000 (0;000) ✗ 02/02/17
BN ICSD 41486 P6_3mc (186) ✗ 4 16 3 5.2311 8.408 0.000 (0;000) ✗ 06/10/16
Cs2TeOF4 ICSD 411626 Cmcm (63) ✔ 16 116 1 5.2321 5.241 0.000 (0;000) ✗ 02/02/17
K3B6BrO10 COD 7205749 R3m (160) ✗ 20 112 3 5.2393 5.245 0.000 (0;000) ✗ 21/03/17
CF2 ICSD 151184 P-1 (2) ✔ 18 108 1 5.2396 5.308 0.000 (0;000) ✗ 02/02/17
RbLiCl2 ICSD 36216 Cmcm (63) ✔ 8 52 1 5.2413 5.241 0.000 (0;000) ✗ 02/02/17
AlCl3 ICSD 39566 C2/m (12) ✔ 8 48 2 5.243 5.321 0.000 (0;000) ✗ 05/01/17
BaCa2Mg(SiO4)2 ICSD 422406 P-3 (147) ✔ 14 96 3 5.2458 5.351 0.000 (0;000) ✗ 05/01/17
SiP2O7 ICSD 75116 P6_3 (173) ✗ 20 112 3 5.2461 5.246 0.000 (0;000) ✗ 29/03/17
GaF3 COD 8100893 R-3c (167) ✔ 8 68 3 5.2468 5.247 0.000 (0;000) ✗ 27/01/17
CaAl2O4 COD 1528679 P2_1/m (11) ✔ 14 80 2 5.2476 5.251 0.000 (0;000) ✗ 05/01/17
CN COD 2310460 Pbca (61) ✔ 16 72 1 5.2499 5.250 0.000 (0;000) ✗ 02/02/17
NaCN ICSD 77172 Pmmn (59) ✔ 6 36 1 5.2505 5.437 0.000 (0;000) ✗ 27/01/17
YSnF7 COD 4030438 P2_1 (4) ✗ 18 148 3 5.2529 5.253 0.000 (0;000) ✗ 22/03/17
Cs2Al2P2O9 ICSD 280275 P-1 (2) ✔ 15 88 2 5.2554 5.386 0.000 (0;000) ✗ 30/01/17
Si2N2O ICSD 200244 Cmc2_1 (36) ✗ 10 48 3 5.2584 5.258 0.000 (0;000) ✗ 06/10/16
H2CN2 COD 2008559 Cc (9) ✗ 20 64 1 5.2613 5.262 0.000 (0;000) ✗ 22/03/17
Ba3(PO4)2 COD 8103717 R-3m (166) ✔ 13 88 1 5.2617 5.291 0.000 (0;000) ✗ 05/01/17
Na3YCl6 COD 9007973 P2_1/c (14) ✔ 20 160 1 5.2619 5.281 0.000 (0;000) ✗ 02/02/17
Si2N2O ICSD 202831 Cmc2_1 (36) ✗ 10 48 3 5.2688 5.269 0.000 (0;000) ✗ 06/10/16
Ca(BH4)2 ICSD 163263 I-42d (122) ✗ 22 48 1 5.277 5.461 0.000 (0;000) ✗ 04/08/17
ZrF4 COD 2019609 P2_1/c (14) ✔ 20 128 3 5.2782 5.321 0.000 (0;000) ✗ 02/02/17
K2Mg2Si2O7 ICSD 185362 P-31m (162) ✔ 13 88 3 5.2818 5.307 0.000 (0;000) ✗ 27/01/17
Li2CO3 COD 2310703 C2/c (15) ✔ 12 56 1 5.282 5.417 0.000 (0;000) ✗ 27/01/17
SrCl2 COD 1010899 Fm-3m (225) ✔ 3 24 1 5.2948 5.509 0.000 (0;000) ✗ 27/01/17
Na2SO4 COD 1011184 Fddd (70) ✔ 14 96 1 5.2961 5.316 0.000 (0;000) ✗ 27/01/17
CsP(HO2)2 ICSD 79609 P2_1/m (11) ✔ 16 80 1 5.2962 5.388 0.000 (0;000) ✗ 02/02/17
Si2N2O ICSD 168781 Cmc2_1 (36) ✗ 10 48 3 5.2974 5.297 0.000 (0;000) ✗ 06/10/16
Si2N2O ICSD 169120 Cmc2_1 (36) ✗ 10 48 3 5.299 5.332 0.000 (0;000) ✗ 06/10/16
Si2N2O ICSD 200246 Cmc2_1 (36) ✗ 10 48 3 5.2994 5.299 0.000 (0;000) ✗ 06/10/16
SiO2 COD 9006296 C2 (5) ✗ 12 64 3 5.3101 5.310 0.000 (0;000) ✗ 15/02/17
Ca4Cl6O ICSD 33883 P6_3mc (186) ✗ 22 176 1 5.3109 5.345 0.000 (0;000) ✗ 07/08/17
CaZnF4 COD 1529060 I4_1/a (88) ✔ 12 100 1 5.3128 5.313 0.000 (0;000) ✗ 27/01/17
Mg2B2O5 COD 2003243 P-1 (2) ✔ 18 112 3 5.3176 5.396 0.000 (0;000) ✗ 05/01/17
CsCS(OF)3 ICSD 415056 P2_1 (4) ✗ 18 116 1 5.319 5.319 0.000 (0;000) ✗ 22/03/17
Si2N2O ICSD 200245 Cmc2_1 (36) ✗ 10 48 3 5.3244 5.324 0.000 (0;000) ✗ 06/10/16
LiP(HO)2 COD 2014097 C2/m (12) ✔ 12 44 1 5.3307 5.483 0.000 (0;000) ✗ 27/01/17
BeBr2 COD 1526850 Ibam (72) ✔ 6 36 1 5.332 5.347 0.000 (0;000) ✗ 05/01/17
Si2N2O ICSD 200247 Cmc2_1 (36) ✗ 10 48 3 5.3458 5.346 0.000 (0;000) ✗ 06/10/16
KP(HO)2 COD 2013920 C2/c (15) ✔ 12 56 1 5.351 5.351 0.000 (0;000) ✗ 27/01/17
NaH3SO5 COD 9012547 Cc (9) ✗ 20 96 1 5.3572 5.366 0.000 (0;000) ✗ 29/03/17
RbClO3 ICSD 36260 R3m (160) ✗ 5 34 1 5.3577 5.830 0.000 (0;000) ✗ 06/10/16
KH4O2F ICSD 165371 Pmc2_1 (26) ✗ 16 64 1 5.3586 5.525 0.000 (0;000) ✗ 15/02/17
MgCl2 COD 9009129 R-3m (166) ✔ 3 24 2 5.3598 5.360 0.000 (0;000) ✗ 27/01/17
KH3C2O3 ICSD 77115 P-1 (2) ✔ 18 76 1 5.372 5.405 0.000 (0;000) ✗ 02/02/17
CsAs4F13 COD 7012392 I-4 (82) ✗ 18 120 1 5.3746 5.560 0.000 (0;000) ✗ 21/03/17
RbBH4 COD 4315654 C222 (21) ✗ 6 16 1 5.3748 5.489 0.000 (0;000) ✗ 15/02/17
BAsO4 ICSD 26891 I-4 (82) ✗ 6 32 3 5.3758 5.789 0.000 (0;000) ✗ 06/10/16
K2HfF6 ICSD 47246 P-62m (189) ✗ 9 72 1 5.3771 5.412 0.000 (0;000) ✗ 06/10/16
Li2SiO3 ICSD 853 Ccm2_1 (36) ✗ 12 56 1 5.3811 5.691 0.000 (0;000) ✗ 06/10/16
Cs2LiIr(CN)6 ICSD 9032 Fm-3m (225) ✔ 16 92 2 5.3821 5.611 0.000 (0;000) ✗ 02/02/17
Li2SiO3 ICSD 100402 Ccm2_1 (36) ✗ 12 56 1 5.3828 5.687 0.000 (0;000) ✗ 06/10/16
CsLiCl2 ICSD 423634 C2/c (15) ✔ 16 104 1 5.3881 5.388 0.000 (0;000) ✗ 02/02/17
Rb2GeF6 ICSD 25662 P6_3mc (186) ✗ 18 128 1 5.3917 5.392 0.000 (0;000) ✗ 22/03/17
KNaMg2Si4(O5F)2 ICSD 98196 C2/m (12) ✔ 20 128 2 5.3922 5.392 0.000 (0;000) ✗ 02/02/17
Si2N2O ICSD 200250 Cmc2_1 (36) ✗ 10 48 3 5.3926 5.393 0.000 (0;000) ✗ 06/10/16
LiSiNO ICSD 34106 Pca2_1 (29) ✗ 16 72 1 5.3934 5.555 0.000 (0;000) ✗ 15/02/17
CaCl2 COD 9009084 Pnnm (58) ✔ 6 48 1 5.3948 5.395 0.000 (0;000) ✗ 27/01/17
RbClO3 ICSD 10283 R3m (160) ✗ 5 34 1 5.3969 5.397 0.000 (0;000) ✗ 06/10/16
BH6N ICSD 237078 Cmc2_1 (36) ✗ 16 28 1 5.397 5.563 0.000 (0;000) ✗ 15/02/17
CsMgCl3 ICSD 54167 P6_3/mmc (194) ✔ 10 80 1 5.3995 5.400 0.000 (0;000) ✗ 02/02/17
Si2N2O ICSD 200248 Cmc2_1 (36) ✗ 10 48 3 5.4012 5.420 0.000 (0;000) ✗ 06/10/16
Mg3(BO3)2 COD 9011448 Pnnm (58) ✔ 22 144 3 5.4059 5.724 0.000 (0;000) ✗ 04/08/17
RbZrCdF7 ICSD 245783 Cmcm (63) ✔ 20 148 3 5.4062 5.487 0.000 (0;000) ✗ 02/02/17
Y2Si2O7 ICSD 416573 P2_1/m (11) ✔ 22 144 3 5.4068 5.506 0.000 (0;000) ✗ 04/08/17
SiO2 COD 9006298 P1 (1) ✗ 12 64 3 5.4069 5.407 0.000 (0;000) ✗ 15/02/17
Si2N2O ICSD 200249 Cmc2_1 (36) ✗ 10 48 3 5.4106 5.413 0.000 (0;000) ✗ 06/10/16
BaClF COD 1530187 P4/nmm (129) ✔ 6 48 1 5.4116 5.412 0.000 (0;000) ✗ 05/01/17
Li6PBrO5 ICSD 421480 F-43m (216) ✗ 13 60 1 5.4171 5.417 0.000 (0;000) ✗ 15/02/17
CaSi2O5 COD 9002042 C2/c (15) ✔ 16 96 3 5.4246 5.508 0.000 (0;000) ✗ 27/01/17
AsF3 ICSD 35132 Pna2_1 (33) ✗ 16 104 1 5.4269 5.517 0.000 (0;000) ✗ 21/03/17
