Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SiO2 | COD | 9006295 | C2 (5) | ✗ | 12 | 64 | 3 | 5.6133 | 5.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsAs4F13 | COD | 7012392 | I-4 (82) | ✗ | 18 | 120 | 1 | 5.3746 | 5.560 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs2TaAgS4 | ICSD | 84296 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5887 | 2.703 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Rb2VAgS4 | ICSD | 66841 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3525 | 1.493 | 0.000 | (0;000) | ✗ | 16/03/17 |
| BaAl2O4 | COD | 1010039 | P6_322 (182) | ✗ | 14 | 80 | 3 | 3.8461 | 4.116 | 0.000 | (0;000) | ✗ | 16/03/17 |
| H2O | COD | 1011063 | C222_1 (20) | ✗ | 12 | 32 | 3 | 3.802 | 4.116 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AgB(CN)4 | ICSD | 411179 | P-43m (215) | ✗ | 10 | 50 | 3 | 4.2688 | 4.338 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba3Ti3(BO6)2 | ICSD | 99460 | P-62m (189) | ✗ | 20 | 144 | 3 | 2.1579 | 2.459 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaP | ICSD | 83352 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.2772 | 1.127 | 0.000 | (0;000) | ✔ | 22/03/17 |
| ScSbPd | ICSD | 415944 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.2377 | 1.162 | 0.000 | (0;000) | ✔ | 15/02/17 |
| ZnSnP2 | ICSD | 648168 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.9472 | 0.947 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Zn(AgI2)2 | ICSD | 190588 | Pmn2_1 (31) | ✗ | 14 | 124 | 3 | 1.5531 | 1.553 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CsAlF4 | COD | 7221224 | P-62m (189) | ✗ | 18 | 120 | 1 | 7.242 | 7.254 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgBi3S5 | COD | 9004119 | C2/m (12) | ✔ | 18 | 172 | 3 | 0.0935 | 0.157 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Cs5Nb2S4Cl9 | ICSD | 410591 | Immm (71) | ✔ | 20 | 158 | 1 | 1.5949 | 1.599 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsICl2 | COD | 2106471 | R-3m (166) | ✔ | 4 | 30 | 1 | 2.1106 | 2.293 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KAs | COD | 8100816 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.7419 | 0.743 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbCdH2I3O | ICSD | 809 | Cc (9) | ✗ | 16 | 100 | 1 | 2.3934 | 2.394 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MoSBr | ICSD | 163308 | F-43m (216) | ✗ | 12 | 108 | 3 | 0.7669 | 0.770 | 0.000 | (0;000) | ✗ | 21/03/17 |
| HCBr3 | COD | 1504397 | P6_3 (173) | ✗ | 10 | 52 | 1 | 3.6186 | 3.620 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2LiInCl6 | ICSD | 65735 | R-3m (166) | ✔ | 20 | 152 | 1 | 3.5009 | 3.501 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Br2O | ICSD | 50198 | Pna2_1 (33) | ✗ | 12 | 80 | 2 | 1.0922 | 1.294 | 0.000 | (0;000) | ✗ | 21/03/17 |
| TiCdO3 | COD | 2310616 | Pna2_1 (33) | ✗ | 20 | 168 | 3 | 1.9899 | 1.990 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Li2CdGeS4 | COD | 4302973 | Pmn2_1 (31) | ✗ | 16 | 92 | 2 | 2.422 | 2.422 | 0.000 | (0;000) | ✗ | 22/03/17 |
| InAgS2 | COD | 1509403 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7495 | 0.751 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgC4N3 | COD | 7115405 | Ima2 (46) | ✗ | 16 | 84 | 3 | 3.6159 | 3.621 | 0.000 | (0;000) | ✗ | 21/03/17 |
| InHO2 | COD | 1527723 | Pmn2_1 (31) | ✗ | 8 | 52 | 3 | 2.1505 | 2.151 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdI2 | ICSD | 108917 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9965 | 2.176 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 44792 | P3m1 (156) | ✗ | 12 | 104 | 1 | 1.9912 | 2.173 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Na2Ca3Ta2O9 | COD | 2009231 | R32 (155) | ✗ | 16 | 128 | 1 | 3.7327 | 3.759 | 0.000 | (0;000) | ✗ | 21/03/17 |
| LiBiO2 | ICSD | 46022 | Ibam (72) | ✔ | 16 | 120 | 1 | 0.7817 | 0.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CdCu2GeS4 | ICSD | 26150 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6433 | 0.644 | 0.000 | (0;000) | ✗ | 22/03/17 |
| H2C2O | COD | 7054719 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8651 | 3.865 | 0.000 | (0;000) | ✗ | 21/03/17 |
| As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2NaIO6 | ICSD | 425446 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 1.7866 | 1.787 | 0.000 | (0;000) | ✗ | 21/03/17 |
| YAgSe2 | ICSD | 605836 | P2_12_12_1 (19) | ✗ | 16 | 136 | 3 | 1.2636 | 1.264 | 0.000 | (0;000) | ✗ | 16/03/17 |
| RbCdAg3(CN)6 | ICSD | 75503 | P312 (149) | ✗ | 17 | 108 | 3 | 2.6898 | 2.690 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs2NbAgSe4 | ICSD | 50464 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.8633 | 2.014 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Cs2Cd3Te4 | COD | 1521662 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.5731 | 1.573 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiBi2O5 | ICSD | 30995 | Cmc2_1 (36) | ✗ | 16 | 128 | 3 | 2.5658 | 2.632 | 0.000 | (0;000) | ✗ | 21/03/17 |
| H2CN2 | COD | 2008559 | Cc (9) | ✗ | 20 | 64 | 1 | 5.2613 | 5.262 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ScAlCO | ICSD | 419683 | R-3m (166) | ✔ | 8 | 48 | 3 | 0.3449 | 1.217 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZrO2 | COD | 9009919 | Pca2_1 (29) | ✗ | 12 | 64 | 3 | 3.5103 | 3.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdSi(CuSe2)2 | ICSD | 619783 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5507 | 0.551 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ca2CdSb2 | COD | 4109271 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.1448 | 0.159 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BiIrS | ICSD | 616740 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.6388 | 1.147 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cu3PS4 | ICSD | 656975 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.7252 | 0.725 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2LiAsO4 | ICSD | 36645 | Cmc2_1 (36) | ✗ | 16 | 100 | 1 | 4.2956 | 4.307 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CsTaGeS5 | ICSD | 417875 | P-1 (2) | ✔ | 16 | 112 | 1 | 0.7968 | 0.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaGeO3 | ICSD | 23925 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.833 | 3.835 | 0.000 | (0;000) | ✗ | 21/03/17 |