▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PdF2 | COD | 2310524 | P4_2/mnm (136) | ✔ | 6 | 64 | 3 | 0.0 | 0.058 | 0.500 | (0;000) | ✗ | 27/01/17 |
MnGaGe | ICSD | 634255 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.012 | 0.201 | (0;001) | ✗ | 27/01/17 |
BaMg(CO3)2 | COD | 9011458 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.0954 | 4.178 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMg(CO3)2 | COD | 1200014 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1415 | 5.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMg(CO3)2 | COD | 9001415 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1156 | 5.545 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrPdF6 | ICSD | 73133 | R-3 (148) | ✔ | 8 | 64 | 3 | 0.0 | 0.000 | 0.785 | (0;000) | ✗ | 27/01/17 |
SbS2NF6 | ICSD | 170871 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5886 | 2.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2SiF6 | COD | 1010285 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 6.2138 | 6.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2ZrF6 | ICSD | 25597 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 5.8234 | 5.823 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc(AlC)3 | ICSD | 660402 | P6_3/mmc (194) | ✔ | 14 | 64 | 3 | 0.0 | 1.377 | 0.021 | (0;000) | ✗ | 27/01/17 |
Y(AlC)3 | ICSD | 606289 | P6_3/mmc (194) | ✔ | 14 | 64 | 3 | 0.0 | 1.042 | 0.030 | (0;000) | ✗ | 27/01/17 |
HfNi2 | COD | 1522692 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.004 | 0.403 | (0;000) | ✗ | 27/01/17 |
Mg2C3 | ICSD | 71941 | Pnnm (58) | ✔ | 10 | 64 | 3 | 1.6804 | 2.671 | 0.000 | (0;000) | ✗ | 27/01/17 |
C3N4 | ICSD | 41950 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.2842 | 3.578 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb4C3 | ICSD | 42758 | Pm-3m (221) | ✔ | 7 | 64 | 3 | 0.0 | 0.018 | 0.594 | (1;111) | ✗ | 27/01/17 |
ZrFeGe | ICSD | 632166 | Pnma (62) | ✔ | 12 | 64 | 3 | 0.0 | 0.084 | 0.291 | (0;000) | ✗ | 27/01/17 |
YCuP2 | COD | 1531280 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.007 | 0.353 | (1;000) | ✗ | 27/01/17 |
K2Sn2O3 | ICSD | 2216 | R3 (146) | ✗ | 7 | 64 | 2 | 0.8749 | 0.875 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiGePd | ICSD | 87913 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.022 | 0.282 | (1;000) | ✗ | 27/01/17 |
CaTiF6 | COD | 1533036 | R-3m (166) | ✔ | 8 | 64 | 3 | 3.9477 | 3.948 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdCl2 | ICSD | 421220 | P2/m (10) | ✔ | 6 | 64 | 1 | 0.7541 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdCl2 | ICSD | 421221 | P2_1/c (14) | ✔ | 6 | 64 | 2 | 0.6974 | 1.132 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaCo3 | COD | 1525075 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.599 | (1;000) | ✗ | 27/01/17 |
RbCuO2 | COD | 1527506 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.9467 | 1.340 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNO3 | COD | 2310364 | R-3c (167) | ✔ | 10 | 64 | 2 | 3.1867 | 3.486 | 0.000 | (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 |
Si3Pt2 | ICSD | 77974 | P6_3/mmc (194) | ✔ | 10 | 64 | 3 | 0.0 | 0.012 | 0.767 | (1;000) | ✗ | 27/01/17 |
GeO2 | COD | 1525833 | Pbcn (60) | ✔ | 12 | 64 | 3 | 0.0 | 0.023 | 0.046 | (0;000) | ✗ | 27/01/17 |
NiCO3 | COD | 9007712 | R-3c (167) | ✔ | 10 | 64 | 3 | 0.0 | 0.009 | 0.110 | (0;000) | ✗ | 27/01/17 |
GeO2 | COD | 1525835 | Pa3 (205) | ✔ | 12 | 64 | 3 | 3.8052 | 3.805 | 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 |
