Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AgB(CN)4 | ICSD | 411179 | P-43m (215) | ✗ | 10 | 50 | 3 | 4.2688 | 4.338 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CuB(CN)4 | COD | 4308583 | P-43m (215) | ✗ | 10 | 50 | 3 | 3.2086 | 3.310 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiB(CN)4 | COD | 4308584 | P-43m (215) | ✗ | 10 | 42 | 1 | 6.563 | 6.689 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsCo(CO)4 | ICSD | 31359 | I-4 (82) | ✗ | 10 | 66 | 2 | 3.736 | 3.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiCo(CO)4 | ICSD | 30854 | P-43m (215) | ✗ | 10 | 60 | 3 | 4.0417 | 4.042 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnH4(CO)4 | COD | 7012468 | C2 (5) | ✗ | 13 | 56 | 3 | 5.1539 | 5.377 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PH8C4N3O4 | COD | 2221677 | P1 (1) | ✗ | 20 | 68 | 1 | 2.9893 | 3.073 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H3C5I2N | COD | 2012993 | Fmm2 (42) | ✗ | 11 | 42 | 1 | 3.0403 | 3.220 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiH5C5N2O5 | COD | 2200233 | P1 (1) | ✗ | 18 | 68 | 1 | 2.9567 | 3.022 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4C9OF4 | COD | 7204880 | P1 (1) | ✗ | 18 | 74 | 1 | 3.4283 | 3.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca2Ge | ICSD | 39157 | P6_3mc (186) | ✗ | 6 | 48 | 1 | 0.0 | 0.058 | 0.162 | (0;000) | ✔ | 15/02/17 |
| Ca2SiO4 | ICSD | 182054 | P6_3mc (186) | ✗ | 14 | 96 | 1 | 2.5583 | 2.558 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsCa(NO2)3 | ICSD | 56433 | R3 (146) | ✗ | 11 | 70 | 1 | 2.7053 | 2.770 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2CaHfF8 | ICSD | 95248 | I-4 (82) | ✗ | 12 | 84 | 1 | 7.2455 | 7.291 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnS | ICSD | 37373 | R3m (160) | ✗ | 6 | 54 | 0 | 2.1341 | 2.134 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 28294 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4374 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2CaGeO4 | ICSD | 19024 | I-42m (121) | ✗ | 8 | 44 | 1 | 4.5502 | 4.765 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaCaSiHO4 | ICSD | 97911 | P2_1 (4) | ✗ | 16 | 96 | 2 | 4.5756 | 4.578 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiNbO3 | ICSD | 35014 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5503 | 3.611 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2CaSiO4 | ICSD | 19023 | I-42m (121) | ✗ | 8 | 44 | 1 | 5.4389 | 5.954 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ScAlCO | ICSD | 426425 | P6_3mc (186) | ✗ | 8 | 48 | 3 | 1.205 | 2.325 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaMnGe | COD | 9008361 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.847 | (0;000) | ✗ | 27/01/17 |
| CaZrSi2O7 | COD | 9004208 | C2 (5) | ✗ | 11 | 64 | 3 | 4.5504 | 4.594 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaZnSO | ICSD | 245309 | P6_3mc (186) | ✗ | 8 | 68 | 1 | 2.7339 | 2.734 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiNbO3 | ICSD | 415526 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5351 | 3.564 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaZnGe | ICSD | 52772 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.183 | 0.172 | (0;000) | ✗ | 27/01/17 |
| KCaCO3F | COD | 2203515 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.4344 | 4.439 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaCO3 | ICSD | 83607 | C2 (5) | ✗ | 15 | 96 | 1 | 4.5726 | 4.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CuCClO | ICSD | 63490 | Pmn2_1 (31) | ✗ | 8 | 56 | 2 | 2.3445 | 2.639 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiNbO3 | ICSD | 61118 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5511 | 3.607 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuCSN | ICSD | 24372 | R3m (160) | ✗ | 4 | 26 | 3 | 2.1878 | 2.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CuCSN | ICSD | 32578 | P6_3mc (186) | ✗ | 8 | 52 | 3 | 2.1727 | 2.173 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdHClO | ICSD | 91087 | P6_3mc (186) | ✗ | 8 | 52 | 2 | 2.6132 | 2.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AgCNO | ICSD | 23832 | Cmcm (63) | ✔ | 8 | 52 | 3 | 2.1874 | 2.631 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrS2 | ICSD | 642 | I4/mcm (140) | ✔ | 6 | 44 | 1 | 1.3022 | 2.079 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdCu2SnS4 | ICSD | 619774 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.2835 | 0.284 | 0.000 | (0;000) | ✔ | 15/02/17 |
| PdCl2 | ICSD | 421221 | P2_1/c (14) | ✔ | 6 | 64 | 2 | 0.6974 | 1.132 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiS2 | ICSD | 16952 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.9532 | 3.090 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 90743 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.6599 | 2.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2CdGeO4 | ICSD | 20031 | Pmn2_1 (31) | ✗ | 16 | 92 | 3 | 2.3043 | 2.548 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cd(HO)2 | ICSD | 40185 | Cm (8) | ✗ | 10 | 52 | 3 | 0.0243 | 0.237 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Cd(InSe2)2 | ICSD | 620044 | I-42m (121) | ✗ | 7 | 62 | 3 | 0.9858 | 0.986 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cd(InSe2)2 | ICSD | 620049 | P-42m (111) | ✗ | 7 | 62 | 3 | 0.8336 | 0.834 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AgCNO | ICSD | 260378 | Pmmn (59) | ✔ | 8 | 52 | 3 | 1.449 | 1.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiCdP | ICSD | 52813 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.0 | 0.062 | 0.188 | (0;000) | ✔ | 15/02/17 |
| CdSe | ICSD | 181026 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.749 | 0.105 | (0;000) | ✗ | 27/01/17 |
| AgCO2 | ICSD | 109600 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 0.9917 | 1.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KSrCO3F | ICSD | 262231 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.1919 | 4.195 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbSrCO3F | ICSD | 262233 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.2648 | 4.268 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2CClF | COD | 2013049 | P2_1 (4) | ✗ | 10 | 40 | 1 | 6.0043 | 6.037 | 0.000 | (0;000) | ✗ | 15/02/17 |