▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TiNi | COD | 9014315 | P-3 (147) | ✔ | 18 | 198 | 3 | 0.0 | 0.002 | 0.890 | (1;001) | ✗ | 29/03/17 |
Ba4Zr(RuO4)3 | ICSD | 47133 | R-3m (166) | ✔ | 20 | 164 | 3 | 0.0 | 0.002 | 0.486 | (0;111) | ✗ | 21/03/17 |
SrPO4 | COD | 9015018 | P-1 (2) | ✔ | 24 | 156 | 1 | 0.0 | 0.002 | 0.180 | (1;001) | ✗ | 04/08/17 |
C4S3N5 | COD | 4116668 | P-1 (2) | ✔ | 24 | 118 | 1 | 0.0 | 0.002 | 0.875 | (0;010) | ✗ | 04/08/17 |
SrAg | COD | 2105352 | Pnma (62) | ✔ | 16 | 168 | 1 | 0.0 | 0.002 | 0.669 | (0;000) | ✗ | 16/03/17 |
Zr2Ni2Sn | ICSD | 54303 | P4/mbm (127) | ✔ | 10 | 84 | 3 | 0.0 | 0.002 | 0.853 | (1;001) | ✗ | 27/01/17 |
TaGaNi2 | COD | 1522471 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.002 | 0.249 | (1;000) | ✗ | 27/01/17 |
Mn3Bi | ICSD | 58808 | R-3m (166) | ✔ | 16 | 200 | 3 | 4.8879 | 0.002 | 1.000 | (0;000) | ✗ | 06/10/16 |
Ga2NiS4 | ICSD | 634901 | P-3m1 (164) | ✔ | 7 | 60 | 2 | 0.0 | 0.002 | 0.591 | (0;000) | ✗ | 27/01/17 |
LiGa2Ir | COD | 1527263 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.002 | 0.855 | (1;000) | ✗ | 27/01/17 |
Sc2Si2Ru | ICSD | 420133 | C2/m (12) | ✔ | 10 | 92 | 3 | 0.0 | 0.002 | 0.445 | (0;001) | ✗ | 27/01/17 |
YNi | COD | 2106095 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.002 | 0.524 | (1;011) | ✗ | 27/01/17 |
Hf3AlN | ICSD | 602284 | Cmcm (63) | ✔ | 10 | 88 | 3 | 0.0 | 0.002 | 0.945 | (1;000) | ✗ | 05/01/17 |
VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
B4Mo | ICSD | 182095 | P6_3/mmc (194) | ✔ | 20 | 104 | 3 | 0.0 | 0.002 | 0.542 | (0;000) | ✗ | 05/01/17 |
BaCdGe | COD | 1527799 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.190 | (1;000) | ✗ | 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 |
Ba | ICSD | 109028 | I4/mcm (140) | ✔ | 4 | 40 | 1 | 0.0 | 0.002 | 0.515 | (0;000) | ✗ | 05/01/17 |
Be12Pd | ICSD | 109314 | I4/mmm (139) | ✔ | 13 | 66 | 1 | 0.0 | 0.002 | 0.476 | (1;000) | ✗ | 05/01/17 |
ScB2Os | ICSD | 615126 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.002 | 0.259 | (1;011) | ✗ | 27/01/17 |
CaNiGe | ICSD | 418852 | P4/nmm (129) | ✔ | 6 | 48 | 2 | 0.0 | 0.002 | 0.796 | (0;001) | ✗ | 27/01/17 |
Sr3Fe2O5 | ICSD | 261512 | Cmmm (65) | ✔ | 10 | 76 | 3 | 0.0 | 0.002 | 0.740 | (0;110) | ✗ | 27/01/17 |
KMnTe2 | ICSD | 87983 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.002 | 0.598 | (1;110) | ✔ | 07/10/16 |
SrB6 | ICSD | 50313 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.0 | 0.002 | 0.010 | (1;111) | ✗ | 06/10/16 |
