▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba(AlTe2)2 | ICSD | 41165 | P4/nbm (125) | ✔ | 14 | 80 | 1 | 1.3483 | 1.348 | 0.000 | (0;000) | ✗ | 30/01/17 |
FeSe2 | ICSD | 633475 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.4059 | 0.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiAs2 | COD | 9012502 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.013 | 0.319 | (0;000) | ✗ | 05/01/17 |
Sr2MgWO6 | ICSD | 152575 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 2.6761 | 2.676 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 648451 | Pnma (62) | ✔ | 8 | 80 | 3 | 1.2827 | 1.314 | 0.000 | (0;000) | ✗ | 27/01/17 |
As3(HO2)5 | COD | 2310419 | P-1 (2) | ✔ | 18 | 80 | 3 | 3.5509 | 3.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgTe(PbO3)2 | COD | 1008899 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 2.7142 | 2.714 | 0.000 | (0;000) | ✗ | 27/01/17 |
BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgSO4 | COD | 2300128 | Cmcm (63) | ✔ | 12 | 80 | 3 | 5.931 | 5.983 | 0.000 | (0;000) | ✗ | 27/01/17 |
KLi6IrO6 | ICSD | 61692 | R-3m (166) | ✔ | 14 | 80 | 1 | 0.3634 | 0.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
PAuS4 | COD | 1510268 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.0351 | 1.410 | 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 |
Sr(AlS2)2 | ICSD | 609259 | Cccm (66) | ✔ | 14 | 80 | 1 | 3.807 | 3.844 | 0.000 | (0;000) | ✗ | 30/01/17 |
Zr5Sb3As | ICSD | 611352 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.005 | 0.819 | (0;000) | ✗ | 30/01/17 |
NaNbO3 | COD | 9015979 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.8433 | 3.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNbO3 | COD | 2002944 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 1.6578 | 1.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(AlSe2)2 | ICSD | 609319 | Cccm (66) | ✔ | 14 | 80 | 1 | 3.0219 | 3.024 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na2PtSe2 | ICSD | 40429 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.8836 | 1.266 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAs | ICSD | 9496 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.006 | 0.343 | (1;000) | ✗ | 05/01/17 |
MnAs | COD | 2310698 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.017 | 0.497 | (0;000) | ✗ | 05/01/17 |
ScAsO4 | ICSD | 155920 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.1602 | 4.160 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAsO4 | COD | 1010919 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 3.2433 | 3.280 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrTe | COD | 1525992 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.465 | (1;000) | ✗ | 27/01/17 |
Na2PtS2 | ICSD | 87219 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 1.1175 | 1.485 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2PdS2 | ICSD | 76533 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9578 | 1.378 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2NaAlAs2 | ICSD | 73280 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.1444 | 1.304 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na3AlAs2 | ICSD | 63149 | Ibam (72) | ✔ | 12 | 80 | 1 | 0.9112 | 1.002 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2NaCuF6 | ICSD | 22111 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 0.0 | 0.000 | 0.366 | (0;000) | ✗ | 27/01/17 |
CrTe | ICSD | 93161 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.470 | (1;000) | ✗ | 06/10/16 |
K2NaScF6 | ICSD | 65730 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.9921 | 6.992 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2CO3 | ICSD | 52535 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 3.3215 | 3.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaTaO3 | COD | 2002945 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 2.2609 | 2.385 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbAu(SO4)2 | ICSD | 412095 | P-1 (2) | ✔ | 12 | 80 | 1 | 2.0264 | 2.159 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbAu(SeO4)2 | ICSD | 413989 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.5782 | 1.584 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li4GeO4 | COD | 9008154 | Cmcm (63) | ✔ | 18 | 80 | 1 | 4.4557 | 4.456 | 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 |
K2NaAlP2 | ICSD | 73279 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.6306 | 1.898 | 0.000 | (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 |
Na2SiO3 | ICSD | 15388 | Cmc2_1 (36) | ✗ | 12 | 80 | 1 | 4.0781 | 4.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2NaYF6 | ICSD | 22115 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.5571 | 6.557 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeS2 | ICSD | 15012 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.5231 | 0.568 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ni(BO2)2 | COD | 1510786 | C2/c (15) | ✔ | 14 | 80 | 3 | 0.0 | 0.007 | 0.476 | (1;000) | ✗ | 05/01/17 |
SnS | COD | 9008785 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.6586 | 0.838 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta2PdSe6 | ICSD | 61005 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.026 | 0.245 | (1;110) | ✗ | 27/01/17 |
TiCr2 | ICSD | 102851 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.640 | (0;000) | ✗ | 27/01/17 |
Cs2KCuF6 | ICSD | 59102 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 0.0 | 0.000 | 0.519 | (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 |
Ba2CaWO6 | ICSD | 76436 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.8479 | 2.918 | 0.000 | (0;000) | ✗ | 05/01/17 |