▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
WS2 | COD | 9009145 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.9842 | 1.553 | 0.000 | (0;000) | ✗ | 11/04/17 |
GeTe | ICSD | 56604 | Pbcn (60) | ✔ | 16 | 80 | 3 | 0.0 | 0.017 | 0.270 | (1;000) | ✗ | 02/02/17 |
TePb | ICSD | 648609 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.0 | 0.146 | 0.014 | (0;000) | ✗ | 02/02/17 |
CsP(HO2)2 | ICSD | 79609 | P2_1/m (11) | ✔ | 16 | 80 | 1 | 5.2962 | 5.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNiI3 | ICSD | 423830 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.017 | 0.383 | (0;000) | ✗ | 02/02/17 |
MgTiO3 | COD | 9010587 | R-3 (148) | ✔ | 10 | 80 | 3 | 3.7492 | 3.814 | 0.000 | (0;000) | ✗ | 04/08/17 |
Au2O3 | COD | 2105390 | Fdd2 (43) | ✗ | 10 | 80 | 3 | 1.0569 | 1.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
Al4CO4 | COD | 2310612 | Cmc2_1 (36) | ✗ | 18 | 80 | 3 | 3.8694 | 3.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
PbS | COD | 9014778 | Pnma (62) | ✔ | 8 | 80 | 1 | 0.0 | 0.333 | 0.027 | (0;000) | ✗ | 02/02/17 |
OsO4 | ICSD | 23803 | C2/c (15) | ✔ | 10 | 80 | 1 | 3.023 | 3.060 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zr5Sb4 | ICSD | 153609 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.006 | 0.733 | (0;000) | ✗ | 02/02/17 |
N2 | ICSD | 40936 | R-3c (167) | ✔ | 16 | 80 | 1 | 5.8672 | 5.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
SeS2(NO)2 | ICSD | 69978 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.8532 | 1.897 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsMgI3 | ICSD | 87262 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 3.1028 | 3.128 | 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 |
GePdS3 | ICSD | 408505 | C2/m (12) | ✔ | 10 | 80 | 1 | 1.1255 | 1.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
S3(NO)2 | COD | 7221380 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.5897 | 1.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
H4C3O4 | COD | 4507995 | P-1 (2) | ✔ | 22 | 80 | 3 | 2.2883 | 2.328 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cs2NaYCl6 | ICSD | 245354 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 5.0966 | 5.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg3P2 | COD | 1011277 | Pn-3m (224) | ✔ | 10 | 80 | 1 | 1.0541 | 1.179 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHSO4 | ICSD | 24377 | P2_1/m (11) | ✔ | 14 | 80 | 1 | 5.8881 | 5.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2GeSe3 | ICSD | 300233 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.7432 | 1.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
KP(HO2)2 | COD | 1010458 | I-42d (122) | ✗ | 16 | 80 | 3 | 5.5574 | 5.568 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2KYF6 | ICSD | 155977 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.8517 | 6.852 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3Mo(OF)3 | ICSD | 97452 | R3 (146) | ✗ | 10 | 80 | 1 | 3.9124 | 4.098 | 0.000 | (0;000) | ✗ | 15/02/17 |
Na2CS3 | ICSD | 73094 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.1499 | 1.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2ZrSe3 | COD | 8101657 | Cmcm (63) | ✔ | 12 | 80 | 1 | 1.2811 | 1.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr3(Si3Cu2)2 | ICSD | 629244 | I4/mmm (139) | ✔ | 13 | 80 | 3 | 0.0 | 0.000 | 0.843 | (1;110) | ✗ | 22/03/17 |
SnO | COD | 1101035 | Cmc2_1 (36) | ✗ | 8 | 80 | 2 | 0.0 | 0.009 | 0.349 | (1;011) | ✔ | 15/02/17 |
Rb2GeSe3 | ICSD | 402719 | C2/m (12) | ✔ | 12 | 80 | 1 | 0.8322 | 0.906 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3TeHO4 | ICSD | 38036 | P2_1/m (11) | ✔ | 18 | 80 | 1 | 3.6746 | 3.978 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2O5 | ICSD | 77377 | Fdd2 (43) | ✗ | 14 | 80 | 3 | 5.886 | 5.886 | 0.000 | (0;000) | ✗ | 15/02/17 |
SrGe(HO2)2 | ICSD | 30320 | I-42d (122) | ✗ | 16 | 80 | 3 | 4.6209 | 4.716 | 0.000 | (0;000) | ✗ | 15/02/17 |
HNF2 | COD | 9016159 | Pmna (53) | ✔ | 16 | 80 | 1 | 0.0 | 0.002 | 0.279 | (0;000) | ✗ | 02/02/17 |
Cs2KScCl6 | ICSD | 59196 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.2291 | 3.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2RuO3 | ICSD | 202611 | C2/m (12) | ✔ | 12 | 80 | 2 | 0.0 | 0.087 | 0.084 | (0;001) | ✗ | 04/08/17 |
KIO4 | COD | 1010306 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 0.0 | 0.002 | 0.338 | (1;111) | ✗ | 02/02/17 |
TlF | ICSD | 16112 | Pma2 (28) | ✗ | 8 | 80 | 2 | 1.4283 | 1.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg3As2 | ICSD | 24485 | Pn-3m (224) | ✔ | 10 | 80 | 3 | 0.7835 | 0.869 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2SiO3 | ICSD | 74640 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 4.2212 | 4.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr(MoO4)2 | COD | 2103589 | C2/m (12) | ✔ | 11 | 80 | 3 | 2.6175 | 2.799 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2NiWO6 | ICSD | 109165 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.368 | (0;000) | ✗ | 27/01/17 |
CoAsS | ICSD | 31189 | P2_1ca (29) | ✗ | 12 | 80 | 3 | 0.8804 | 1.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiCuO | ICSD | 188520 | I-4m2 (119) | ✗ | 12 | 80 | 3 | 1.4772 | 1.679 | 0.000 | (0;000) | ✗ | 07/10/16 |
Ti(CuS)4 | ICSD | 82558 | I-42m (121) | ✗ | 9 | 80 | 3 | 1.4281 | 1.713 | 0.000 | (0;000) | ✗ | 07/10/16 |
KH3F4 | COD | 4124451 | R-3c (167) | ✔ | 16 | 80 | 1 | 6.4747 | 6.534 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfW2 | ICSD | 639012 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.639 | (0;000) | ✗ | 27/01/17 |
CoAsS | ICSD | 41757 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9749 | 1.154 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoAsS | ICSD | 41758 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9695 | 1.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoAsS | ICSD | 41857 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.0 | 0.001 | 0.519 | ? | ✗ | 06/10/16 |