▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs2Mn3S4 | ICSD | 65255 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.747 | (1;100) | ✗ | 22/03/17 |
NaCu3F7 | COD | 1000232 | C2/c (15) | ✔ | 22 | 182 | 3 | 0.0 | 0.000 | 0.650 | (1;011) | ✗ | 07/08/17 |
NaMn7O12 | COD | 1530350 | Im3 (204) | ✔ | 20 | 186 | 3 | 11.0368 | 0.000 | 1.000 | (0;000) | ✗ | 29/03/17 |
CsICl2 | COD | 1010073 | R-3m (166) | ✔ | 4 | 30 | 1 | 0.0 | 0.000 | 0.740 | (1;111) | ✗ | 22/03/17 |
K6CoS4 | ICSD | 68603 | P6_3mc (186) | ✗ | 22 | 190 | 1 | 0.0 | 0.000 | 0.534 | ? | ✗ | 07/08/17 |
NaCu5S3 | ICSD | 61514 | P6_322 (182) | ✗ | 18 | 164 | 3 | 0.0 | 0.000 | 0.127 | ? | ✗ | 04/08/17 |
Nb3Al2N | ICSD | 60644 | P4_132 (213) | ✗ | 24 | 200 | 3 | 0.0 | 0.000 | 0.427 | ? | ✗ | 04/08/17 |
Mg3Pt | ICSD | 54253 | P6_3cm (185) | ✗ | 24 | 240 | 3 | 0.0 | 0.000 | 0.639 | ? | ✗ | 04/08/17 |
Sr3Cr2O8 | COD | 2002131 | R-3m (166) | ✔ | 13 | 106 | 1 | 0.0 | 0.000 | 0.246 | (1;111) | ✗ | 22/03/17 |
NO2 | COD | 1010516 | I2_13 (199) | ✗ | 18 | 102 | 3 | 0.0 | 0.000 | 0.859 | ? | ✗ | 29/03/17 |
Al4Cu2O7 | COD | 2002328 | F-43m (216) | ✗ | 13 | 76 | 3 | 0.0 | 0.000 | 0.247 | (1;000) | ✔ | 26/04/17 |
KNiAu3(CN)6 | ICSD | 249724 | P312 (149) | ✗ | 17 | 106 | 3 | 0.0 | 0.000 | 0.677 | ? | ✗ | 21/03/17 |
CrAsO4 | ICSD | 62132 | Pnma (62) | ✔ | 24 | 172 | 3 | 0.0 | 0.000 | 0.670 | (0;101) | ✗ | 04/08/17 |
Li2Sb | COD | 7221229 | P-62c (190) | ✗ | 18 | 66 | 1 | 0.0 | 0.000 | 0.835 | ? | ✗ | 29/03/17 |
Cs2Mn3Te4 | COD | 2006421 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.635 | (0;001) | ✗ | 22/03/17 |
Sr4IrO6 | ICSD | 72926 | R-3c (167) | ✔ | 22 | 186 | 1 | 0.0 | 0.000 | 0.278 | (0;000) | ✗ | 07/08/17 |
V2ZnO4 | COD | 9012331 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.000 | 0.451 | (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 |
CuO | COD | 9015924 | C2/c (15) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.506 | (1;100) | ✗ | 27/01/17 |
ZrRh | COD | 1523940 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.489 | (1;011) | ✗ | 27/01/17 |
NaPt2 | COD | 2020042 | Fd-3m (227) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.684 | (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 |
SrHg2 | COD | 1523858 | P6/mmm (191) | ✔ | 3 | 34 | 3 | 0.0 | 0.000 | 0.533 | (0;000) | ✗ | 27/01/17 |
TiSe2 | COD | 1010276 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 0.0 | 0.000 | 0.273 | (1;000) | ✗ | 27/01/17 |
MoN | ICSD | 106926 | Imma (74) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.816 | (1;110) | ✗ | 27/01/17 |
ReO2 | COD | 9009092 | Pbcn (60) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.364 | (0;011) | ✗ | 27/01/17 |
V2P | ICSD | 648278 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.593 | (0;011) | ✗ | 27/01/17 |
TaSe2 | COD | 2310532 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.841 | (0;001) | ✗ | 27/01/17 |
MoPRu | COD | 1532784 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.713 | (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 |
ZrPdF6 | ICSD | 73133 | R-3 (148) | ✔ | 8 | 64 | 3 | 0.0 | 0.000 | 0.785 | (0;000) | ✗ | 27/01/17 |
ZrPRu | ICSD | 648038 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.602 | (1;011) | ✗ | 27/01/17 |
BiPd | ICSD | 108171 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.836 | (1;000) | ✗ | 06/10/16 |
Al2CoO4 | ICSD | 290133 | Fd-3m (227) | ✔ | 14 | 94 | 3 | 0.0 | 0.000 | 0.270 | (0;000) | ✗ | 05/01/17 |