Li2CaSiO4 ICSD 19023 I-42m (121) ✗ 8 44 1 5.4389 5.954 0.000 (0;000) ✗ 15/02/17
CaAlSiO4F ICSD 87663 C2/c (15) ✔ 16 96 3 5.4487 5.449 0.000 (0;000) ✗ 05/01/17
HfSiO4 COD 9000852 I4_1/amd (141) ✔ 12 80 3 5.4533 5.848 0.000 (0;000) ✗ 27/01/17
Sr(AlCl4)2 ICSD 56732 P2/c (13) ✔ 22 144 1 5.4591 5.459 0.000 (0;000) ✗ 04/08/17
TlBF4 COD 8103456 Pnma (62) ✔ 24 176 1 5.4599 5.598 0.000 (0;000) ✗ 04/08/17
RbPO3 COD 2310557 P2_1/c (14) ✔ 20 128 1 5.46 5.460 0.000 (0;000) ✗ 02/02/17
Cs3YF6 COD 1529660 I4/mmm (139) ✔ 10 80 3 5.4624 5.462 0.000 (0;000) ✗ 02/02/17
SiO2 COD 9006301 I2_12_12_1 (24) ✗ 12 64 3 5.4633 5.532 0.000 (0;000) ✗ 15/02/17
Si2N2O ICSD 200251 Cmc2_1 (36) ✗ 10 48 3 5.4656 5.479 0.000 (0;000) ✗ 06/10/16
RbH2OF ICSD 415010 Pnma (62) ✔ 20 96 1 5.4701 5.470 0.000 (0;000) ✗ 02/02/17
Li2Si2O5 COD 2003027 Ccc2 (37) ✗ 18 88 1 5.4712 5.559 0.000 (0;000) ✗ 29/03/17
SiP2O7 ICSD 423437 P2_1/c (14) ✔ 20 112 3 5.4719 5.472 0.000 (0;000) ✗ 27/01/17
CsF COD 9008621 Fm-3m (225) ✔ 2 16 1 5.4775 5.478 0.000 (0;000) ✗ 27/01/17
BeH2 ICSD 161367 Ibam (72) ✔ 18 36 1 5.4829 5.483 0.000 (0;000) ✗ 05/01/17
AlHO2 COD 2211226 Pmn2_1 (31) ✗ 8 32 3 5.4848 5.593 0.000 (0;000) ✗ 15/02/17
RbBH4 COD 4315655 I-42m (121) ✗ 12 32 1 5.4855 5.531 0.000 (0;000) ✗ 15/02/17
KAlCl4 COD 1004038 P2_1 (4) ✗ 24 160 1 5.4874 5.504 0.000 (0;000) ✗ 04/08/17
CdPt(CN)6 COD 4100926 Fm-3m (225) ✔ 14 76 3 5.4883 5.640 0.000 (0;000) ✗ 02/02/17
YAl3(BO3)4 ICSD 91962 R32 (155) ✗ 20 104 3 5.4901 5.616 0.000 (0;000) ✗ 15/02/17
Be(HO)2 COD 9014803 P2_12_12_1 (19) ✗ 20 72 1 5.5045 5.505 0.000 (0;000) ✗ 15/02/17
Mg(BH4)2 ICSD 262083 P4_2nm (102) ✗ 22 48 3 5.5084 5.786 0.000 (0;000) ✗ 04/08/17
AlPO4 ICSD 97546 C222_1 (20) ✗ 12 64 3 5.5105 5.511 0.000 (0;000) ✗ 06/10/16
Li6PClO5 ICSD 421479 F-43m (216) ✗ 13 60 1 5.5125 5.513 0.000 (0;000) ✗ 15/02/17
SiO2 COD 4124044 Cmcm (63) ✔ 24 128 3 5.5125 5.513 0.000 (0;000) ✗ 04/08/17
K3B6ClO10 ICSD 262005 R3m (160) ✗ 20 112 3 5.5212 5.523 0.000 (0;000) ✗ 21/03/17
RbP(HO2)2 ICSD 69317 I-42d (122) ✗ 16 80 3 5.5219 5.567 0.000 (0;000) ✗ 28/03/17
PCl2OF ICSD 416167 P2_1/c (14) ✔ 20 128 1 5.5247 5.615 0.000 (0;000) ✗ 02/02/17
MgCl2 COD 8103685 P-3m1 (164) ✔ 3 24 2 5.5256 5.526 0.000 (0;000) ✗ 27/01/17
Na2SnF6 ICSD 68980 P4_2/mnm (136) ✔ 18 148 1 5.5275 5.528 0.000 (0;000) ✗ 02/02/17
SiO2 COD 4124061 Cmce (64) ✔ 24 128 3 5.5284 5.528 0.000 (0;000) ✗ 04/08/17
C(ClF)2 ICSD 33946 F2dd (43) ✗ 10 64 1 5.5318 5.537 0.000 (0;000) ✗ 06/10/16
K3SO4F ICSD 81835 I4/mcm (140) ✔ 18 128 1 5.5389 5.630 0.000 (0;000) ✗ 02/02/17
BaCl2 COD 9009003 Fm-3m (225) ✔ 3 24 1 5.5411 5.596 0.000 (0;000) ✗ 05/01/17
K3Na(SO4)2 COD 9007639 P-3m1 (164) ✔ 14 96 1 5.5412 5.638 0.000 (0;000) ✗ 02/02/17
CsLi2Cl3 ICSD 423635 Pbcn (60) ✔ 24 144 1 5.5413 5.542 0.000 (0;000) ✗ 04/08/17
Ba(ClO3)2 ICSD 40285 Fdd2 (43) ✗ 18 120 1 5.5421 5.639 0.000 (0;000) ✗ 21/03/17
Sr(ClO3)2 ICSD 61157 Fdd2 (43) ✗ 18 120 1 5.5424 5.670 0.000 (0;000) ✗ 22/03/17
BH6N COD 4116439 Pmn2_1 (31) ✗ 16 28 1 5.5448 5.545 0.000 (0;000) ✗ 15/02/17
LiH2ClO COD 2201759 Cmcm (63) ✔ 20 72 1 5.5527 5.579 0.000 (0;000) ✗ 02/02/17
SiO2 ICSD 75657 C2 (5) ✗ 12 64 3 5.553 5.591 0.000 (0;000) ✗ 06/10/16
SiO2 COD 9002649 Ibam (72) ✔ 18 96 3 5.5541 5.813 0.000 (0;000) ✗ 02/02/17
KP(HO2)2 COD 1010458 I-42d (122) ✗ 16 80 3 5.5574 5.568 0.000 (0;000) ✗ 15/02/17
LiCaGaF6 ICSD 152300 P-31c (163) ✔ 18 136 2 5.5593 5.621 0.000 (0;000) ✗ 02/02/17
KLiSO4 ICSD 36038 P6_3 (173) ✗ 14 84 1 5.5615 5.633 0.000 (0;000) ✗ 15/02/17
KLiSO4 ICSD 62981 P31c (159) ✗ 14 84 1 5.5618 5.562 0.000 (0;000) ✗ 15/02/17
MgH4(ClO)2 COD 2103098 C2/m (12) ✔ 9 40 2 5.5706 5.571 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9009238 P2_1/c (14) ✔ 18 96 3 5.5754 5.575 0.000 (0;000) ✗ 27/01/17
Sr3(PO4)2 COD 8103716 R-3m (166) ✔ 13 88 1 5.5754 5.803 0.000 (0;000) ✗ 27/01/17
KCl COD 1000050 Pm-3m (221) ✔ 2 16 1 5.5772 5.766 0.000 (0;000) ✗ 27/01/17
NaInH8(NF3)2 ICSD 79099 Fm-3m (225) ✔ 18 82 1 5.5786 5.580 0.000 (0;000) ✗ 27/01/17
GaH4NF4 ICSD 410849 I4/mcm (140) ✔ 20 100 2 5.5819 5.673 0.000 (0;000) ✗ 27/01/17
Ba(AlCl4)2 ICSD 56735 P2/c (13) ✔ 22 144 1 5.5847 5.609 0.000 (0;000) ✗ 04/08/17
NaZr2ZnF11 COD 2004079 C2/m (12) ✔ 15 106 3 5.5858 5.611 0.000 (0;000) ✗ 02/02/17
LiAsF6 ICSD 74831 R-3 (148) ✔ 8 50 1 5.5912 5.598 0.000 (0;000) ✗ 05/01/17
Ca3(PO4)2 COD 9005865 R-3m (166) ✔ 13 88 1 5.5912 5.591 0.000 (0;000) ✗ 27/01/17
CaCl2 ICSD 56769 Pbcn (60) ✔ 12 96 1 5.5921 5.702 0.000 (0;000) ✗ 02/02/17
SiO2 COD 9002782 Pbcn (60) ✔ 12 64 3 5.5934 5.593 0.000 (0;000) ✗ 27/01/17
KCN ICSD 27352 Cm (8) ✗ 3 18 1 5.6021 6.193 0.000 (0;000) ✗ 06/10/16
MgAl2O4 COD 9005811 Fd-3m (227) ✔ 14 80 3 5.6027 5.604 0.000 (0;000) ✗ 05/01/17
ZnB2(CN)8 ICSD 415547 P-3m1 (164) ✔ 19 90 3 5.6043 5.632 0.000 (0;000) ✗ 02/02/17
AsF5 ICSD 65477 P6_3/mmc (194) ✔ 12 80 1 5.6073 5.607 0.000 (0;000) ✗ 05/01/17
SiO2 COD 4124053 P-4n2 (118) ✗ 24 128 3 5.6077 5.660 0.000 (0;000) ✗ 04/08/17
Mg(HO)2 COD 9006332 P-3m1 (164) ✔ 5 24 2 5.6084 5.608 0.000 (0;000) ✗ 27/01/17
CaClF COD 9011173 P4/nmm (129) ✔ 6 48 1 5.6094 5.609 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9006290 C222_1 (20) ✗ 12 64 3 5.6102 5.610 0.000 (0;000) ✗ 15/02/17
SiO2 COD 9006295 C2 (5) ✗ 12 64 3 5.6133 5.613 0.000 (0;000) ✗ 15/02/17
KH4F5 COD 1532621 I4_1/a (88) ✔ 20 96 1 5.6134 5.613 0.000 (0;000) ✗ 02/02/17
KClO3 ICSD 26409 P2_1/m (11) ✔ 10 68 1 5.6268 5.635 0.000 (0;000) ✗ 27/01/17
AlPO4 ICSD 279582 P6_3mc (186) ✗ 12 64 3 5.6277 5.628 0.000 (0;000) ✗ 06/10/16