Ca3SiBr2 | ICSD | 89541 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.002 | 0.536 | (1;000) | ✔ | 05/12/16 |
CaPAu | COD | 1510061 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.059 | (1;000) | ✗ | 05/01/17 |
NO | ICSD | 27871 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.002 | 0.048 | (0;010) | ✔ | 27/01/17 |
Ca(HO)4 | COD | 2101033 | P6/mmm (191) | ✔ | 9 | 38 | 1 | 0.0 | 0.002 | 0.764 | (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 |
Ga4Fe3 | COD | 2106579 | C2/m (12) | ✔ | 21 | 228 | 3 | 0.0 | 0.002 | 0.602 | (1;111) | ✗ | 07/08/17 |
CN | COD | 2000225 | C2/c (15) | ✔ | 24 | 108 | 1 | 0.0 | 0.002 | 0.461 | (0;110) | ✗ | 04/08/17 |
NaFeO2 | COD | 1009034 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.002 | 0.324 | (0;101) | ✔ | 11/04/17 |
Pd4Se | ICSD | 23864 | P-42_1c (114) | ✗ | 10 | 156 | 3 | 0.0 | 0.002 | 0.320 | ? | ✗ | 04/08/17 |
CsVF4 | ICSD | 167354 | Pmmn (59) | ✔ | 24 | 200 | 2 | 0.0 | 0.002 | 0.402 | (0;000) | ✗ | 04/08/17 |
N2 | COD | 9014232 | Pmna (53) | ✔ | 16 | 80 | 1 | 0.0 | 0.002 | 0.369 | (1;100) | ✗ | 02/02/17 |
Ge3Mo5C | ICSD | 42922 | P6_3/mcm (193) | ✔ | 18 | 172 | 3 | 0.0 | 0.002 | 0.844 | (0;000) | ✗ | 02/02/17 |
Zr9Pt11 | COD | 1522663 | I4/m (87) | ✔ | 20 | 146 | 3 | 0.0 | 0.002 | 0.376 | (0;111) | ✗ | 02/02/17 |
SrInPt | ICSD | 410704 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.002 | 0.840 | (0;011) | ✗ | 02/02/17 |
YSeF | ICSD | 2635 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.002 | 0.018 | (1;000) | ✗ | 02/02/17 |
Ba3CaIr2O9 | ICSD | 246280 | P-3m1 (164) | ✔ | 15 | 128 | 3 | 0.0 | 0.002 | 0.470 | (0;001) | ✗ | 02/02/17 |
CsNiPdF5 | ICSD | 74288 | Imma (74) | ✔ | 16 | 144 | 3 | 0.0 | 0.002 | 0.251 | (0;111) | ✗ | 02/02/17 |
TlPd2 | ICSD | 649055 | Pnma (62) | ✔ | 12 | 196 | 3 | 0.0 | 0.002 | 0.554 | (0;011) | ✗ | 02/02/17 |
MnBr2 | ICSD | 67517 | Fd-3m (227) | ✔ | 12 | 116 | 3 | 0.0 | 0.002 | 0.320 | (0;000) | ✗ | 02/02/17 |
Zr(MnGe)6 | COD | 1521308 | P6/mmm (191) | ✔ | 13 | 118 | 3 | 0.0 | 0.002 | 0.706 | (1;000) | ✗ | 27/01/17 |
Mo | ICSD | 45000 | P6/mmm (191) | ✔ | 1 | 14 | 3 | 0.0 | 0.002 | 0.500 | (1;001) | ✗ | 27/01/17 |
V4Zn5 | COD | 1528038 | I4/mmm (139) | ✔ | 9 | 112 | 3 | 0.0 | 0.002 | 0.859 | (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 |
ZnPd5Se | ICSD | 648846 | P4/mmm (123) | ✔ | 7 | 108 | 3 | 0.0 | 0.002 | 0.520 | (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 |
MnH2SeO5 | ICSD | 66746 | C2/c (15) | ✔ | 18 | 106 | 3 | 0.0 | 0.002 | 0.362 | (1;010) | ✗ | 02/02/17 |
