▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C | COD | 9011577 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.060 | (0;000) | ✗ | 27/01/17 |
LiCoO2 | COD | 4505482 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0657 | 1.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeTe | ICSD | 169974 | P4/nmm (129) | ✔ | 4 | 28 | 2 | 0.0 | 0.008 | 0.526 | (1;001) | ✗ | 27/01/17 |
FePS3 | COD | 1527654 | C2/m (12) | ✔ | 10 | 62 | 2 | 0.1373 | 0.173 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCoO2 | ICSD | 96428 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.9734 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
Be2Zn | ICSD | 168955 | Fmmm (69) | ✔ | 3 | 20 | 2 | 0.0 | 0.043 | 0.231 | (1;000) | ✗ | 06/10/16 |
BiBr3 | ICSD | 100293 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 2.1184 | 2.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(AsO3)2 | ICSD | 29534 | P312 (149) | ✗ | 9 | 56 | 2 | 3.1687 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(AsO3)2 | ICSD | 77379 | P-31m (162) | ✔ | 9 | 56 | 2 | 2.9334 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoP4 | ICSD | 105057 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✔ | 04/10/16 |
BiBr | ICSD | 1560 | C2/m (12) | ✔ | 16 | 96 | 2 | 0.3125 | 0.313 | 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 |
BiF5 | ICSD | 25023 | I4/m (87) | ✔ | 6 | 50 | 2 | 3.1288 | 3.527 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiSe | ICSD | 72197 | F2mm (42) | ✗ | 4 | 42 | 2 | 0.0 | 0.033 | 0.537 | (1;110) | ✔ | 06/10/16 |
BiI3 | ICSD | 187304 | P-31m (162) | ✔ | 8 | 72 | 2 | 1.0725 | 1.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(AgS)2 | COD | 1509711 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.9156 | 0.916 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlFeS2 | COD | 9011992 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.0 | 0.017 | 0.290 | (0;000) | ✗ | 27/01/17 |
BiI3 | ICSD | 187305 | R-3 (148) | ✔ | 8 | 52 | 2 | 1.454 | 1.544 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTiNCl | ICSD | 261526 | Pmmn (59) | ✔ | 8 | 54 | 2 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 27/01/17 |
FeCl2 | COD | 9009128 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4056 | 0.438 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiI3 | ICSD | 187607 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 0.6786 | 0.679 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiBeB | ICSD | 191999 | Im2m (44) | ✗ | 12 | 40 | 2 | 0.486 | 0.968 | 0.000 | (0;000) | ✔ | 06/10/16 |
BiI3 | ICSD | 56570 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.1573 | 1.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(Ag2Sb)2 | ICSD | 424311 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.187 | 0.372 | (0;111) | ✗ | 05/01/17 |
SrAgAs | COD | 7209311 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.003 | 0.007 | (1;000) | ✗ | 05/01/17 |
BaAgBi | COD | 2200912 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.003 | 0.161 | (1;000) | ✗ | 05/01/17 |
LiBi | ICSD | 58796 | P4/mmm (123) | ✔ | 2 | 18 | 2 | 0.0 | 0.028 | 0.500 | (1;000) | ✗ | 05/01/17 |
BaAgSb | ICSD | 56981 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.223 | 0.085 | (0;000) | ✗ | 05/01/17 |
BaAgSb | COD | 1509224 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.052 | 0.465 | (1;000) | ✗ | 05/01/17 |
FeSe | COD | 1010298 | P4/nmm (129) | ✔ | 4 | 28 | 2 | 0.0 | 0.003 | 0.469 | (1;001) | ✗ | 27/01/17 |
CaAgBi | ICSD | 659377 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.014 | 0.193 | (1;000) | ✗ | 05/01/17 |
SrAgBi | COD | 1509243 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.010 | 0.147 | (1;000) | ✗ | 05/01/17 |
AgH3BrN | COD | 7103195 | P2_1/m (11) | ✔ | 12 | 52 | 2 | 2.3806 | 2.588 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgClO2 | COD | 2310062 | Cmme (67) | ✔ | 8 | 60 | 2 | 0.632 | 0.632 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBi | ICSD | 58816 | P4/mmm (123) | ✔ | 2 | 14 | 2 | 0.0 | 0.106 | 0.422 | (1;000) | ✗ | 06/10/16 |
SnTe | ICSD | 652743 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.1727 | 0.276 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlBSe3 | ICSD | 411344 | Cc (9) | ✗ | 10 | 68 | 2 | 0.841 | 1.470 | 0.000 | (0;000) | ✗ | 06/10/16 |
B2S2O9 | ICSD | 426544 | C2 (5) | ✗ | 13 | 72 | 2 | 7.109 | 7.305 | 0.000 | (0;000) | ✗ | 06/10/16 |
YP5 | ICSD | 409188 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.0 | 0.731 | 0.053 | (0;000) | ✔ | 02/02/17 |
FeS | COD | 9011800 | P4/nmm (129) | ✔ | 4 | 28 | 2 | 0.0 | 0.026 | 0.459 | (0;000) | ✗ | 27/01/17 |
HfS3 | ICSD | 42074 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 1.1644 | 1.205 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfSe3 | ICSD | 42075 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.146 | 0.271 | (0;000) | ✔ | 27/01/17 |
KAgSe | COD | 1509424 | P4/nmm (129) | ✔ | 6 | 52 | 2 | 0.4259 | 0.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na3AgO2 | COD | 1528854 | Ibam (72) | ✔ | 12 | 100 | 2 | 1.173 | 1.345 | 0.000 | (0;000) | ✗ | 05/01/17 |
HgI2 | ICSD | 22242 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.8395 | 1.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiTe | ICSD | 100654 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0457 | 0.097 | 0.000 | (0;001) | ✗ | 06/10/16 |
SrAgP | COD | 7209350 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.1954 | 0.195 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCoF4 | ICSD | 26067 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.968 | ? | ✗ | 06/10/16 |
BaCoF4 | ICSD | 261189 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.965 | ? | ✗ | 06/10/16 |
BaCuF4 | ICSD | 9930 | Cmc2_1 (36) | ✗ | 12 | 98 | 2 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 28/11/16 |