C(ClF)2 ICSD 33947 F2dd (43) ✗ 10 64 1 5.63 5.635 0.000 (0;000) ✗ 06/10/16
SiO2 ICSD 153886 P4_12_12 (92) ✗ 12 64 3 5.6311 5.636 0.000 (0;000) ✗ 06/10/16
AlPO4 ICSD 417475 P2_1 (4) ✗ 12 64 3 5.6317 5.634 0.000 (0;000) ✗ 06/10/16
Hf(BH4)4 ICSD 35379 P-43m (215) ✗ 21 40 1 5.6325 5.633 0.000 (0;000) ✗ 04/08/17
SiO2 ICSD 162612 P6_222 (180) ✗ 9 48 3 5.633 5.840 0.000 (0;000) ✗ 06/10/16
LiBO2 COD 2310701 P2_1/c (14) ✔ 16 72 1 5.6407 5.641 0.000 (0;000) ✗ 27/01/17
SiO2 COD 4124043 P6_3/mmc (194) ✔ 18 96 3 5.6426 5.643 0.000 (0;000) ✗ 02/02/17
Na2S2O7 ICSD 413049 P-1 (2) ✔ 22 144 1 5.6454 5.752 0.000 (0;000) ✗ 04/08/17
NbF5 ICSD 26647 C2/m (12) ✔ 24 192 2 5.6485 5.679 0.000 (0;000) ✗ 04/08/17
YAlO3 COD 1533069 Pnma (62) ✔ 20 128 3 5.6486 5.665 0.000 (0;000) ✗ 30/01/17
NaMgSO4F ICSD 262272 C2/c (15) ✔ 16 112 3 5.6507 5.651 0.000 (0;000) ✗ 27/01/17
CsF ICSD 61563 Pm-3m (221) ✔ 2 16 3 5.6508 5.651 0.000 (0;000) ✗ 27/01/17
H12C5O4 COD 2101361 I-4 (82) ✗ 21 56 1 5.6597 5.684 0.000 (0;000) ✗ 04/08/17
SiO2 COD 9008231 Fd-3m (227) ✔ 6 32 3 5.6616 5.663 0.000 (0;000) ✗ 27/01/17
Ca2MgP2(H2O5)2 ICSD 156224 P-1 (2) ✔ 19 104 2 5.6684 5.802 0.000 (0;000) ✗ 27/01/17
ZnB4O7 COD 1511503 Cmcm (63) ✔ 24 132 3 5.6691 5.869 0.000 (0;000) ✗ 04/08/17
SiO2 COD 5910147 P6_3/mmc (194) ✔ 12 64 3 5.6701 5.670 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9006293 P1 (1) ✗ 12 64 3 5.6723 5.719 0.000 (0;000) ✗ 15/02/17
K2NaInF6 ICSD 22113 Fm-3m (225) ✔ 10 82 1 5.6735 5.701 0.000 (0;000) ✗ 27/01/17
AlPO4 ICSD 417474 P2_1 (4) ✗ 12 64 3 5.6739 5.674 0.000 (0;000) ✗ 06/10/16
SiO2 COD 9006299 Cc (9) ✗ 12 64 3 5.6757 5.787 0.000 (0;000) ✗ 15/02/17
CsAlCl4 COD 1004044 Pnma (62) ✔ 24 160 1 5.6761 5.681 0.000 (0;000) ✗ 04/08/17
AlPO4 ICSD 280772 P2_1 (4) ✗ 12 64 3 5.6811 5.681 0.000 (0;000) ✗ 06/10/16
AlPO4 ICSD 280773 P2_1 (4) ✗ 12 64 3 5.6822 5.682 0.000 (0;000) ✗ 06/10/16
HC COD 2100841 Pa3 (205) ✔ 16 40 1 5.684 5.704 0.000 (0;000) ✗ 02/02/17
SiO2 COD 9006286 Pna2_1 (33) ✗ 12 64 3 5.693 5.821 0.000 (0;000) ✗ 15/02/17
Mg3B(OF)3 COD 9009572 P6_3/m (176) ✔ 20 144 3 5.6931 5.716 0.000 (0;000) ✗ 02/02/17
RbSbF6 ICSD 408071 R-3 (148) ✔ 8 56 1 5.6973 5.697 0.000 (0;000) ✗ 27/01/17
LiSbF6 ICSD 23924 R-3 (148) ✔ 8 50 1 5.6983 5.698 0.000 (0;000) ✗ 27/01/17
NaYPO4F ICSD 51463 C2/m (12) ✔ 16 112 3 5.7036 5.731 0.000 (0;000) ✗ 27/01/17
BaSnF6 ICSD 33788 R-3 (148) ✔ 8 66 1 5.7036 5.704 0.000 (0;000) ✗ 05/01/17
LiAlCl4 COD 1004036 P2_1/c (14) ✔ 24 136 1 5.7046 5.732 0.000 (0;000) ✗ 04/08/17
SiO2 ICSD 183701 I-43m (217) ✗ 18 96 3 5.706 5.711 0.000 (0;000) ✗ 29/03/17
SiO2 ICSD 75651 P4_32_12 (96) ✗ 12 64 3 5.7082 5.708 0.000 (0;000) ✗ 06/10/16
SiO2 ICSD 170513 R3 (146) ✗ 9 48 0 5.7129 5.713 0.000 (0;000) ✗ 06/10/16
RbF COD 9008708 Fm-3m (225) ✔ 2 16 1 5.7132 5.782 0.000 (0;000) ✗ 27/01/17
Cs3Li2F5 ICSD 245964 Fmm2 (42) ✗ 10 68 1 5.7163 5.847 0.000 (0;000) ✗ 28/10/16
SiO2 COD 9006292 C2/c (15) ✔ 12 64 3 5.7175 5.979 0.000 (0;000) ✗ 02/02/17
SiCl4 ICSD 62279 P2_1/c (14) ✔ 20 128 1 5.7206 5.794 0.000 (0;000) ✗ 02/02/17
SiO2 COD 9006289 Ima2 (46) ✗ 12 64 3 5.7343 6.013 0.000 (0;000) ✗ 29/03/17
C(ClF)2 ICSD 33948 F2dd (43) ✗ 10 64 1 5.7375 5.742 0.000 (0;000) ✗ 06/10/16
KHCO3 COD 9010242 P-1 (2) ✔ 12 64 1 5.7378 5.871 0.000 (0;000) ✗ 27/01/17
RbCl COD 1011313 Pm-3m (221) ✔ 2 16 1 5.7453 5.753 0.000 (0;000) ✗ 27/01/17
LiAl(SiO3)2 COD 2003129 C2/c (15) ✔ 20 100 3 5.7526 5.824 0.000 (0;000) ✗ 05/01/17
LiCN COD 9008984 Pnma (62) ✔ 12 48 1 5.7574 5.757 0.000 (0;000) ✗ 02/02/17
SiCl2O COD 7028092 P-1 (2) ✔ 24 144 1 5.7589 5.834 0.000 (0;000) ✗ 04/08/17
AlPO4 ICSD 98383 C222_1 (20) ✗ 12 64 3 5.7651 5.765 0.000 (0;000) ✗ 06/10/16
H4CO COD 4503066 P2_12_12_1 (19) ✗ 24 56 1 5.7653 5.781 0.000 (0;000) ✗ 04/08/17
AlPO4 ICSD 98378 C222_1 (20) ✗ 12 64 3 5.7685 5.769 0.000 (0;000) ✗ 06/10/16
SiO2 ICSD 419757 R-3 (148) ✔ 18 96 3 5.7691 5.908 0.000 (0;000) ✗ 02/02/17
AlPO4 ICSD 98381 C222_1 (20) ✗ 12 64 3 5.7718 5.772 0.000 (0;000) ✗ 06/10/16
AlPO4 ICSD 98379 C222_1 (20) ✗ 12 64 3 5.7722 5.772 0.000 (0;000) ✗ 06/10/16
AlPO4 ICSD 98380 C222_1 (20) ✗ 12 64 3 5.7731 5.773 0.000 (0;000) ✗ 06/10/16
SrTaF7 ICSD 417254 P2_1/m (11) ✔ 18 144 1 5.7736 5.830 0.000 (0;000) ✗ 02/02/17
SiO2 COD 9016225 P2_1/c (14) ✔ 24 128 3 5.7736 5.777 0.000 (0;000) ✗ 04/08/17
SiO2 COD 4124075 P6_522 (179) ✗ 18 96 3 5.7746 5.912 0.000 (0;000) ✗ 29/03/17
CaSO4 COD 9012207 C222 (21) ✗ 18 120 1 5.7747 5.775 0.000 (0;000) ✗ 22/03/17
AlPO4 ICSD 98382 C222_1 (20) ✗ 12 64 3 5.7756 5.776 0.000 (0;000) ✗ 06/10/16
K2S2O7 COD 4306603 C2/c (15) ✔ 22 144 1 5.7762 5.796 0.000 (0;000) ✗ 04/08/17
K2Sr(PO3)4 COD 1007253 I-4 (82) ✗ 19 120 1 5.7815 5.822 0.000 (0;000) ✗ 29/03/17
AlPO4 ICSD 98384 C222_1 (20) ✗ 12 64 3 5.7822 5.782 0.000 (0;000) ✗ 06/10/16
KTl(CN)4 COD 4308988 I4_1/a (88) ✔ 20 116 1 5.7854 5.883 0.000 (0;000) ✗ 02/02/17
CsSbF6 COD 1529843 R-3 (148) ✔ 8 56 1 5.7879 5.788 0.000 (0;000) ✗ 27/01/17
SrSO4 COD 9008106 Pnma (62) ✔ 24 160 1 5.7899 5.868 0.000 (0;000) ✗ 04/08/17
BaF2 ICSD 41651 P6_3/mmc (194) ✔ 6 48 2 5.7976 6.002 0.000 (0;000) ✗ 05/01/17
AlPO4 ICSD 24511 I-4 (82) ✗ 6 32 3 5.7997 5.800 0.000 (0;000) ✗ 06/10/16
MgH2SO5 COD 1100087 C2/c (15) ✔ 18 96 3 5.8055 5.806 0.000 (0;000) ✗ 27/01/17
Li2BeSiO4 ICSD 2319 C222_1 (20) ✗ 16 76 1 5.8062 5.806 0.000 (0;000) ✗ 15/02/17
MgGeO3 COD 9010456 Cmcm (63) ✔ 10 64 3 5.8122 5.858 0.000 (0;000) ✗ 27/01/17
CsSO3 COD 1530294 P6_3mc (186) ✗ 20 132 1 5.8133 5.813 0.000 (0;000) ✗ 22/03/17