RbBi | ICSD | 9787 | Pmmn (59) | ✔ | 4 | 48 | 1 | 0.0 | 0.002 | 0.246 | (0;000) | ✗ | 02/02/17 |
Hf(MnSn)6 | ICSD | 54931 | P6/mmm (191) | ✔ | 13 | 186 | 3 | 0.0 | 0.002 | 0.639 | (0;001) | ✗ | 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 |
Mg2Au | COD | 1510233 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.002 | 0.777 | (0;011) | ✗ | 02/02/17 |
Ti5Si3 | ICSD | 168415 | P6_3/mcm (193) | ✔ | 16 | 144 | 3 | 0.0 | 0.002 | 0.563 | (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 |
Y5Si3H | ICSD | 638464 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.002 | 0.618 | (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 |
CsCu2F6 | ICSD | 62032 | Imma (74) | ✔ | 18 | 146 | 3 | 0.0 | 0.002 | 0.256 | (1;101) | ✗ | 02/02/17 |
NaNiF3 | COD | 1521771 | Pnma (62) | ✔ | 20 | 160 | 3 | 0.0 | 0.002 | 0.181 | (0;000) | ✗ | 02/02/17 |
SrNbO3 | COD | 1521114 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.002 | 0.636 | (0;110) | ✗ | 02/02/17 |
Y5Sb3 | ICSD | 651739 | P6_3/mcm (193) | ✔ | 16 | 140 | 3 | 0.0 | 0.002 | 0.551 | (0;000) | ✗ | 02/02/17 |
Pb | ICSD | 36296 | P4_2/mbc (135) | ✔ | 12 | 168 | 2 | 0.0 | 0.002 | 0.522 | (0;000) | ✗ | 02/02/17 |
PdPtF6 | ICSD | 64661 | R-3 (148) | ✔ | 8 | 70 | 3 | 0.0 | 0.002 | 0.265 | (0;000) | ✗ | 27/01/17 |
NbTe4Ir | ICSD | 656451 | Pmn2_1 (31) | ✗ | 24 | 216 | 2 | 0.0 | 0.002 | 0.162 | ? | ✗ | 04/08/17 |
W3O10 | COD | 9014468 | Fmm2 (42) | ✗ | 13 | 144 | 3 | 0.0 | 0.002 | 0.261 | (0;010) | ✔ | 24/04/17 |
Na4FeO3 | COD | 1527544 | Cc (9) | ✗ | 16 | 124 | 3 | 0.0 | 0.002 | 0.154 | (0;000) | ✔ | 22/03/17 |
TaTe4Ir | ICSD | 73322 | Pmn2_1 (31) | ✗ | 24 | 216 | 2 | 0.0 | 0.002 | 0.132 | ? | ✗ | 04/08/17 |
Te2Au | COD | 1011091 | Pma2 (28) | ✗ | 24 | 184 | 3 | 0.0 | 0.002 | 0.593 | ? | ✗ | 04/08/17 |
Ga2NiCl8 | ICSD | 417870 | C2/c (15) | ✔ | 22 | 184 | 2 | 0.0 | 0.002 | 0.192 | (1;000) | ✗ | 07/08/17 |
SiO2 | ICSD | 154321 | P2_1 (4) | ✗ | 12 | 64 | 1 | 0.0 | 0.002 | 0.694 | ? | ✗ | 29/03/17 |
CdCu2 | ICSD | 150582 | P6_3/mmc (194) | ✔ | 24 | 272 | 3 | 0.0 | 0.002 | 0.824 | (0;000) | ✗ | 04/08/17 |
MnSnO3 | COD | 1004021 | R-3 (148) | ✔ | 10 | 94 | 3 | 0.0 | 0.002 | 0.322 | (0;111) | ✗ | 27/01/17 |
CaNi5 | ICSD | 619447 | P6/mmm (191) | ✔ | 6 | 60 | 3 | 0.0 | 0.002 | 0.538 | (1;001) | ✗ | 27/01/17 |
TaFe2 | ICSD | 633784 | P6_3/mmc (194) | ✔ | 12 | 116 | 3 | 0.0 | 0.002 | 0.422 | (0;000) | ✗ | 27/01/17 |
Cr2GaN | ICSD | 53124 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.002 | 0.652 | (0;000) | ✗ | 27/01/17 |
