Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K2AgAs | ICSD | 1154 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1805 | 1.308 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3AsN | ICSD | 56968 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.6838 | 0.684 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2AgBi | ICSD | 1156 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6946 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaBi2 | ICSD | 659277 | Cmcm (63) | ✔ | 6 | 80 | 1 | 0.0 | 0.032 | 0.360 | (0;110) | ✗ | 05/01/17 |
| K2AgSb | ICSD | 1155 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1247 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
| KSnAs | ICSD | 610765 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5034 | 0.530 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KSnAs | ICSD | 65413 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BrCl | ICSD | 424850 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.895 | 1.911 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAsSe2 | ICSD | 248118 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.096 | 0.008 | (0;000) | ✗ | 06/10/16 |
| NaSrAs | ICSD | 402448 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8323 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2CdAs2 | ICSD | 422940 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.5433 | 0.543 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2CdAs2 | ICSD | 422579 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.8205 | 0.821 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiBeB | ICSD | 191998 | P3m1 (156) | ✗ | 12 | 40 | 1 | 0.2863 | 0.631 | 0.000 | (0;000) | ✔ | 06/10/16 |
| AsS2NF6 | ICSD | 62120 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5737 | 2.574 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaZn | ICSD | 58944 | Ccmm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.019 | 0.538 | (0;110) | ✗ | 06/10/16 |
| BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BNCl2 | ICSD | 14276 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3764 | 2.454 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiFeAs | COD | 4501852 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.007 | 0.546 | (1;001) | ✗ | 05/01/17 |
| LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaCoO3 | ICSD | 88670 | C2mm (38) | ✗ | 10 | 74 | 1 | 0.0 | 0.000 | 0.897 | ? | ✗ | 06/10/16 |
| BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KMgAs | ICSD | 610753 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.1304 | 1.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CO2 | ICSD | 188893 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.8836 | 1.332 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BrF5 | ICSD | 31690 | Ccm2_1 (36) | ✗ | 12 | 84 | 1 | 4.0507 | 4.134 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PI3 | ICSD | 311 | P2_1 (4) | ✗ | 8 | 52 | 1 | 1.8955 | 1.899 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAsSe2 | COD | 4102048 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.097 | 0.008 | (0;000) | ✗ | 05/01/17 |
| TiI3 | ICSD | 422870 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.009 | 0.345 | (0;000) | ✔ | 06/10/16 |
| IBr | ICSD | 22120 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.2772 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrI3 | ICSD | 74648 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.085 | 0.322 | (0;000) | ✔ | 06/10/16 |
| Sr2As | ICSD | 44066 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.019 | 0.112 | (0;111) | ✗ | 05/01/17 |
| SnI4 | ICSD | 18010 | P-43m (215) | ✗ | 5 | 42 | 1 | 0.8791 | 0.882 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsAuS | ICSD | 656712 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.7838 | 1.986 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KAuF6 | COD | 1510146 | R-3m (166) | ✔ | 8 | 62 | 1 | 2.4134 | 2.413 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiAuF6 | ICSD | 165209 | R-3 (148) | ✔ | 8 | 56 | 1 | 2.5517 | 2.557 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaAs3 | ICSD | 86402 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.032 | 0.224 | (1;001) | ✔ | 30/01/17 |
| Sr5Bi3 | ICSD | 41838 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 06/10/16 |
| BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KBrO3 | ICSD | 47173 | R3m (160) | ✗ | 5 | 34 | 1 | 3.909 | 3.909 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb3NbO8 | ICSD | 407327 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0135 | 3.184 | 0.000 | (0;000) | ✗ | 07/10/16 |
| RbAu | COD | 1517938 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 0.1979 | 1.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Bi8Te9 | ICSD | 106330 | R-3m (166) | ✔ | 17 | 94 | 1 | 0.0 | 0.033 | 0.669 | (0;111) | ✗ | 06/10/16 |
| RbAuS | COD | 1510281 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.8414 | 2.060 | 0.000 | (0;000) | ✗ | 05/01/17 |
| PdBr2 | ICSD | 27443 | C2/c (15) | ✔ | 6 | 64 | 1 | 0.509 | 0.945 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2Mg(BO3)2 | COD | 2215221 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.7924 | 4.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiIO3 | ICSD | 35475 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8193 | 3.892 | 0.000 | (0;000) | ✗ | 29/11/16 |