TaF5 COD 1528377 C2/m (12) ✔ 24 192 2 5.8166 5.835 0.000 (0;000) ✗ 04/08/17
SiO2 COD 4124077 Pccn (56) ✔ 24 128 3 5.8203 5.820 0.000 (0;000) ✗ 04/08/17
SiO2 ICSD 75654 C2/c (15) ✔ 12 64 3 5.8229 5.859 0.000 (0;000) ✗ 06/10/16
Rb2ZrF6 ICSD 25597 P-3m1 (164) ✔ 9 64 1 5.8234 5.823 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9006291 C2/c (15) ✔ 12 64 3 5.825 5.862 0.000 (0;000) ✗ 27/01/17
HCl COD 9016437 Cmc2_1 (36) ✗ 4 16 1 5.8258 5.826 0.000 (0;000) ✗ 15/02/17
CO2 COD 9015590 P4_12_12 (92) ✗ 12 64 3 5.8337 5.985 0.000 (0;000) ✗ 15/02/17
SiCl2O COD 7028093 P-1 (2) ✔ 16 96 1 5.8349 5.921 0.000 (0;000) ✗ 02/02/17
Rb3SiF7 COD 1531492 P4/mbm (127) ✔ 22 160 1 5.8404 5.840 0.000 (0;000) ✗ 04/08/17
NaAlPO4F ICSD 40522 C2/c (15) ✔ 16 96 3 5.8439 5.844 0.000 (0;000) ✗ 05/01/17
Li2H2SO5 COD 1008190 P2_1 (4) ✗ 20 88 1 5.8538 5.854 0.000 (0;000) ✗ 28/03/17
SO3 COD 9010982 P2_1/c (14) ✔ 16 96 1 5.8568 5.878 0.000 (0;000) ✗ 02/02/17
TcO3F COD 4339756 P2_1/c (14) ✔ 20 160 2 5.8584 0.037 1.000 (0;000) ✗ 02/02/17
Na3AlF6 COD 9012285 Fm-3m (225) ✔ 10 72 1 5.8614 5.861 0.000 (0;000) ✗ 05/01/17
N2 ICSD 40936 R-3c (167) ✔ 16 80 1 5.8672 5.886 0.000 (0;000) ✗ 02/02/17
SrClF COD 9013892 P4/nmm (129) ✔ 6 48 1 5.8674 5.867 0.000 (0;000) ✗ 27/01/17
SiO2 ICSD 413210 Cc (9) ✗ 12 64 3 5.8723 5.872 0.000 (0;000) ✗ 06/10/16
NaSbF6 COD 2101697 Fm-3m (225) ✔ 8 56 1 5.8791 5.879 0.000 (0;000) ✗ 27/01/17
CO2 COD 1517803 P4_2/mnm (136) ✔ 6 32 1 5.8825 6.623 0.000 (0;000) ✗ 27/01/17
P2O5 ICSD 77377 Fdd2 (43) ✗ 14 80 3 5.886 5.886 0.000 (0;000) ✗ 15/02/17
CsHSO4 ICSD 24377 P2_1/m (11) ✔ 14 80 1 5.8881 5.889 0.000 (0;000) ✗ 02/02/17
H4NF COD 2106401 P6_3mc (186) ✗ 12 32 1 5.8885 5.974 0.000 (0;000) ✗ 15/02/17
SiO2 ICSD 75647 I-4 (82) ✗ 12 64 3 5.8931 5.968 0.000 (0;000) ✗ 06/10/16
SiO2 ICSD 162660 I-42d (122) ✗ 6 32 3 5.8944 5.894 0.000 (0;000) ✗ 06/10/16
SiO2 COD 4124078 Fddd (70) ✔ 12 64 3 5.8964 5.896 0.000 (0;000) ✗ 27/01/17
KSc2F7 ICSD 47227 Cmmm (65) ✔ 10 80 3 5.8983 5.906 0.000 (0;000) ✗ 27/01/17
AlPO4 COD 9006415 P6_222 (180) ✗ 18 96 3 5.9031 5.917 0.000 (0;000) ✗ 16/03/17
SiO2 COD 4124063 I-42m (121) ✗ 24 128 3 5.9056 6.114 0.000 (0;000) ✗ 04/08/17
CNCl COD 2310595 Pmmn (59) ✔ 6 32 1 5.9059 6.068 0.000 (0;000) ✗ 27/01/17
Cs2ZrF6 ICSD 25598 P-3m1 (164) ✔ 9 64 1 5.9073 5.910 0.000 (0;000) ✗ 27/01/17
BH3 ICSD 15598 P2_1/c (14) ✔ 16 24 1 5.9279 5.928 0.000 (0;000) ✗ 05/01/17
MgSO4 COD 2300128 Cmcm (63) ✔ 12 80 3 5.931 5.983 0.000 (0;000) ✗ 27/01/17
SiO2 ICSD 93975 P6_422 (181) ✗ 9 48 3 5.9324 6.151 0.000 (0;000) ✗ 06/10/16
NaClO3 COD 1010216 P2_13 (198) ✗ 20 136 1 5.9333 5.938 0.000 (0;000) ✗ 22/03/17
NaAl(SiO3)2 COD 9010377 C2/c (15) ✔ 20 112 3 5.953 5.965 0.000 (0;000) ✗ 05/01/17
AlBO3 COD 9011182 R-3c (167) ✔ 10 48 3 5.9642 6.081 0.000 (0;000) ✗ 05/01/17
YPO4 COD 9001654 I4_1/amd (141) ✔ 12 80 3 5.9664 6.176 0.000 (0;000) ✗ 27/01/17
MgSO4 COD 2214531 Pnma (62) ✔ 24 160 3 5.9674 6.011 0.000 (0;000) ✗ 04/08/17
KBC3N3F ICSD 412871 P-1 (2) ✔ 18 92 1 5.968 6.072 0.000 (0;000) ✗ 02/02/17
MgSiO3 COD 9004005 Pnma (62) ✔ 20 128 3 5.9742 6.080 0.000 (0;000) ✗ 27/01/17
BN ICSD 162876 Pmnb (62) ✔ 8 32 3 5.9754 6.508 0.000 (0;000) ✗ 06/10/16
Cs3SiF7 COD 1531490 P4/mbm (127) ✔ 22 160 1 5.9811 5.981 0.000 (0;000) ✗ 07/08/17
CsNbF6 ICSD 412444 R-3 (148) ✔ 8 64 1 5.9823 6.038 0.000 (0;000) ✗ 27/01/17
Cd(CN)2 ICSD 66938 P-43m (215) ✗ 10 60 3 5.9885 6.081 0.000 (0;000) ✗ 06/10/16
Ba(ClO4)2 COD 2240592 Fddd (70) ✔ 22 144 1 5.9888 5.989 0.000 (0;000) ✗ 04/08/17
BaLi2Mg(PO4)2 ICSD 236294 P-3 (147) ✔ 14 84 2 5.9892 6.088 0.000 (0;000) ✗ 05/01/17
SiO2 ICSD 153453 P3_1 (144) ✗ 9 48 0 5.9943 6.284 0.000 (0;000) ✗ 06/10/16
SiO2 ICSD 154289 P3_121 (152) ✗ 9 48 3 5.9953 6.285 0.000 (0;000) ✗ 06/10/16
MgS2O7 ICSD 426707 P-1 (2) ✔ 20 128 3 5.9973 5.997 0.000 (0;000) ✗ 02/02/17
RbBH4 COD 4315653 P4/nmm (129) ✔ 12 32 1 6.0005 6.001 0.000 (0;000) ✗ 05/01/17
SiO2 ICSD 100341 P3_221 (154) ✗ 9 48 3 6.0022 6.297 0.000 (0;000) ✗ 06/10/16
Zn(CN)2 ICSD 66937 P-43m (215) ✗ 10 60 3 6.0028 6.146 0.000 (0;000) ✗ 06/10/16
H2CClF COD 2013049 P2_1 (4) ✗ 10 40 1 6.0043 6.037 0.000 (0;000) ✗ 15/02/17
SiH8 ICSD 169739 I-4m2 (119) ✗ 9 12 1 6.0135 6.275 0.000 (0;000) ✗ 06/10/16
SF6 ICSD 41229 P-3m1 (164) ✔ 21 144 1 6.0159 6.027 0.000 (0;000) ✗ 04/08/17
Mg(ClO4)2 COD 2018117 P2_1/c (14) ✔ 22 144 3 6.019 6.019 0.000 (0;000) ✗ 04/08/17
SiO2 COD 4124028 Fd-3m (227) ✔ 24 128 3 6.0287 6.032 0.000 (0;000) ✗ 04/08/17
Cs2NaInF6 ICSD 24921 Fm-3m (225) ✔ 10 82 3 6.0369 6.086 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9007164 C2/c (15) ✔ 24 128 3 6.0378 6.278 0.000 (0;000) ✗ 04/08/17
AlHO2 COD 9010883 Pnma (62) ✔ 16 64 3 6.0478 6.048 0.000 (0;000) ✗ 05/01/17
RbLiF2 COD 4343819 C2/c (15) ✔ 16 104 1 6.05 6.068 0.000 (0;000) ✗ 02/02/17
LiNbF6 ICSD 165202 R-3 (148) ✔ 8 58 1 6.0507 6.055 0.000 (0;000) ✗ 27/01/17
NaB3H8 COD 4337144 Pmn2_1 (31) ✗ 24 52 1 6.0511 6.152 0.000 (0;000) ✗ 04/08/17
RbAsF6 ICSD 408069 R-3 (148) ✔ 8 56 1 6.0558 6.056 0.000 (0;000) ✗ 05/01/17
KHF2 COD 1010380 I4/mcm (140) ✔ 8 48 2 6.0591 6.586 0.000 (0;000) ✗ 27/01/17
N2 COD 9012477 P6_3/mmc (194) ✔ 4 20 1 6.0626 6.531 0.000 (0;000) ✗ 27/01/17
BH5NCl ICSD 248875 Cmc2_1 (36) ✗ 16 40 1 6.0688 6.228 0.000 (0;000) ✗ 15/02/17
NaAlF4 ICSD 20572 P4/mmm (123) ✔ 6 40 2 6.0733 6.404 0.000 (0;000) ✗ 05/01/17
BaSO4 ICSD 186427 P2_12_12_1 (19) ✗ 24 160 3 6.0821 6.211 0.000 (0;000) ✗ 04/08/17
KSbF6 ICSD 42509 P4_2/mcm (132) ✔ 16 112 1 6.093 6.093 0.000 (0;000) ✗ 02/02/17