LiMnTe2 | ICSD | 110773 | P3m1 (156) | ✗ | 4 | 30 | 1 | 0.0 | 0.002 | 0.716 | (1;100) | ✔ | 06/10/16 |
WO2 | ICSD | 647647 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.002 | 0.158 | (0;000) | ✗ | 27/01/17 |
Ti5Al2C3 | ICSD | 187748 | R3m (160) | ✗ | 10 | 78 | 3 | 0.0 | 0.002 | 0.953 | ? | ✗ | 06/10/16 |
FeNi | COD | 9010017 | P4/mmm (123) | ✔ | 2 | 18 | 3 | 0.0 | 0.002 | 0.583 | (1;001) | ✗ | 27/01/17 |
Zr2NiAs2 | ICSD | 68141 | P6_3/mmc (194) | ✔ | 10 | 56 | 3 | 0.0 | 0.002 | 0.296 | (0;000) | ✗ | 05/01/17 |
Ca3Zn | ICSD | 184359 | Cmcm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.002 | 0.471 | (1;110) | ✗ | 02/02/17 |
NaFeAs | ICSD | 163143 | P4/nmm (129) | ✔ | 6 | 44 | 1 | 0.0 | 0.002 | 0.460 | (1;001) | ✗ | 05/01/17 |
Fe6Ge5 | ICSD | 23471 | C2/m (12) | ✔ | 22 | 136 | 3 | 0.0 | 0.002 | 0.356 | (1;110) | ✗ | 04/08/17 |
Al4SiC4 | ICSD | 606255 | P6_3mc (186) | ✗ | 18 | 64 | 3 | 0.0 | 0.002 | 0.493 | ? | ✗ | 21/03/17 |
Bi2PdO4 | COD | 2002219 | I4cm (108) | ✗ | 14 | 144 | 3 | 0.0 | 0.002 | 0.167 | (0;000) | ✔ | 13/04/17 |
NbFeGe | ICSD | 632070 | Ima2 (46) | ✗ | 18 | 150 | 3 | 0.0 | 0.002 | 0.622 | ? | ✗ | 22/03/17 |
Cr3SiNi2 | ICSD | 53197 | Fd-3m (227) | ✔ | 24 | 264 | 3 | 26.3107 | 0.002 | 1.000 | (0;000) | ✗ | 07/08/17 |
Ba3(LiAs)4 | COD | 2008761 | Immm (71) | ✔ | 11 | 62 | 1 | 0.0 | 0.002 | 0.021 | (0;000) | ✗ | 21/03/17 |
Cu2P2O7 | COD | 9007764 | C2/c (15) | ✔ | 22 | 148 | 3 | 0.0 | 0.002 | 0.230 | (0;110) | ✗ | 07/08/17 |
VO2 | ICSD | 51214 | I4/m (87) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.925 | (0;000) | ✗ | 27/01/17 |
YZnPd | ICSD | 183334 | Pnma (62) | ✔ | 12 | 164 | 3 | 0.0 | 0.002 | 0.947 | (0;011) | ✗ | 02/02/17 |
YAlAu | ICSD | 602610 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.848 | (0;011) | ✗ | 30/01/17 |
ZrMn2 | ICSD | 643938 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.002 | 0.892 | (0;000) | ✗ | 27/01/17 |
KMnCl3 | ICSD | 173939 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.002 | 0.327 | (0;110) | ✗ | 02/02/17 |
Ag3PO4 | ICSD | 31078 | Pm-3n (223) | ✔ | 16 | 124 | 3 | 0.0 | 0.002 | 0.391 | (0;000) | ✗ | 30/01/17 |
YNiSn | COD | 1523634 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.002 | 0.726 | (0;011) | ✗ | 02/02/17 |
NbCo2Sn | ICSD | 190616 | Pmma (51) | ✔ | 16 | 244 | 3 | 0.0 | 0.002 | 0.708 | (0;100) | ✗ | 02/02/17 |
Sr5Ge3 | COD | 8101451 | I4/mcm (140) | ✔ | 16 | 124 | 1 | 0.0 | 0.002 | 0.636 | (1;000) | ✗ | 02/02/17 |
MgVO3 | COD | 1527260 | Cmmm (65) | ✔ | 10 | 82 | 3 | 0.0 | 0.002 | 0.420 | (0;001) | ✗ | 27/01/17 |