▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CrP2 | ICSD | 2526 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.029 | 0.247 | (0;000) | ✔ | 27/01/17 |
MoP2 | ICSD | 37222 | Ccm2_1 (36) | ✗ | 6 | 48 | 3 | 0.0 | 0.301 | 0.230 | (1;000) | ✔ | 04/10/16 |
BaPb | ICSD | 58664 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.085 | 0.123 | (0;110) | ✗ | 06/10/16 |
BaSn | ICSD | 58678 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.023 | 0.135 | (0;110) | ✗ | 05/01/17 |
SnPt3C | ICSD | 108179 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.378 | (1;111) | ✗ | 27/01/17 |
GeO2 | ICSD | 16577 | P3_221 (154) | ✗ | 9 | 48 | 3 | 3.7257 | 3.809 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(SnAs)2 | ICSD | 611428 | R3m (160) | ✗ | 5 | 48 | 2 | 0.0 | 0.021 | 0.032 | (1;000) | ✔ | 06/10/16 |
Si2N2O | ICSD | 98638 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1733 | 5.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeO2 | ICSD | 200730 | P3_121 (152) | ✗ | 9 | 48 | 3 | 3.7477 | 3.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 98639 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.9363 | 4.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiI | ICSD | 1559 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.139 | 0.161 | 0.000 | (0;001) | ✗ | 06/10/16 |
NaGeAu | ICSD | 78866 | Im2m (44) | ✗ | 6 | 48 | 3 | 0.0 | 0.004 | 0.703 | (1;000) | ✔ | 06/10/16 |
Ge2Os | ICSD | 43690 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.314 | 0.057 | (0;000) | ✔ | 27/01/17 |
SrClF | COD | 9013892 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.8674 | 5.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeGe | ICSD | 53456 | C2/m (12) | ✔ | 8 | 48 | 3 | 0.0 | 0.009 | 0.876 | (1;110) | ✗ | 27/01/17 |
Al2O3 | ICSD | 169722 | C2/c (15) | ✔ | 10 | 48 | 3 | 9.3608 | 9.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2O3 | COD | 1200005 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5991 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al2O3 | COD | 9009681 | R-3c (167) | ✔ | 10 | 48 | 3 | 6.3488 | 6.349 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al2O3 | ICSD | 99783 | R-3c (167) | ✔ | 10 | 48 | 3 | 0.0 | 0.015 | 0.293 | (1;000) | ✗ | 05/01/17 |
Bi2O3 | ICSD | 186365 | P-3m1 (164) | ✔ | 5 | 48 | 3 | 0.4261 | 1.051 | 0.000 | (0;000) | ✗ | 05/01/17 |
YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al2O3 | ICSD | 173014 | P1 (1) | ✗ | 10 | 48 | 3 | 0.0 | 0.285 | 1.000 | (0;000) | ✔ | 06/10/16 |
AlBO3 | COD | 9011182 | R-3c (167) | ✔ | 10 | 48 | 3 | 5.9642 | 6.081 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al2O3 | ICSD | 82504 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5944 | 4.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsAlO2 | ICSD | 28372 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 4.8428 | 4.850 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlF3 | COD | 1000467 | R-3c (167) | ✔ | 8 | 48 | 3 | 8.0575 | 8.058 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al2Se3 | ICSD | 14373 | Cc (9) | ✗ | 10 | 48 | 3 | 1.5341 | 1.554 | 0.000 | (0;000) | ✗ | 06/10/16 |
YGa | COD | 2310244 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.001 | 0.461 | (1;000) | ✗ | 27/01/17 |
Sr(MnGe)2 | ICSD | 403 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.005 | 0.746 | (0;111) | ✗ | 27/01/17 |
KAlO2 | COD | 2105208 | Fd-3m (227) | ✔ | 8 | 48 | 0 | 3.2866 | 3.290 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrSiCuP | ICSD | 59594 | P4/nmm (129) | ✔ | 8 | 48 | 3 | 0.0 | 0.005 | 0.090 | (0;001) | ✗ | 27/01/17 |
NaAlSe2 | ICSD | 44704 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 2.2881 | 2.395 | 0.000 | (0;000) | ✗ | 05/01/17 |
NbAlRu2 | COD | 1523383 | Fm-3m (225) | ✔ | 4 | 48 | 3 | 0.0 | 0.000 | 0.145 | (1;000) | ✗ | 05/01/17 |
RbAlO2 | ICSD | 28373 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 3.7643 | 3.769 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgH2 | ICSD | 155809 | Pnma (62) | ✔ | 12 | 48 | 1 | 1.7913 | 3.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(CrAs)2 | ICSD | 609849 | I4/mmm (139) | ✔ | 5 | 48 | 2 | 0.0 | 0.006 | 0.557 | (1;000) | ✗ | 05/01/17 |
LaBr3 | ICSD | 31581 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 3.1889 | 3.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgH2 | ICSD | 155808 | Pbcn (60) | ✔ | 12 | 48 | 1 | 3.6029 | 3.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(CrAs)2 | ICSD | 610273 | I4/mmm (139) | ✔ | 5 | 48 | 2 | 0.0 | 0.015 | 0.674 | (1;000) | ✗ | 05/01/17 |
Sr(SnAs)2 | COD | 1008735 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.0 | 0.091 | 0.028 | (1;000) | ✗ | 05/01/17 |
CaSn | ICSD | 165193 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.065 | 0.315 | (0;110) | ✗ | 06/10/16 |
TiNCl | ICSD | 261525 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.6554 | 0.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSn | ICSD | 55220 | Ccmm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.013 | 0.316 | (1;000) | ✗ | 06/10/16 |
CrSb2 | ICSD | 86811 | I4/mcm (140) | ✔ | 6 | 48 | 3 | 0.0 | 0.006 | 0.448 | (0;000) | ✗ | 27/01/17 |
Ca3SiBr2 | ICSD | 89541 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.002 | 0.536 | (1;000) | ✔ | 05/12/16 |
MgH2 | ICSD | 168832 | Pa3 (205) | ✔ | 12 | 48 | 1 | 2.6473 | 3.399 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3SiBr2 | ICSD | 89542 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.425 | ? | ✗ | 06/10/16 |
Ca3SiBr2 | ICSD | 89543 | P-6m2 (187) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.331 | ? | ✗ | 06/10/16 |
Ca3SiBr2 | ICSD | 89544 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.003 | 0.511 | ? | ✗ | 06/10/16 |