Cs2SnF6 ICSD 281 P-3m1 (164) ✔ 9 74 1 6.1011 6.101 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9012605 P3_121 (152) ✗ 9 48 3 6.1021 6.226 0.000 (0;000) ✗ 15/02/17
KClO4 COD 9011079 Pnma (62) ✔ 24 160 1 6.1057 6.136 0.000 (0;000) ✗ 04/08/17
Li3PO4 COD 9012500 Pmn2_1 (31) ✗ 16 76 1 6.1067 6.197 0.000 (0;000) ✗ 15/02/17
Ba7(ClF6)2 ICSD 87084 P-6 (174) ✗ 21 168 1 6.1133 6.113 0.000 (0;000) ✗ 04/08/17
LiH2N ICSD 237214 Pbcm (57) ✔ 16 40 3 6.1225 6.972 0.000 (0;000) ✗ 27/01/17
BH3OF4 ICSD 15591 P-1 (2) ✔ 18 80 1 6.1272 6.158 0.000 (0;000) ✗ 05/01/17
BH6CN3F4 ICSD 202434 R3m (160) ✗ 15 56 1 6.1298 6.130 0.000 (0;000) ✗ 15/02/17
KF COD 9008652 Fm-3m (225) ✔ 2 16 1 6.1456 6.146 0.000 (0;000) ✗ 27/01/17
CsClO4 ICSD 63364 Pnma (62) ✔ 24 160 1 6.149 6.169 0.000 (0;000) ✗ 04/08/17
CsK(ClO4)2 ICSD 22504 R-3m (166) ✔ 12 80 1 6.1528 6.157 0.000 (0;000) ✗ 02/02/17
K2HfF6 ICSD 47244 Fm-3m (225) ✔ 9 72 1 6.1532 6.153 0.000 (0;000) ✗ 27/01/17
LiAlPHO5 ICSD 68921 P-1 (2) ✔ 18 84 3 6.1578 6.188 0.000 (0;000) ✗ 05/01/17
CaSnF6 ICSD 35713 Fm-3m (225) ✔ 8 66 1 6.1583 6.158 0.000 (0;000) ✗ 27/01/17
Be2BO3F ICSD 56847 C2/c (15) ✔ 14 72 1 6.1761 6.176 0.000 (0;000) ✗ 05/01/17
NaBH4 ICSD 166446 Pnma (62) ✔ 24 64 1 6.1844 6.186 0.000 (0;000) ✗ 04/08/17
HCN ICSD 76419 Imm2 (44) ✗ 3 10 1 6.1862 6.634 0.000 (0;000) ✗ 15/02/17
K3SiF7 ICSD 23875 P4/mbm (127) ✔ 22 160 1 6.192 6.192 0.000 (0;000) ✗ 04/08/17
NaMgF3 COD 9003812 Pm-3m (221) ✔ 5 40 3 6.1969 6.641 0.000 (0;000) ✗ 27/01/17
BH2C2NF4 COD 4300536 P2_1 (4) ✗ 20 92 1 6.197 6.204 0.000 (0;000) ✗ 21/03/17
KCaF3 ICSD 154074 Pm-3m (221) ✔ 5 40 1 6.2019 6.356 0.000 (0;000) ✗ 27/01/17
CaSO4 COD 5000040 Cmcm (63) ✔ 12 80 1 6.2076 6.694 0.000 (0;000) ✗ 27/01/17
BaBClF4 ICSD 188654 Pmn2_1 (31) ✗ 14 96 1 6.2092 6.211 0.000 (0;000) ✗ 21/03/17
POF3 ICSD 250498 P-3m1 (164) ✔ 10 64 1 6.2121 6.319 0.000 (0;000) ✗ 27/01/17
BaBePO4F ICSD 200922 P1 (1) ✗ 16 100 1 6.2132 6.473 0.000 (0;000) ✗ 15/02/17
Cs2SiF6 COD 1010285 Fm-3m (225) ✔ 9 64 1 6.2138 6.244 0.000 (0;000) ✗ 27/01/17
AlPO4 ICSD 159272 Cmcm (63) ✔ 12 64 3 6.2169 6.335 0.000 (0;000) ✗ 05/01/17
KRb2GaF6 ICSD 416605 Fm-3m (225) ✔ 10 82 3 6.2312 6.231 0.000 (0;000) ✗ 27/01/17
KBe2BO3F2 ICSD 187227 R-3c (167) ✔ 18 104 1 6.2336 6.234 0.000 (0;000) ✗ 21/03/17
MgSiO3 COD 9003749 R-3 (148) ✔ 10 64 3 6.2344 6.351 0.000 (0;000) ✗ 27/01/17
CsAsF6 ICSD 408070 R-3 (148) ✔ 8 56 1 6.2483 6.248 0.000 (0;000) ✗ 05/01/17
SiC(ClF)3 ICSD 173735 C2/m (12) ✔ 16 100 1 6.2495 6.314 0.000 (0;000) ✗ 02/02/17
BaAlBO3F2 ICSD 91316 P6_3/m (176) ✔ 16 96 2 6.2505 6.548 0.000 (0;000) ✗ 05/01/17
NaGaH8(NF3)2 ICSD 418737 Fm-3m (225) ✔ 18 82 1 6.2519 6.252 0.000 (0;000) ✗ 27/01/17
NaF COD 9007458 Fm-3m (225) ✔ 2 16 1 6.2699 6.270 0.000 (0;000) ✗ 27/01/17
KBe2BO3F2 ICSD 77277 R32 (155) ✗ 9 52 1 6.2765 6.286 0.000 (0;000) ✗ 15/02/17
LiCl COD 1011314 Fm-3m (225) ✔ 2 10 1 6.2774 6.277 0.000 (0;000) ✗ 27/01/17
C5N4 ICSD 2130 R3c (161) ✗ 18 80 3 6.2909 6.303 0.000 (0;000) ✗ 21/03/17
KRb2YF6 ICSD 73472 P2_1/c (14) ✔ 20 160 2 6.2959 6.332 0.000 (0;000) ✗ 02/02/17
K2GeF6 ICSD 30310 P6_3mc (186) ✗ 18 128 1 6.296 6.296 0.000 (0;000) ✗ 22/03/17
GeF4 ICSD 202558 I-43m (217) ✗ 5 32 1 6.2961 6.758 0.000 (0;000) ✗ 06/10/16
TcN ICSD 167870 F-43m (216) ✗ 2 20 3 6.2963 0.005 1.000 (0;000) ✗ 06/10/16
PNF2 ICSD 9684 Cmc2_1 (36) ✗ 8 48 1 6.3002 6.301 0.000 (0;000) ✗ 06/10/16
LiScF4 ICSD 413966 I4_1/a (88) ✔ 12 84 3 6.3135 6.319 0.000 (0;000) ✗ 27/01/17
Na5Zr2F13 ICSD 155759 C2/m (12) ✔ 20 144 1 6.3223 6.350 0.000 (0;000) ✗ 02/02/17
H4S(NO)2 ICSD 62522 Fdd2 (43) ✗ 18 64 1 6.3226 6.356 0.000 (0;000) ✗ 15/02/17
MgCO3 ICSD 161821 C222_1 (20) ✗ 10 64 3 6.3279 7.357 0.000 (0;000) ✗ 06/10/16
LiClO4 COD 4313930 Pnma (62) ✔ 24 136 1 6.3338 6.366 0.000 (0;000) ✗ 04/08/17
BeSO4 ICSD 44801 I-4 (82) ✗ 6 34 3 6.347 6.584 0.000 (0;000) ✗ 06/10/16
Al2O3 COD 9009681 R-3c (167) ✔ 10 48 3 6.3488 6.349 0.000 (0;000) ✗ 05/01/17
H7NF4 ICSD 38337 R3c (161) ✗ 24 80 1 6.3595 6.400 0.000 (0;000) ✗ 04/08/17
Cs2LiGaF6 ICSD 9004 P-3m1 (164) ✔ 10 76 1 6.3658 6.378 0.000 (0;000) ✗ 27/01/17
BaSO4 COD 9004122 Pnma (62) ✔ 24 160 1 6.3673 6.423 0.000 (0;000) ✗ 04/08/17
SiH3F ICSD 60065 P2_1/c (14) ✔ 20 56 1 6.3681 6.415 0.000 (0;000) ✗ 02/02/17
ScF3 ICSD 261089 Pm-3m (221) ✔ 4 32 3 6.3805 6.897 0.000 (0;000) ✗ 27/01/17
HCN ICSD 76418 I4mm (107) ✗ 3 10 1 6.3817 6.740 0.000 (0;000) ✗ 15/02/17
NaAsF6 ICSD 184565 Fm-3m (225) ✔ 8 56 1 6.3822 6.382 0.000 (0;000) ✗ 05/01/17
Cs2CaF4 ICSD 82616 I4/mmm (139) ✔ 7 56 1 6.3925 6.507 0.000 (0;000) ✗ 27/01/17
BaAlBO3F2 ICSD 421141 P-62c (190) ✗ 16 96 2 6.3966 6.552 0.000 (0;000) ✗ 15/02/17
KScF4 ICSD 72736 C2/m (12) ✔ 24 192 1 6.402 6.402 0.000 (0;000) ✗ 04/08/17
CaSO4 COD 9003568 P2_1/c (14) ✔ 24 160 1 6.4075 6.633 0.000 (0;000) ✗ 04/08/17
Rb2GeF6 ICSD 68982 Fm-3m (225) ✔ 9 64 1 6.413 6.413 0.000 (0;000) ✗ 27/01/17
BaGeF6 COD 1010206 R-3m (166) ✔ 8 56 1 6.4215 6.422 0.000 (0;000) ✗ 05/01/17
KB(CN)4 ICSD 411180 I4_1/a (88) ✔ 20 96 1 6.4334 6.461 0.000 (0;000) ✗ 02/02/17
NaMgF3 COD 9003811 Pnma (62) ✔ 20 160 3 6.4343 6.434 0.000 (0;000) ✗ 02/02/17
SrF2 ICSD 168801 P6_3/mmc (194) ✔ 6 48 2 6.438 6.666 0.000 (0;000) ✗ 27/01/17
K3AlF6 ICSD 262078 Fm-3m (225) ✔ 10 72 3 6.4532 6.453 0.000 (0;000) ✗ 05/01/17
CaB4O7 COD 7209486 Pmn2_1 (31) ✗ 24 128 3 6.4573 6.760 0.000 (0;000) ✗ 04/08/17
CO ICSD 26962 P2_13 (198) ✗ 8 40 1 6.4576 6.458 0.000 (0;000) ✗ 06/10/16
Rb2HfF6 ICSD 25599 P-3m1 (164) ✔ 9 72 1 6.4633 6.463 0.000 (0;000) ✗ 27/01/17
BaZrF6 ICSD 36122 Cmme (67) ✔ 16 112 1 6.4655 6.524 0.000 (0;000) ✗ 02/02/17
