▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HfFeP | ICSD | 86280 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.589 | (1;011) | ✗ | 27/01/17 |
Ag2S | COD | 4329107 | P2_1/c (14) | ✔ | 12 | 112 | 3 | 0.0315 | 0.032 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca2Cu | ICSD | 108865 | Pnma (62) | ✔ | 12 | 124 | 1 | 0.0 | 0.000 | 0.526 | (1;011) | ✗ | 02/02/17 |
CsAg3Se2 | COD | 1509996 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.1996 | 0.200 | 0.000 | (0;000) | ✗ | 30/01/17 |
CoAs2 | COD | 9012076 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.0 | 0.179 | 0.012 | (0;000) | ✗ | 05/01/17 |
CsAg3S2 | COD | 1509993 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.4373 | 0.437 | 0.000 | (0;000) | ✗ | 30/01/17 |
Li3FeN2 | ICSD | 68523 | Ibam (72) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.662 | (0;011) | ✗ | 27/01/17 |
Zr4CoP | ICSD | 624677 | P4/mcc (124) | ✔ | 12 | 76 | 3 | 0.0 | 0.002 | 0.364 | (0;110) | ✗ | 02/02/17 |
Ca2Hg | ICSD | 619362 | Pnma (62) | ✔ | 12 | 128 | 1 | 0.0 | 0.034 | 0.604 | (1;000) | ✗ | 02/02/17 |
SnO2 | ICSD | 56677 | Pa3 (205) | ✔ | 12 | 104 | 3 | 2.2532 | 2.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
H2C3S | COD | 4323536 | Cmcm (63) | ✔ | 12 | 40 | 1 | 0.0 | 0.002 | 0.627 | (1;110) | ✗ | 02/02/17 |
Nb4FeP | ICSD | 632795 | P4/mcc (124) | ✔ | 12 | 130 | 3 | 0.0 | 0.000 | 0.873 | (0;110) | ✗ | 27/01/17 |
Ca2Ge | ICSD | 44854 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3479 | 0.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbFeSi | ICSD | 632827 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.330 | (1;011) | ✗ | 27/01/17 |
PH2C3 | COD | 4323537 | Cmcm (63) | ✔ | 12 | 38 | 1 | 0.0 | 0.000 | 0.807 | (1;000) | ✗ | 02/02/17 |
KAg3Se2 | COD | 8103421 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.0 | 0.023 | 0.017 | (0;000) | ✗ | 30/01/17 |
KAg3Te2 | ICSD | 402230 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.156 | 0.174 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca2Sn | ICSD | 58935 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1234 | 0.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeMoP | ICSD | 632646 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.423 | (0;011) | ✗ | 27/01/17 |
Ca2In | ICSD | 413803 | Pnma (62) | ✔ | 12 | 132 | 1 | 0.0 | 0.001 | 0.486 | (0;011) | ✗ | 02/02/17 |
Ca2Si | ICSD | 191034 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3204 | 0.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAg3Te2 | COD | 8103422 | C2/m (12) | ✔ | 12 | 108 | 3 | 0.0 | 0.042 | 0.025 | (1;000) | ✗ | 30/01/17 |
NiAs2 | COD | 9012502 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.013 | 0.319 | (0;000) | ✗ | 05/01/17 |
NbFeP | ICSD | 632794 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.138 | (0;000) | ✗ | 27/01/17 |
Ca2Pb | ICSD | 58920 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0 | 0.069 | 0.004 | (0;000) | ✗ | 02/02/17 |
BC5 | ICSD | 166556 | P-1 (2) | ✔ | 12 | 46 | 3 | 0.0 | 0.084 | 0.417 | (1;110) | ✗ | 06/10/16 |
NbFeO4 | COD | 2002236 | C2/m (12) | ✔ | 12 | 90 | 3 | 0.0 | 0.016 | 0.836 | (0;000) | ✗ | 27/01/17 |
Ta2Fe | ICSD | 632739 | P6_3/mcm (193) | ✔ | 12 | 136 | 3 | 0.0 | 0.005 | 0.257 | (0;000) | ✗ | 02/02/17 |
FeTe2 | ICSD | 633869 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0324 | 0.108 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbFeO4 | COD | 2002235 | P2/c (13) | ✔ | 12 | 90 | 3 | 0.0 | 0.000 | 0.459 | (0;010) | ✗ | 27/01/17 |
V2H | ICSD | 61422 | I4_1/amd (141) | ✔ | 12 | 108 | 3 | 0.0 | 0.003 | 0.756 | (1;111) | ✗ | 27/01/17 |