Al2Cu | COD | 9012196 | I4/mcm (140) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.914 | (1;000) | ✗ | 05/01/17 |
Al5Mo | COD | 1522873 | R-3c (167) | ✔ | 12 | 58 | 3 | 0.0 | 0.000 | 0.712 | (0;111) | ✗ | 05/01/17 |
FeBiO3 | ICSD | 168292 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.482 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 180503 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.518 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 184771 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.594 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 186583 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.535 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 187330 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.520 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 192992 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.547 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 237368 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.519 | ? | ✗ | 06/10/16 |
NiAsRh | ICSD | 601484 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.305 | (1;001) | ✗ | 05/01/17 |
CrSb2 | ICSD | 246891 | Pmnn (58) | ✔ | 6 | 48 | 3 | 0.0 | 0.000 | 0.365 | (1;101) | ✗ | 06/10/16 |
NbCo2 | COD | 1525052 | Fd-3m (227) | ✔ | 6 | 94 | 3 | 0.0 | 0.000 | 0.653 | (0;000) | ✗ | 27/01/17 |
SrSbAu | COD | 1510286 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.000 | 0.446 | (0;000) | ✗ | 05/01/17 |
YB2Ru | ICSD | 615399 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.441 | (1;011) | ✗ | 05/01/17 |
CrCoSi | ICSD | 622515 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.454 | (0;011) | ✗ | 27/01/17 |
Ba2Ni3 | ICSD | 423734 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.000 | 0.618 | (1;001) | ✗ | 05/01/17 |
Fe2CoO4 | ICSD | 184063 | Fd-3m (227) | ✔ | 14 | 114 | 3 | 0.0 | 0.000 | 0.611 | (0;000) | ✗ | 27/01/17 |
CoTe2 | COD | 9009790 | Pnnm (58) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.790 | (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 |
ZrCoSi | ICSD | 625144 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.626 | (1;011) | ✗ | 27/01/17 |
HfCr2 | ICSD | 626143 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.639 | (0;000) | ✗ | 27/01/17 |
TaCr2 | ICSD | 626867 | Fd-3m (227) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.868 | (0;000) | ✗ | 27/01/17 |
TiCr2 | ICSD | 102851 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.640 | (0;000) | ✗ | 27/01/17 |
Mn2B | COD | 1511237 | I4/mcm (140) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.530 | (1;111) | ✗ | 27/01/17 |
BMo2 | COD | 1511240 | I4/mcm (140) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.653 | (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 |
Be(B6C)2 | ICSD | 612548 | R-3m (166) | ✔ | 15 | 48 | 3 | 0.0 | 0.000 | 0.279 | (1;000) | ✗ | 27/01/17 |
PRu | ICSD | 109139 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.331 | (0;011) | ✗ | 27/01/17 |
ZrRh | ICSD | 105979 | Pmnb (62) | ✔ | 8 | 116 | 3 | 0.0 | 0.000 | 0.481 | (1;011) | ✗ | 06/10/16 |
CaNi2 | ICSD | 58915 | Fd-3m (227) | ✔ | 6 | 60 | 3 | 0.0 | 0.000 | 0.485 | (0;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 |
MnNiP | ICSD | 643091 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.659 | ? | ✗ | 06/10/16 |
Cr3AsC | ICSD | 609880 | Cmcm (63) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.980 | (0;001) | ✗ | 27/01/17 |