TiSi | ICSD | 168416 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.019 | 0.091 | (1;000) | ✗ | 27/01/17 |
ZrSi | ICSD | 16771 | Pmnb (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.016 | 0.194 | (1;000) | ✗ | 06/10/16 |
CaCO3 | ICSD | 161621 | Pmmn (59) | ✔ | 10 | 64 | 1 | 4.485 | 4.872 | 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 |
CaCO3 | COD | 9000969 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1595 | 5.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 4124078 | Fddd (70) | ✔ | 12 | 64 | 3 | 5.8964 | 5.896 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbNO3 | COD | 2106532 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.2649 | 3.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta2Se | ICSD | 65739 | P4/nmm (129) | ✔ | 6 | 64 | 2 | 0.0 | 0.026 | 0.233 | (0;000) | ✗ | 27/01/17 |
Sr4S3O | ICSD | 165967 | Pm-3m (221) | ✔ | 8 | 64 | 1 | 2.1198 | 2.120 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2GeAs2 | COD | 1008520 | Ibam (72) | ✔ | 10 | 64 | 1 | 0.8312 | 0.962 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2SiAs2 | ICSD | 40426 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0103 | 1.409 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2SiAs2 | ICSD | 60617 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0031 | 1.379 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZrW2 | ICSD | 653438 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.646 | (0;000) | ✗ | 27/01/17 |
MgAl2 | ICSD | 608412 | I4_1/amd (141) | ✔ | 12 | 64 | 3 | 0.0 | 0.016 | 0.882 | (1;111) | ✗ | 30/01/17 |
AgN | COD | 8103398 | Cmce (64) | ✔ | 8 | 64 | 1 | 0.0 | 0.001 | 0.419 | (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 |
C | COD | 9012233 | Pcca (54) | ✔ | 16 | 64 | 2 | 0.0 | 0.002 | 0.513 | (1;001) | ✗ | 27/01/17 |
CF4 | ICSD | 65786 | C2/c (15) | ✔ | 10 | 64 | 1 | 9.3762 | 9.446 | 0.000 | (0;000) | ✗ | 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 |
RbScO2 | ICSD | 31960 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.3665 | 3.766 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ti2GeC | ICSD | 42921 | P6_3/mmc (194) | ✔ | 8 | 64 | 3 | 0.0 | 0.016 | 0.634 | (1;000) | ✗ | 27/01/17 |
Si3P2Pt | ICSD | 84944 | P1 (1) | ✗ | 12 | 64 | 3 | 0.6365 | 1.195 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsCuO2 | COD | 1527507 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.9188 | 1.187 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuGeO3 | COD | 1528527 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.683 | (1;010) | ✗ | 27/01/17 |
Mo2N | ICSD | 30593 | I4_1/amd (141) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.793 | (1;111) | ✗ | 02/02/17 |
Al8Mo3 | ICSD | 58001 | C2/m (12) | ✔ | 11 | 66 | 3 | 0.0 | 0.000 | 0.060 | (0;000) | ✔ | 04/10/16 |
YNiGe3 | ICSD | 60646 | Cmmm (65) | ✔ | 10 | 66 | 3 | 0.0 | 0.005 | 0.846 | (1;001) | ✗ | 27/01/17 |
InNi2 | ICSD | 640098 | P6_3/mmc (194) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.976 | (1;000) | ✗ | 27/01/17 |
K3MnO4 | ICSD | 108935 | I-42m (121) | ✗ | 8 | 66 | 3 | 1.2787 | 0.017 | 1.000 | (0;000) | ✗ | 07/10/16 |
KHg2 | COD | 2310180 | Imma (74) | ✔ | 6 | 66 | 3 | 0.0 | 0.001 | 0.655 | (0;100) | ✗ | 27/01/17 |
ScSi3Ni | ICSD | 41832 | Cm2m (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.006 | 0.787 | ? | ✗ | 06/10/16 |
ScSi3Ni | ICSD | 41833 | Cm2m (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.007 | 0.782 | ? | ✗ | 06/10/16 |
ScCo3C | ICSD | 76793 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.214 | (0;111) | ✗ | 27/01/17 |
