▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K2TeOF4 | ICSD | 412955 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.1391 | 5.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNb2V2O11 | ICSD | 165097 | R-3m (166) | ✔ | 16 | 128 | 2 | 2.2681 | 2.270 | 0.000 | (0;000) | ✗ | 02/02/17 |
AsI3 | COD | 9008098 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9735 | 2.033 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca3VN3 | COD | 1005013 | Cmcm (63) | ✔ | 14 | 116 | 1 | 0.6765 | 0.984 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2P2Pd | ICSD | 15584 | Cmcm (63) | ✔ | 10 | 92 | 1 | 1.0553 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrP3 | ICSD | 23628 | C2/m (12) | ✔ | 16 | 100 | 1 | 0.3599 | 0.360 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaScCuS3 | ICSD | 659165 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.9651 | 1.125 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TaAgS4 | ICSD | 84294 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5212 | 2.523 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2PdBr6 | COD | 1010637 | Fm-3m (225) | ✔ | 9 | 78 | 2 | 0.0222 | 0.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPb2BrF5 | ICSD | 411087 | P4/nmm (129) | ✔ | 18 | 160 | 1 | 2.9629 | 3.107 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TiS3 | ICSD | 72377 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.1523 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2NbAgSe4 | ICSD | 402423 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.7861 | 1.855 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgSiO3 | COD | 2105685 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.4588 | 4.459 | 0.000 | (0;000) | ✗ | 02/02/17 |
BH2CO | ICSD | 9561 | C2/c (15) | ✔ | 20 | 60 | 1 | 1.1303 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaZrS3 | ICSD | 616104 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.796 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2PdCl4 | COD | 1521908 | P4/mmm (123) | ✔ | 7 | 72 | 1 | 1.0199 | 1.472 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SbAu | COD | 7209394 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.1268 | 0.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
CF2 | ICSD | 151184 | P-1 (2) | ✔ | 18 | 108 | 1 | 5.2396 | 5.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
ClF3 | COD | 1529706 | Pnma (62) | ✔ | 16 | 112 | 1 | 2.7457 | 2.765 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2GeSe3 | ICSD | 35043 | P-1 (2) | ✔ | 12 | 96 | 2 | 1.0351 | 1.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAgCl2 | ICSD | 150300 | P4/nmm (129) | ✔ | 8 | 68 | 2 | 2.2043 | 2.501 | 0.000 | (0;000) | ✗ | 30/01/17 |
SrCaSn | COD | 1528699 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2503 | 0.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeSn2(CN)6 | ICSD | 51494 | P-3 (147) | ✔ | 15 | 90 | 3 | 3.3964 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuSe3 | COD | 1510105 | C2/c (15) | ✔ | 10 | 76 | 2 | 1.1162 | 1.357 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAs | ICSD | 182159 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.8758 | 0.946 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdPd(CN)6 | ICSD | 6093 | Fm-3m (225) | ✔ | 14 | 84 | 3 | 3.5232 | 3.633 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbCl(OF3)2 | COD | 4305990 | P2/c (13) | ✔ | 20 | 132 | 1 | 2.0676 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 419757 | R-3 (148) | ✔ | 18 | 96 | 3 | 5.7691 | 5.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(AuO2)2 | COD | 1510361 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.4882 | 1.531 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdBiSe2Br | ICSD | 171726 | Pnma (62) | ✔ | 20 | 184 | 3 | 1.0754 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCl3O | ICSD | 26471 | P4_2/mnm (136) | ✔ | 20 | 160 | 2 | 2.3999 | 2.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2O3 | ICSD | 23760 | P2_1/c (14) | ✔ | 20 | 184 | 3 | 1.3282 | 1.397 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSi | ICSD | 174082 | C2/c (15) | ✔ | 16 | 104 | 1 | 1.0045 | 1.393 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2GeSe4 | ICSD | 414166 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 1.4911 | 1.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsIn5S8 | ICSD | 40878 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.466 | 1.558 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaCuSe2 | ICSD | 42097 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1417 | 0.142 | 0.000 | (0;000) | ✔ | 15/02/17 |
Tl2Cu2SnS4 | COD | 4000522 | Ibam (72) | ✔ | 18 | 172 | 2 | 0.3271 | 0.656 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiGaAs2O7 | ICSD | 161500 | C2 (5) | ✗ | 11 | 68 | 3 | 3.2297 | 3.364 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdSnO3 | ICSD | 165167 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.0793 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2PdO6 | COD | 1530535 | Pmna (53) | ✔ | 18 | 128 | 3 | 1.8132 | 1.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScSnAu | COD | 1510293 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0242 | 1.262 | 0.000 | (0;000) | ✔ | 15/02/17 |
K2S | ICSD | 27461 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.076 | 1.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSi6N8O | ICSD | 415272 | Imm2 (44) | ✗ | 16 | 80 | 3 | 4.3246 | 4.411 | 0.000 | (0;000) | ✗ | 15/02/17 |
BH6N | ICSD | 237078 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 5.397 | 5.563 | 0.000 | (0;000) | ✗ | 15/02/17 |
CuTe2I | ICSD | 67253 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.801 | 0.840 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaN | COD | 9008868 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.9472 | 1.947 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2Zr(AgTe2)2 | ICSD | 80195 | C222 (21) | ✗ | 9 | 68 | 2 | 1.2649 | 1.606 | 0.000 | (0;000) | ✗ | 16/03/17 |