Nb2AsC | ICSD | 43011 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.779 | (0;001) | ✗ | 27/01/17 |
CoCO3 | COD | 9007713 | R-3c (167) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.698 | (1;100) | ✗ | 27/01/17 |
MgCu2 | COD | 1524810 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.731 | (0;000) | ✗ | 27/01/17 |
NiPbO3 | ICSD | 187686 | R3c (161) | ✗ | 10 | 84 | 3 | 0.0 | 0.000 | 0.338 | ? | ✗ | 06/10/16 |
Al(FeO2)2 | ICSD | 76977 | Fd-3m (227) | ✔ | 14 | 86 | 3 | 0.0 | 0.000 | 0.500 | (1;000) | ✗ | 05/01/17 |
MnCO3 | COD | 1011228 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
Co3O4 | COD | 9005896 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.106 | (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 |
YCrO4 | ICSD | 157934 | I4_1/a (88) | ✔ | 12 | 98 | 3 | 0.0 | 0.000 | 0.671 | (1;111) | ✗ | 27/01/17 |
YFe4(CuO4)3 | ICSD | 237749 | Im3 (204) | ✔ | 20 | 148 | 3 | 0.0 | 0.000 | 0.880 | (0;111) | ✗ | 27/01/17 |
Rb2NaVF6 | ICSD | 27346 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.478 | (0;000) | ✗ | 27/01/17 |
VNiGe | ICSD | 637435 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.349 | (1;011) | ✗ | 27/01/17 |
Si(NF3)2 | COD | 9008033 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.000 | 0.137 | (0;000) | ✗ | 27/01/17 |
Fe3Sn | ICSD | 633746 | P6_3/mmc (194) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.559 | (1;000) | ✗ | 27/01/17 |
Mn2Ga2S5 | ICSD | 634664 | P-3m1 (164) | ✔ | 9 | 86 | 2 | 0.0 | 0.000 | 0.324 | (0;000) | ✗ | 27/01/17 |
TiNiP | ICSD | 646165 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.334 | (1;011) | ✗ | 27/01/17 |
VO2 | COD | 9000071 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.650 | (1;011) | ✗ | 27/01/17 |
NbSe2 | COD | 9014575 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.905 | (0;000) | ✗ | 27/01/17 |
VPO4F | ICSD | 183878 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.779 | (1;100) | ✗ | 27/01/17 |
MnNiGe | ICSD | 41920 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.473 | (1;011) | ✗ | 27/01/17 |
Cr2Co | ICSD | 27507 | Fd-3m (227) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.525 | (0;000) | ✗ | 27/01/17 |
Fe5Si2B | ICSD | 614184 | I4/mcm (140) | ✔ | 16 | 102 | 3 | 0.0 | 0.000 | 0.783 | (1;111) | ✗ | 05/01/17 |
Cs2TlVF6 | ICSD | 27343 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 0.0 | 0.000 | 0.144 | (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 |
VCoP | ICSD | 624659 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.439 | (1;011) | ✗ | 27/01/17 |
CrFeP | COD | 9013159 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.432 | (0;011) | ✗ | 27/01/17 |
CsFeCl4 | COD | 1527810 | Pnma (62) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.545 | (1;011) | ✗ | 04/08/17 |
Mg3(PO8)2 | COD | 9001027 | C2/m (12) | ✔ | 21 | 136 | 2 | 0.0 | 0.000 | 0.439 | (1;111) | ✗ | 07/08/17 |
H7O4 | COD | 9015632 | Ibam (72) | ✔ | 22 | 62 | 2 | 0.0 | 0.000 | 0.810 | (1;111) | ✗ | 04/08/17 |
Co3Sn2 | ICSD | 625259 | Pnma (62) | ✔ | 20 | 316 | 3 | 0.0 | 0.000 | 0.520 | (1;011) | ✗ | 02/02/17 |
Ag3Hg4 | COD | 5910050 | Im-3m (229) | ✔ | 14 | 162 | 3 | 0.0 | 0.000 | 0.571 | (1;111) | ✗ | 30/01/17 |
CsHg2 | ICSD | 408695 | Imma (74) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.434 | (0;011) | ✗ | 02/02/17 |
NaNbO2F | ICSD | 38636 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.741 | (0;110) | ✗ | 02/02/17 |