Nb4FeSi | ICSD | 53511 | P4/mcc (124) | ✔ | 12 | 128 | 3 | 0.0 | 0.001 | 0.527 | (0;110) | ✗ | 27/01/17 |
Ta2Co | ICSD | 654790 | P6_3/mcm (193) | ✔ | 12 | 172 | 3 | 0.0 | 0.004 | 0.518 | (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 |
VO2 | COD | 9000071 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.650 | (1;011) | ✗ | 27/01/17 |
RbAg3Se2 | COD | 1510035 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.0425 | 0.043 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbAg3S2 | COD | 1510034 | C2/m (12) | ✔ | 12 | 108 | 1 | 1.236 | 1.446 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbAg3Te2 | COD | 1510038 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2065 | 0.207 | 0.000 | (0;000) | ✗ | 30/01/17 |
FeSO4 | ICSD | 23507 | Cmcm (63) | ✔ | 12 | 76 | 3 | 0.0 | 0.071 | 0.098 | (0;000) | ✗ | 27/01/17 |
K2CO3 | ICSD | 662 | C2/c (15) | ✔ | 12 | 80 | 1 | 3.5203 | 3.520 | 0.000 | (0;000) | ✗ | 27/01/17 |
VFeO4 | ICSD | 82161 | Cmcm (63) | ✔ | 12 | 90 | 3 | 0.0 | 0.000 | 0.500 | (0;000) | ✗ | 27/01/17 |
Ca3SnH2 | ICSD | 165615 | Cmcm (63) | ✔ | 12 | 92 | 1 | 0.133 | 0.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgAuCl4 | COD | 7209314 | C2/c (15) | ✔ | 12 | 100 | 2 | 0.8582 | 0.858 | 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 |
FeSiNi | ICSD | 165244 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.004 | 0.250 | (1;000) | ✗ | 27/01/17 |
YSF | COD | 1521891 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 2.5558 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3H2Pb | ICSD | 165616 | Cmcm (63) | ✔ | 12 | 92 | 1 | 0.0 | 0.005 | 0.020 | (0;000) | ✗ | 02/02/17 |
AgTe4Au | COD | 1509207 | P2/c (13) | ✔ | 12 | 92 | 3 | 0.0 | 0.183 | 0.035 | (0;000) | ✗ | 30/01/17 |
HfGa2 | COD | 1522868 | I4_1/amd (141) | ✔ | 12 | 152 | 3 | 0.0 | 0.032 | 0.505 | (1;111) | ✗ | 02/02/17 |
BiTePd | ICSD | 70060 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.727 | ? | ✗ | 06/10/16 |
BiAsO4 | COD | 9007425 | I4_1/a (88) | ✔ | 12 | 88 | 3 | 2.6084 | 2.614 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlAgSe | COD | 1509539 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.1396 | 0.436 | 0.000 | (0;000) | ✗ | 30/01/17 |
BiTePt | ICSD | 42549 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.739 | ? | ✗ | 06/10/16 |
BaYAgSe3 | ICSD | 104237 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.1764 | 1.489 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ti2C | ICSD | 77473 | Fd-3m (227) | ✔ | 12 | 112 | 3 | 0.0 | 0.012 | 0.367 | (0;000) | ✗ | 27/01/17 |
Cd2P3Br | ICSD | 100817 | Cc (9) | ✗ | 12 | 92 | 3 | 1.0294 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
IrS2 | ICSD | 640949 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.528 | (1;111) | ✗ | 27/01/17 |
HfCoAs | ICSD | 406953 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.026 | 0.019 | (1;000) | ✗ | 05/01/17 |
YSeF | ICSD | 2635 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.002 | 0.018 | (1;000) | ✗ | 02/02/17 |
MnCoAs | ICSD | 610084 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.503 | (1;011) | ✗ | 05/01/17 |
CoSe2 | COD | 9012536 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.786 | (1;111) | ✗ | 02/02/17 |
NbCoAs | ICSD | 610089 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.332 | (1;011) | ✗ | 05/01/17 |
FePO4 | ICSD | 155065 | Cmcm (63) | ✔ | 12 | 74 | 3 | 0.0 | 0.000 | 0.546 | (0;000) | ✗ | 27/01/17 |
CoAsRh | COD | 1008977 | Pnma (62) | ✔ | 12 | 156 | 3 | 0.0 | 0.001 | 0.466 | (1;011) | ✗ | 05/01/17 |
CoAsS | ICSD | 44607 | P2_1/c (14) | ✔ | 12 | 112 | 3 | 0.0 | 0.019 | 0.303 | (0;000) | ✗ | 05/01/17 |