ScSi3Ni | ICSD | 646478 | Cm2m (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.003 | 0.782 | ? | ✗ | 06/10/16 |
CdPb2(ClO)2 | ICSD | 168248 | C2/m (12) | ✔ | 7 | 66 | 2 | 2.2796 | 2.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsReF6 | COD | 1530107 | R-3 (148) | ✔ | 8 | 66 | 1 | 0.0 | 0.001 | 0.032 | (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 |
BNCl2 | ICSD | 14276 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3764 | 2.454 | 0.000 | (0;000) | ✗ | 06/10/16 |
BNCl2 | ICSD | 27255 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3231 | 2.367 | 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 |
AgPPt5 | ICSD | 605633 | P4/mmm (123) | ✔ | 7 | 66 | 3 | 0.0 | 0.001 | 0.756 | (1;110) | ✗ | 05/01/17 |
YCu2 | COD | 2310298 | Imma (74) | ✔ | 6 | 66 | 3 | 0.0 | 0.001 | 0.694 | (0;100) | ✗ | 27/01/17 |
Ca(Al2Fe)4 | ICSD | 606314 | I4/mmm (139) | ✔ | 13 | 66 | 3 | 0.0 | 0.002 | 0.762 | (0;000) | ✗ | 05/01/17 |
Al8Mo3 | ICSD | 58002 | C2/m (12) | ✔ | 11 | 66 | 3 | 0.0 | 0.020 | 0.060 | (0;000) | ✗ | 05/01/17 |
TlFeO2 | ICSD | 29011 | R-3m (166) | ✔ | 8 | 66 | 3 | 0.0 | 0.007 | 0.271 | (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 |
TlFeS2 | COD | 9011992 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.0 | 0.017 | 0.290 | (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 |
TiI3 | ICSD | 422870 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.009 | 0.345 | (0;000) | ✔ | 06/10/16 |
Fe(RhSe2)2 | ICSD | 603354 | C2/m (12) | ✔ | 7 | 66 | 3 | 0.0 | 0.015 | 0.586 | (1;111) | ✗ | 27/01/17 |
ZrI3 | ICSD | 74648 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.085 | 0.322 | (0;000) | ✔ | 06/10/16 |
NiPS3 | ICSD | 646133 | C2/m (12) | ✔ | 10 | 66 | 2 | 0.0 | 0.006 | 0.203 | (0;000) | ✗ | 27/01/17 |
YAl4Ni | ICSD | 608951 | Cmcm (63) | ✔ | 12 | 66 | 3 | 0.0 | 0.000 | 0.918 | (1;000) | ✗ | 30/01/17 |
CuGeO3 | COD | 1520902 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.935 | (0;100) | ✗ | 27/01/17 |
Sc2AlSi2 | ICSD | 52653 | P4/mbm (127) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.847 | (1;111) | ✗ | 05/01/17 |
Ba2Mn2As2O | ICSD | 75454 | C2/m (12) | ✔ | 7 | 66 | 1 | 0.0 | 0.012 | 0.629 | (0;111) | ✗ | 05/01/17 |
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 |
CuCO3 | COD | 9000104 | R-3c (167) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.632 | (0;000) | ✗ | 27/01/17 |
YCu5 | COD | 2310320 | P6/mmm (191) | ✔ | 6 | 66 | 3 | 0.0 | 0.003 | 0.700 | (0;001) | ✗ | 27/01/17 |
ReO3 | ICSD | 77680 | P4/mbm (127) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.791 | (0;110) | ✗ | 27/01/17 |
Cr2As | COD | 9008330 | P4/nmm (129) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.594 | (0;001) | ✗ | 05/01/17 |
NbBr2O | ICSD | 416669 | C2 (5) | ✗ | 8 | 66 | 2 | 0.7552 | 0.860 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li8Pb3 | ICSD | 15694 | R-3m (166) | ✔ | 11 | 66 | 1 | 0.0 | 0.155 | 0.632 | (1;111) | ✔ | 06/10/16 |
SrCoO | ICSD | 155223 | P6_3/mmc (194) | ✔ | 6 | 66 | 1 | 0.0 | 0.000 | 0.673 | (1;000) | ✗ | 27/01/17 |
MnVAs | COD | 1008988 | P4/nmm (129) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 05/01/17 |
FeSn | COD | 1523159 | P6/mmm (191) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.922 | (1;000) | ✗ | 27/01/17 |
SrAsPd | ICSD | 404723 | P6_3/mmc (194) | ✔ | 6 | 66 | 2 | 0.0 | 0.000 | 0.896 | (0;000) | ✗ | 05/01/17 |
MnAl6 | ICSD | 57972 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 0.617 | (1;000) | ✗ | 30/01/17 |