Cs2NaGaF6 ICSD 55003 R-3m (166) ✔ 20 164 1 6.4731 6.496 0.000 (0;000) ✗ 02/02/17
KH3F4 COD 4124451 R-3c (167) ✔ 16 80 1 6.4747 6.534 0.000 (0;000) ✗ 27/01/17
H2CO ICSD 151343 R3c (161) ✗ 24 72 3 6.4755 6.532 0.000 (0;000) ✗ 04/08/17
Rb2LiGaF6 ICSD 50468 R-3m (166) ✔ 20 152 1 6.4902 6.490 0.000 (0;000) ✗ 02/02/17
LiAlO2 COD 9009880 R-3m (166) ✔ 4 18 2 6.4953 6.634 0.000 (0;000) ✗ 05/01/17
KP(HO2)2 ICSD 186817 C222_1 (20) ✗ 16 80 2 6.4968 6.643 0.000 (0;000) ✗ 15/02/17
LaF3 ICSD 167553 Pmmn (59) ✔ 8 48 3 6.5026 6.822 0.000 (0;000) ✗ 06/10/16
K2AlF5 COD 1000479 P4/mmm (123) ✔ 8 56 1 6.503 6.546 0.000 (0;000) ✗ 05/01/17
Cd(CN)2 ICSD 20748 P-43m (215) ✗ 10 60 3 6.5073 6.601 0.000 (0;000) ✗ 06/10/16
Rb2MgF4 ICSD 69681 I4/mmm (139) ✔ 7 56 2 6.5096 6.639 0.000 (0;000) ✗ 27/01/17
BeO COD 1011325 Fm-3m (225) ✔ 2 10 1 6.5102 6.607 0.000 (0;000) ✗ 05/01/17
Cs2RbYF6 ICSD 25366 Fm-3m (225) ✔ 10 80 1 6.5182 6.528 0.000 (0;000) ✗ 02/02/17
Cs2GeF6 COD 1010607 Fm-3m (225) ✔ 9 64 1 6.5304 6.536 0.000 (0;000) ✗ 27/01/17
CsSrF3 ICSD 49578 Pm-3m (221) ✔ 5 40 1 6.5311 6.531 0.000 (0;000) ✗ 27/01/17
BH6N ICSD 181422 Cmc2_1 (36) ✗ 16 28 1 6.5504 6.904 0.000 (0;000) ✗ 15/02/17
BeCl2 COD 1526848 Ibam (72) ✔ 6 36 1 6.5568 6.792 0.000 (0;000) ✗ 05/01/17
K2NaYF6 ICSD 22115 Fm-3m (225) ✔ 10 80 2 6.5571 6.557 0.000 (0;000) ✗ 27/01/17
LiB(CN)4 COD 4308584 P-43m (215) ✗ 10 42 1 6.563 6.689 0.000 (0;000) ✗ 15/02/17
B2O3 COD 1510796 P3_121 (152) ✗ 15 72 3 6.5637 6.789 0.000 (0;000) ✗ 15/02/17
Rb2GeF6 ICSD 26633 P-3m1 (164) ✔ 9 64 1 6.5704 6.579 0.000 (0;000) ✗ 27/01/17
RbB(CN)4 COD 4308589 I4_1/a (88) ✔ 20 96 1 6.58 6.604 0.000 (0;000) ✗ 02/02/17
CsLiF2 COD 4343820 C2/c (15) ✔ 16 104 3 6.5835 6.584 0.000 (0;000) ✗ 02/02/17
Na3AlF6 COD 9006163 P2_1/c (14) ✔ 20 144 1 6.5845 6.614 0.000 (0;000) ✗ 30/01/17
KRb2ScF6 ICSD 81683 Fm-3m (225) ✔ 10 80 3 6.5929 6.593 0.000 (0;000) ✗ 27/01/17
CaF2 ICSD 51239 Pmc2_1 (26) ✗ 6 48 1 6.5997 6.813 0.000 (0;000) ✗ 06/10/16
Li2SO4 ICSD 153807 Cmcm (63) ✔ 14 72 1 6.6118 6.850 0.000 (0;000) ✗ 27/01/17
K2HfF6 ICSD 29514 C2/c (15) ✔ 18 144 1 6.6195 6.713 0.000 (0;000) ✗ 02/02/17
S(OF)2 ICSD 62968 P4_12_12 (92) ✗ 20 128 1 6.6222 6.639 0.000 (0;000) ✗ 22/03/17
Cs4KLiGa2F12 ICSD 78927 R-3m (166) ✔ 20 158 1 6.6244 6.626 0.000 (0;000) ✗ 22/03/17
NaAlF4 COD 1507767 Cmcm (63) ✔ 12 80 1 6.625 6.625 0.000 (0;000) ✗ 05/01/17
BaMgF4 ICSD 182596 Ccm2_1 (36) ✗ 12 96 2 6.6299 6.798 0.000 (0;000) ✗ 06/10/16
HS2N(O2F)2 ICSD 165234 P2_1 (4) ✗ 20 112 1 6.6299 6.731 0.000 (0;000) ✗ 22/03/17
CClF3 ICSD 49696 Ccm2_1 (36) ✗ 10 64 1 6.6335 6.643 0.000 (0;000) ✗ 06/10/16
CO2 ICSD 166852 R-3c (167) ✔ 24 128 1 6.6343 6.801 0.000 (0;000) ✗ 04/08/17
RbCaF3 COD 1530112 Pm-3m (221) ✔ 5 40 1 6.635 6.752 0.000 (0;000) ✗ 27/01/17
K2MgF4 ICSD 33519 I4/mmm (139) ✔ 7 56 2 6.6361 6.783 0.000 (0;000) ✗ 27/01/17
CsHF2 ICSD 45858 I4/mcm (140) ✔ 8 48 1 6.638 6.638 0.000 (0;000) ✗ 27/01/17
Li2ZrF6 COD 1528581 P-31m (162) ✔ 9 52 1 6.6389 6.759 0.000 (0;000) ✗ 27/01/17
BaLiF3 ICSD 45310 Pm-3m (221) ✔ 5 34 1 6.6401 6.640 0.000 (0;000) ✗ 05/01/17
NaHF2 COD 1010284 R-3m (166) ✔ 4 24 1 6.6482 6.928 0.000 (0;000) ✗ 27/01/17
Cs2HfF6 ICSD 25600 P-3m1 (164) ✔ 9 72 1 6.6489 6.683 0.000 (0;000) ✗ 27/01/17
K3YF6 ICSD 416296 P2_1/c (14) ✔ 20 160 1 6.6499 6.735 0.000 (0;000) ✗ 02/02/17
Rb2NaYF6 ICSD 25369 Fm-3m (225) ✔ 10 80 2 6.6501 6.650 0.000 (0;000) ✗ 27/01/17
K2GeF6 COD 1010101 P-3m1 (164) ✔ 9 64 1 6.653 6.680 0.000 (0;000) ✗ 27/01/17
CsB(CN)4 COD 4308582 I4_1/a (88) ✔ 20 96 1 6.6641 6.715 0.000 (0;000) ✗ 02/02/17
Rb3NaBe2F8 COD 1008068 P-3m1 (164) ✔ 14 100 1 6.6979 6.755 0.000 (0;000) ✗ 02/02/17
K2HfF6 ICSD 47243 P4/mnc (128) ✔ 18 144 1 6.7296 6.844 0.000 (0;000) ✗ 02/02/17
Li4CO4 ICSD 245405 C2 (5) ✗ 9 40 1 6.7435 6.759 0.000 (0;000) ✗ 06/10/16
CaSO4 COD 9003569 Pnma (62) ✔ 24 160 1 6.7502 6.838 0.000 (0;000) ✗ 04/08/17
Na5Hf2F13 COD 4331657 C2/m (12) ✔ 20 160 1 6.7605 6.779 0.000 (0;000) ✗ 02/02/17
H2SO4 COD 2005680 C2/c (15) ✔ 14 64 1 6.7617 7.041 0.000 (0;000) ✗ 27/01/17
BaF2 COD 9009004 Fm-3m (225) ✔ 3 24 1 6.7708 6.829 0.000 (0;000) ✗ 05/01/17
KRb2ScF6 ICSD 81679 P2_1/c (14) ✔ 20 160 2 6.7988 6.811 0.000 (0;000) ✗ 02/02/17
Cs2LiAl3F12 COD 1000165 R-3m (166) ✔ 18 114 1 6.8333 6.936 0.000 (0;000) ✗ 30/01/17
RbHF2 ICSD 45859 I4/mcm (140) ✔ 8 48 1 6.8504 6.883 0.000 (0;000) ✗ 27/01/17
Cs2NaScF6 ICSD 55694 Fm-3m (225) ✔ 10 80 1 6.8514 6.862 0.000 (0;000) ✗ 27/01/17
Cs2KYF6 ICSD 155977 Fm-3m (225) ✔ 10 80 1 6.8517 6.852 0.000 (0;000) ✗ 02/02/17
CsBeF3 ICSD 9870 Pnma (62) ✔ 20 136 1 6.8536 6.961 0.000 (0;000) ✗ 02/02/17
RbBe2F5 ICSD 28541 P1 (1) ✗ 8 52 2 6.8553 6.858 0.000 (0;000) ✗ 06/10/16
NaB(CN)4 COD 4308585 Fd-3m (227) ✔ 20 96 1 6.8589 6.878 0.000 (0;000) ✗ 02/02/17
H3OF ICSD 24382 Pnma (62) ✔ 20 64 1 6.8666 6.867 0.000 (0;000) ✗ 27/01/17
CO2 COD 9014868 P3_221 (154) ✗ 9 48 3 6.8671 7.441 0.000 (0;000) ✗ 15/02/17
SiO2 COD 9007154 P4_2/mnm (136) ✔ 6 32 3 6.8678 6.868 0.000 (0;000) ✗ 27/01/17
Zn(CN)2 ICSD 22392 P-43m (215) ✗ 10 60 3 6.8701 7.033 0.000 (0;000) ✗ 06/10/16
SF6 COD 1526434 C2/m (12) ✔ 21 144 1 6.8724 6.886 0.000 (0;000) ✗ 04/08/17
KCaF3 ICSD 181643 Pnma (62) ✔ 20 160 1 6.8806 6.902 0.000 (0;000) ✗ 02/02/17
SrMgF4 COD 7218677 Cmc2_1 (36) ✗ 12 96 2 6.891 6.986 0.000 (0;000) ✗ 15/02/17
SF6 ICSD 63362 Im-3m (229) ✔ 7 48 1 6.9017 6.902 0.000 (0;000) ✗ 27/01/17
LiTaF6 ICSD 165205 R-3 (148) ✔ 8 58 1 6.9064 6.906 0.000 (0;000) ✗ 27/01/17
BeO ICSD 163467 F-43m (216) ✗ 2 10 1 6.9092 7.605 0.000 (0;000) ✗ 06/10/16