FeO2 | COD | 9016406 | Pnma (62) | ✔ | 12 | 80 | 3 | 0.0 | 0.010 | 0.278 | (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 |
CaAgSb | COD | 1509165 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.155 | 0.115 | (0;000) | ✗ | 30/01/17 |
SbSBr | ICSD | 88587 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.6228 | 1.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca2Si3Ag | COD | 1509769 | Fmmm (69) | ✔ | 12 | 86 | 2 | 0.0 | 0.000 | 0.521 | (0;110) | ✗ | 30/01/17 |
ScCoSn | ICSD | 624977 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.007 | 0.218 | (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 |
MnCuAs | ICSD | 72413 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.258 | (1;011) | ✗ | 05/01/17 |
AsF5 | ICSD | 65477 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 5.6073 | 5.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsAgO | COD | 1509282 | I4/mmm (139) | ✔ | 12 | 104 | 3 | 2.1312 | 2.143 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na3Cd2IrO6 | COD | 2002775 | C2/m (12) | ✔ | 12 | 104 | 2 | 0.2796 | 0.306 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCoSn | ICSD | 601850 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.023 | 0.522 | (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 |
K2CO3 | ICSD | 52535 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 3.3215 | 3.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbInO4 | COD | 1524100 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.3256 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbFeAs | ICSD | 610502 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.128 | (0;000) | ✗ | 05/01/17 |
RbHfAgTe3 | ICSD | 402632 | P2_1/m (11) | ✔ | 12 | 100 | 3 | 0.0368 | 0.069 | 0.000 | (0;000) | ✗ | 30/01/17 |
FeAsSe | ICSD | 610526 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.0 | 0.021 | 0.461 | (1;010) | ✗ | 05/01/17 |
FeAsS | COD | 1010913 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.1573 | 0.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
TaFeAs | ICSD | 610528 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.025 | 0.154 | (0;000) | ✗ | 05/01/17 |
TaInO4 | COD | 4329321 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.8358 | 3.989 | 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 |
InPO4 | COD | 2310636 | Cmcm (63) | ✔ | 12 | 84 | 3 | 2.9447 | 3.247 | 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 |
MgAl2 | ICSD | 608412 | I4_1/amd (141) | ✔ | 12 | 64 | 3 | 0.0 | 0.016 | 0.882 | (1;111) | ✗ | 30/01/17 |
KAgO | COD | 1509421 | I4/mmm (139) | ✔ | 12 | 104 | 1 | 1.5553 | 1.666 | 0.000 | (0;000) | ✗ | 30/01/17 |
NaAgO | COD | 1509474 | I4/mmm (139) | ✔ | 12 | 104 | 3 | 1.3096 | 1.333 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na3AgS2 | COD | 1509476 | Ibam (72) | ✔ | 12 | 100 | 1 | 2.2573 | 2.527 | 0.000 | (0;000) | ✗ | 30/01/17 |
YGa4Ni | ICSD | 423074 | Cmcm (63) | ✔ | 12 | 146 | 3 | 0.0 | 0.000 | 0.909 | (1;110) | ✗ | 02/02/17 |
CaCl2 | ICSD | 56769 | Pbcn (60) | ✔ | 12 | 96 | 1 | 5.5921 | 5.702 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCdPd | ICSD | 426611 | Pnma (62) | ✔ | 12 | 160 | 3 | 0.0 | 0.030 | 0.494 | (1;000) | ✗ | 02/02/17 |
GeAs | ICSD | 610598 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.3183 | 0.347 | 0.000 | (0;000) | ✔ | 06/10/16 |
MnNiAs | ICSD | 610884 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.002 | 0.449 | (0;000) | ✗ | 05/01/17 |
Ga5Pd | COD | 1522867 | I4/mcm (140) | ✔ | 12 | 166 | 3 | 0.0 | 0.001 | 0.517 | (1;000) | ✗ | 02/02/17 |
VO2 | ICSD | 51214 | I4/m (87) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.925 | (0;000) | ✗ | 27/01/17 |