BeSO4 ICSD 16832 I-4 (82) ✗ 6 34 3 6.9194 7.081 0.000 (0;000) ✗ 06/10/16
KLiBeF4 ICSD 2939 P6_3 (173) ✗ 14 88 1 6.9444 7.012 0.000 (0;000) ✗ 15/02/17
NaAlH8(NF3)2 COD 2210090 Fm-3m (225) ✔ 18 72 1 6.9624 6.962 0.000 (0;000) ✗ 05/01/17
BeO COD 2310674 P4_2/mnm (136) ✔ 8 40 1 6.9696 6.970 0.000 (0;000) ✗ 05/01/17
PH2F3 ICSD 406359 Cmc2_1 (36) ✗ 12 56 1 6.9776 6.978 0.000 (0;000) ✗ 15/02/17
K2NaScF6 ICSD 65730 Fm-3m (225) ✔ 10 80 1 6.9921 6.992 0.000 (0;000) ✗ 27/01/17
RbF ICSD 43436 Pm-3m (221) ✔ 2 16 3 7.0174 7.017 0.000 (0;000) ✗ 27/01/17
CO2 ICSD 188890 I-42d (122) ✗ 6 32 3 7.0217 7.119 0.000 (0;000) ✗ 06/10/16
Na3ScF6 ICSD 400723 P2_1/c (14) ✔ 20 160 1 7.041 7.074 0.000 (0;000) ✗ 02/02/17
CO2 COD 2007414 Pa3 (205) ✔ 12 64 1 7.0491 7.049 0.000 (0;000) ✗ 27/01/17
Cs2NaYF6 ICSD 25368 Fm-3m (225) ✔ 10 80 3 7.0911 7.091 0.000 (0;000) ✗ 27/01/17
KHF2 COD 1009029 I4/mcm (140) ✔ 8 48 1 7.1061 7.160 0.000 (0;000) ✗ 27/01/17
B2S2O9 ICSD 426544 C2 (5) ✗ 13 72 2 7.109 7.305 0.000 (0;000) ✗ 06/10/16
Rb2NaAlF6 ICSD 290318 Fm-3m (225) ✔ 10 72 1 7.1159 7.116 0.000 (0;000) ✗ 05/01/17
BaMgF4 ICSD 50227 Ccm2_1 (36) ✗ 12 96 2 7.1288 7.150 0.000 (0;000) ✗ 06/10/16
Cs2NaAlF6 ICSD 200305 R-3m (166) ✔ 20 144 1 7.1303 7.161 0.000 (0;000) ✗ 16/03/17
RbAlF4 COD 1000453 P4/mmm (123) ✔ 6 40 2 7.1638 7.596 0.000 (0;000) ✗ 05/01/17
KAlF4 COD 1000208 P2_1/m (11) ✔ 24 160 1 7.1678 7.174 0.000 (0;000) ✗ 04/08/17
N2 COD 9012475 P4_2/mnm (136) ✔ 4 20 1 7.1756 7.385 0.000 (0;000) ✗ 27/01/17
K2NaAlF6 COD 9009341 Fm-3m (225) ✔ 10 72 1 7.1867 7.187 0.000 (0;000) ✗ 05/01/17
SrF2 COD 9016413 Fm-3m (225) ✔ 3 24 1 7.1886 7.257 0.000 (0;000) ✗ 27/01/17
H3C2N COD 2103498 P2_1/c (14) ✔ 24 64 1 7.2294 7.259 0.000 (0;000) ✗ 04/08/17
MgF2 COD 1526229 P4_2/mnm (136) ✔ 6 48 3 7.2358 7.236 0.000 (0;000) ✗ 27/01/17
CsAlF4 COD 7221224 P-62m (189) ✗ 18 120 1 7.242 7.254 0.000 (0;000) ✗ 16/03/17
Li2CaHfF8 ICSD 95248 I-4 (82) ✗ 12 84 1 7.2455 7.291 0.000 (0;000) ✗ 15/02/17
K2SrBe2F8 ICSD 109005 R-3m (166) ✔ 13 92 1 7.2462 7.347 0.000 (0;000) ✗ 05/01/17
RbAlF4 COD 1000454 P4/mbm (127) ✔ 12 80 2 7.2538 7.349 0.000 (0;000) ✗ 05/01/17
LiBH4 ICSD 245569 P6_3mc (186) ✗ 12 20 1 7.2544 7.254 0.000 (0;000) ✗ 15/02/17
Li2BF5 ICSD 426821 I4_1/amd (141) ✔ 16 88 1 7.2587 7.289 0.000 (0;000) ✗ 05/01/17
KAlF4 COD 1000207 P4/mbm (127) ✔ 12 80 2 7.2718 7.309 0.000 (0;000) ✗ 05/01/17
H3C2N COD 1504384 Cmc2_1 (36) ✗ 12 32 1 7.2799 7.387 0.000 (0;000) ✗ 15/02/17
Rb2SiF6 ICSD 38547 Fm-3m (225) ✔ 9 64 1 7.2838 7.284 0.000 (0;000) ✗ 27/01/17
AlF3 ICSD 30274 R32 (155) ✗ 8 48 3 7.2936 7.295 0.000 (0;000) ✗ 06/10/16
RbAlF4 COD 1000457 Pmmn (59) ✔ 24 160 1 7.3074 7.339 0.000 (0;000) ✗ 04/08/17
KAlF4 ICSD 77913 P4/mmm (123) ✔ 6 40 2 7.3093 7.704 0.000 (0;000) ✗ 05/01/17
BaF2 ICSD 41650 Pnma (62) ✔ 12 96 1 7.3138 7.314 0.000 (0;000) ✗ 05/01/17
KMgF3 COD 9006363 Pm-3m (221) ✔ 5 40 3 7.3144 7.623 0.000 (0;000) ✗ 27/01/17
Cs2NaAl3F12 COD 1000492 R-3m (166) ✔ 18 120 1 7.3545 7.371 0.000 (0;000) ✗ 30/01/17
Na2LiAlF6 COD 2013037 P2_1/c (14) ✔ 20 132 1 7.3657 7.366 0.000 (0;000) ✗ 30/01/17
LiBO2 ICSD 34256 I-42d (122) ✗ 8 36 3 7.3954 7.536 0.000 (0;000) ✗ 07/10/16
CaAlF5 COD 1000300 C2/c (15) ✔ 14 96 1 7.4033 7.403 0.000 (0;000) ✗ 05/01/17
Ca2CrSbO6 ICSD 290790 P2_1/c (14) ✔ 20 150 3 7.4056 0.000 1.000 (0;000) ✗ 21/03/17
BPO4 COD 8103470 P3_121 (152) ✗ 18 96 3 7.469 7.603 0.000 (0;000) ✗ 15/02/17
BeO ICSD 601160 P6_3mc (186) ✗ 4 20 1 7.4832 7.483 0.000 (0;000) ✗ 06/10/16
K2SiF6 COD 2106022 Fm-3m (225) ✔ 9 64 1 7.4869 7.487 0.000 (0;000) ✗ 27/01/17
BaMgF4 ICSD 182597 Ccm2_1 (36) ✗ 12 96 2 7.4872 7.496 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 26890 I-4 (82) ✗ 6 32 3 7.4923 7.703 0.000 (0;000) ✗ 06/10/16
K2SiF6 COD 9010636 P6_3mc (186) ✗ 18 128 1 7.5399 7.540 0.000 (0;000) ✗ 22/03/17
BH3NF4 ICSD 49614 P-1 (2) ✔ 18 78 1 7.5408 7.573 0.000 (0;000) ✗ 05/01/17
LiBH4 COD 1504402 Pnma (62) ✔ 24 40 1 7.5535 7.596 0.000 (0;000) ✗ 04/08/17
LiYF4 COD 1531438 C2/c (15) ✔ 12 84 3 7.555 7.555 0.000 (0;000) ✗ 27/01/17
K2LiAlF6 ICSD 48149 R-3m (166) ✔ 20 132 1 7.5678 7.568 0.000 (0;000) ✗ 16/03/17
BPO4 ICSD 150371 I-4 (82) ✗ 6 32 3 7.5837 7.792 0.000 (0;000) ✗ 06/10/16
Li2HfF6 COD 4331655 P-31m (162) ✔ 9 60 1 7.595 7.681 0.000 (0;000) ✗ 27/01/17
BPO4 ICSD 55082 I-4 (82) ✗ 6 32 3 7.5989 7.822 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 150372 I-4 (82) ✗ 6 32 3 7.6086 7.820 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 150373 I-4 (82) ✗ 6 32 3 7.6292 7.819 0.000 (0;000) ✗ 06/10/16
Re2SbO6 ICSD 51023 C2/c (15) ✔ 18 142 3 7.6296 0.000 1.000 (0;000) ✗ 29/03/17
BaMgF4 ICSD 182598 Ccm2_1 (36) ✗ 12 96 2 7.6297 7.630 0.000 (0;000) ✗ 06/10/16
SrLiAlF6 ICSD 68905 P-31c (163) ✔ 18 116 1 7.6302 7.645 0.000 (0;000) ✗ 30/01/17
BPO4 ICSD 55083 I-4 (82) ✗ 6 32 3 7.6318 7.848 0.000 (0;000) ✗ 06/10/16
RbMgF3 ICSD 49585 Pm-3m (221) ✔ 5 40 3 7.6344 7.759 0.000 (0;000) ✗ 27/01/17
BPO4 ICSD 150378 I-4 (82) ✗ 6 32 3 7.6596 7.782 0.000 (0;000) ✗ 06/10/16
AlF3 ICSD 130021 Pm-3m (221) ✔ 4 24 3 7.6687 8.500 0.000 (0;000) ✗ 05/01/17
BPO4 ICSD 150375 I-4 (82) ✗ 6 32 3 7.6708 7.835 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 150374 I-4 (82) ✗ 6 32 3 7.6752 7.855 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 150376 I-4 (82) ✗ 6 32 3 7.6811 7.826 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 150379 I-4 (82) ✗ 6 32 3 7.6826 7.789 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 150380 I-4 (82) ✗ 6 32 3 7.6841 7.769 0.000 (0;000) ✗ 06/10/16
SrBeF4 ICSD 404396 P2_1/c (14) ✔ 24 168 1 7.6882 7.690 0.000 (0;000) ✗ 04/08/17
PF5 ICSD 62554 P6_3/mmc (194) ✔ 12 80 1 7.6983 7.698 0.000 (0;000) ✗ 27/01/17
BPO4 ICSD 150377 I-4 (82) ✗ 6 32 3 7.7013 7.833 0.000 (0;000) ✗ 06/10/16
BPO4 ICSD 413437 I-4 (82) ✗ 6 32 3 7.731 7.958 0.000 (0;000) ✗ 06/10/16
KF ICSD 61558 Pm-3m (221) ✔ 2 16 3 7.7424 7.742 0.000 (0;000) ✗ 27/01/17
CaSiF6 ICSD 183914 R-3 (148) ✔ 8 56 1 7.7957 7.796 0.000 (0;000) ✗ 27/01/17
RbBF4 COD 9012413 Pnma (62) ✔ 24 160 1 7.797 7.797 0.000 (0;000) ✗ 04/08/17
YF3 ICSD 26595 Pnma (62) ✔ 16 128 3 7.8042 7.839 0.000 (0;000) ✗ 27/01/17
CaH2F4 ICSD 419144 Fddd (70) ✔ 14 80 1 7.8159 7.816 0.000 (0;000) ✗ 27/01/17
BaBeF4 COD 5910312 Pnma (62) ✔ 24 168 1 7.8184 7.862 0.000 (0;000) ✗ 04/08/17
BaSiF6 COD 1530106 R-3m (166) ✔ 8 56 1 7.8259 7.826 0.000 (0;000) ✗ 05/01/17
YF3 ICSD 190472 P-3c1 (165) ✔ 24 192 3 7.8345 7.835 0.000 (0;000) ✗ 04/08/17
AlF3 COD 1000238 Cmcm (63) ✔ 24 144 3 7.8409 7.841 0.000 (0;000) ✗ 04/08/17
KPF6 ICSD 56256 R-3 (148) ✔ 8 56 1 7.8511 7.851 0.000 (0;000) ✗ 27/01/17
K2LiAlF6 ICSD 408553 Fm-3m (225) ✔ 10 66 1 7.8621 7.862 0.000 (0;000) ✗ 05/01/17
N2 COD 9008571 Pa3 (205) ✔ 8 40 1 7.8876 7.909 0.000 (0;000) ✗ 27/01/17
NaPF6 COD 1521416 Fm-3m (225) ✔ 8 56 1 7.8908 7.891 0.000 (0;000) ✗ 27/01/17
CsBF4 COD 1532247 Pnma (62) ✔ 24 160 1 7.8917 7.931 0.000 (0;000) ✗ 04/08/17
MgF2 COD 1526236 Pa3 (205) ✔ 12 96 3 7.909 7.909 0.000 (0;000) ✗ 27/01/17
CaF2 COD 9007069 Fm-3m (225) ✔ 3 24 1 7.9254 8.174 0.000 (0;000) ✗ 02/02/17
MgF2 ICSD 191439 Pmnn (58) ✔ 6 48 3 7.9375 7.938 0.000 (0;000) ✗ 06/10/16
LiCaAlF6 COD 9012618 P-31c (163) ✔ 18 116 1 7.9393 7.963 0.000 (0;000) ✗ 30/01/17
BeF2 COD 4124120 I-43m (217) ✗ 18 108 1 7.945 7.971 0.000 (0;000) ✗ 21/03/17
MgSiO3 COD 9002911 C2/c (15) ✔ 20 128 3 8.017 8.017 0.000 (0;000) ✗ 27/01/17
NaBF4 COD 9007507 Cmcm (63) ✔ 12 80 1 8.0382 8.254 0.000 (0;000) ✗ 05/01/17
SiF4 ICSD 14122 I-43m (217) ✗ 5 32 1 8.056 8.625 0.000 (0;000) ✗ 06/10/16
AlF3 COD 1000467 R-3c (167) ✔ 8 48 3 8.0575 8.058 0.000 (0;000) ✗ 05/01/17
PHF4 ICSD 406358 P2_1/c (14) ✔ 24 136 1 8.0586 8.095 0.000 (0;000) ✗ 04/08/17
MgSiO3 COD 9009217 Cmcm (63) ✔ 10 64 3 8.0915 8.450 0.000 (0;000) ✗ 27/01/17
BeF2 ICSD 9481 P6_222 (180) ✗ 9 54 1 8.125 8.200 0.000 (0;000) ✗ 06/10/16
KBF4 COD 9012411 Pnma (62) ✔ 24 160 1 8.1512 8.151 0.000 (0;000) ✗ 04/08/17
AlF3 ICSD 36034 R-3 (148) ✔ 8 48 3 8.1649 8.165 0.000 (0;000) ✗ 06/10/16
LiHF2 ICSD 23883 R-3m (166) ✔ 4 18 1 8.2121 8.402 0.000 (0;000) ✗ 27/01/17
LiPF6 ICSD 74830 R-3 (148) ✔ 8 50 1 8.2887 8.289 0.000 (0;000) ✗ 27/01/17
MgSiO3 COD 9003382 C2/c (15) ✔ 20 128 3 8.3287 8.473 0.000 (0;000) ✗ 27/01/17
BaB2F8 COD 2016138 C2/m (12) ✔ 11 72 1 8.347 8.354 0.000 (0;000) ✗ 05/01/17
LiBF4 COD 1505727 P3_121 (152) ✗ 18 102 3 8.4755 8.515 0.000 (0;000) ✗ 21/03/17
SF6 ICSD 214 Im-3m (229) ✔ 7 48 1 8.4913 8.491 0.000 (0;000) ✗ 06/10/16
CaF2 ICSD 656449 Pnma (62) ✔ 12 96 1 8.4981 8.498 0.000 (0;000) ✗ 27/01/17
BeF2 ICSD 261194 P3_121 (152) ✗ 9 54 3 8.5108 8.658 0.000 (0;000) ✗ 06/10/16
Al2O3 ICSD 169723 Pbcn (60) ✔ 20 96 3 8.5906 8.591 0.000 (0;000) ✗ 05/01/17
B2O3 COD 2105403 Cmc2_1 (36) ✗ 10 48 3 8.6954 8.982 0.000 (0;000) ✗ 15/02/17
LiYF4 COD 1531435 I4_1/a (88) ✔ 12 84 3 8.7447 8.766 0.000 (0;000) ✗ 27/01/17
Mn2FeSbO6 ICSD 181147 P2_1/c (14) ✔ 20 158 3 8.8163 0.000 1.000 (0;000) ✗ 02/02/17
LiF COD 9008667 Fm-3m (225) ✔ 2 10 1 9.1231 9.123 0.000 (0;000) ✗ 27/01/17
NaMgF3 ICSD 156158 Cmc2_1 (36) ✗ 10 80 3 9.1855 9.189 0.000 (0;000) ✗ 06/10/16
Al2O3 ICSD 169722 C2/c (15) ✔ 10 48 3 9.3608 9.361 0.000 (0;000) ✗ 06/10/16
CF4 ICSD 65786 C2/c (15) ✔ 10 64 1 9.3762 9.446 0.000 (0;000) ✗ 27/01/17
CF4 ICSD 2848 C2/c (15) ✔ 10 64 1 9.4116 9.472 0.000 (0;000) ✗ 06/10/16
NaMgF3 COD 9010120 Cmcm (63) ✔ 10 80 3 9.6622 9.662 0.000 (0;000) ✗ 27/01/17
SiO2 COD 9009218 Pa3 (205) ✔ 12 64 3 10.1731 10.473 0.000 (0;000) ✗ 27/01/17
Li4WO5 ICSD 108819 P-1 (2) ✔ 20 112 1 10.2285 3.381 1.000 (0;000) ✗ 29/03/17
Li2WO4 COD 1527546 C2/c (15) ✔ 14 88 1 10.5063 0.003 1.000 (0;000) ✗ 29/03/17
Na3LiWO5 ICSD 49027 P-1 (2) ✔ 20 148 1 10.5658 0.029 1.000 (0;000) ✗ 29/03/17
NaMn7O12 COD 1530350 Im3 (204) ✔ 20 186 3 11.0368 0.000 1.000 (0;000) ✗ 29/03/17
Y2Ni7 ICSD 647051 R-3m (166) ✔ 18 184 3 13.5275 0.007 1.000 (0;000) ✗ 29/03/17
Sr3Tl5 ICSD 380325 Cmcm (63) ✔ 16 190 2 14.2151 0.000 1.000 (0;000) ✗ 29/03/17
TaMnGe ICSD 637097 Ima2 (46) ✗ 18 192 3 19.5071 0.004 1.000 (0;000) ✗ 22/03/17
TiFeGe ICSD 632139 Ima2 (46) ✗ 18 144 3 21.2999 0.005 1.000 (0;000) ✗ 22/03/17
TiMnGe ICSD 637114 Ima2 (46) ✗ 18 186 3 21.9526 0.001 1.000 (0;000) ✗ 22/03/17
MnGeRh ICSD 41155 Ima2 (46) ✗ 18 216 3 24.8823 0.011 1.000 (0;000) ✗ 22/03/17
Mn3SiNi2 ICSD 643133 Fd-3m (227) ✔ 24 276 3 25.1258 0.004 1.000 (0;000) ✗ 07/08/17
Cr3SiNi2 ICSD 53197 Fd-3m (227) ✔ 24 264 3 26.3107 0.002 1.000 (0;000) ✗ 07/08/17
ZrTc2 COD 1501466 P6_3/mmc (194) ✔ 12 136 3 26.7426 0.012 1.000 (0;000) ✗ 29/03/17
Cr2P COD 1008867 Imm2 (44) ✗ 18 198 3 28.0232 0.005 1.000 (0;000) ✗ 22/03/17
SiRu ICSD 650618 P2_13 (198) ✗ 8 80 3 28.9579 0.291 1.000 (0;000) ✗ 06/10/16
SbRh2 ICSD 650253 Pnma (62) ✔ 12 156 3 32.2587 0.002 1.000 (0;000) ✗ 29/03/17
MnSbRh2 ICSD 76202 P4/mmm (123) ✔ 4 54 3 32.6686 0.004 1.000 (0;000) ✗ 27/01/17
Mn12Ge5 ICSD 192814 R32 (155) ✗ 17 200 3 33.0519 0.008 1.000 (0;000) ✗ 22/03/17
Mn3P ICSD 643224 I-4 (82) ✗ 16 200 3 33.5527 0.002 1.000 (0;000) ✗ 29/03/17
Mn2Sb ICSD 163332 P6_3/mmc (194) ✔ 6 70 3 34.0362 0.000 1.000 (0;000) ✗ 27/01/17