Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Zn2PHO5 | COD | 9009553 | P-1 (2) | ✔ | 18 | 120 | 3 | 3.4318 | 3.541 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KH | COD | 9008653 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.434 | 3.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3BN2 | ICSD | 41022 | P2_1/c (14) | ✔ | 24 | 88 | 1 | 3.4359 | 3.802 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | ICSD | 164260 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4367 | 3.460 | 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 |
| PH4I | ICSD | 22083 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.441 | 3.570 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiNbO3 | ICSD | 155361 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4414 | 3.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbSO4F | ICSD | 8275 | P-1 (2) | ✔ | 14 | 92 | 1 | 3.4419 | 3.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2BiPO6 | ICSD | 73894 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.4419 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaSiO3 | COD | 9010192 | R-3m (166) | ✔ | 15 | 96 | 3 | 3.4421 | 3.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaSnO3 | COD | 1004022 | R-3 (148) | ✔ | 10 | 84 | 1 | 3.4424 | 3.721 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsNO3 | COD | 2106533 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.4434 | 3.443 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaCdF3 | ICSD | 163867 | R3c (161) | ✗ | 10 | 84 | 3 | 3.449 | 3.449 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiO2 | ICSD | 75668 | Pc (7) | ✗ | 12 | 64 | 3 | 3.4494 | 3.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrTeO3 | ICSD | 182023 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 3.4504 | 3.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiTlPHO3 | ICSD | 201040 | C2 (5) | ✗ | 14 | 80 | 1 | 3.4505 | 3.514 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiTaO3 | ICSD | 84226 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4507 | 3.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C | COD | 9012238 | Ia3 (206) | ✔ | 8 | 32 | 3 | 3.4586 | 3.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgBrO3 | ICSD | 31925 | C2/c (15) | ✔ | 20 | 148 | 2 | 3.4599 | 3.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li3SbO4 | COD | 2012121 | P2/c (13) | ✔ | 16 | 76 | 1 | 3.4604 | 3.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca3V2O8 | COD | 9014364 | C2/m (12) | ✔ | 13 | 104 | 1 | 3.4615 | 3.672 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 155360 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4643 | 3.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgSiN2 | ICSD | 44109 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.4662 | 3.893 | 0.000 | (0;000) | ✗ | 07/10/16 |
| NaCaVO4 | ICSD | 32573 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.467 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsMoO2F3 | ICSD | 9710 | Imma (74) | ✔ | 14 | 112 | 1 | 3.4674 | 3.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrBr2 | COD | 9009205 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.4695 | 3.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaNO | ICSD | 66978 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.4734 | 3.473 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaN6 | ICSD | 412259 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.4748 | 3.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| As2O3 | COD | 4506960 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 3.4753 | 3.656 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiPO4 | COD | 7023720 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 3.4763 | 3.555 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiMgVO4 | ICSD | 63477 | Cmcm (63) | ✔ | 14 | 100 | 3 | 3.4781 | 3.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2Al2Sb2O7 | COD | 2010514 | P-3m1 (164) | ✔ | 13 | 76 | 1 | 3.4792 | 3.657 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Li3BN2 | COD | 1511227 | P4_2/mnm (136) | ✔ | 12 | 44 | 1 | 3.4812 | 4.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScCl3 | ICSD | 74517 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.482 | 3.639 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HC3Cl2 | COD | 2100447 | P-1 (2) | ✔ | 24 | 108 | 1 | 3.4831 | 3.649 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGaO2 | COD | 1526802 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.4861 | 3.487 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrGeTeO6 | ICSD | 88790 | P312 (149) | ✗ | 9 | 56 | 2 | 3.4878 | 3.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Hg(C2F3)2 | ICSD | 165635 | P-1 (2) | ✔ | 11 | 70 | 1 | 3.4881 | 3.797 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrO2 | COD | 1526427 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 3.4892 | 3.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrCl4 | ICSD | 26049 | P2/c (13) | ✔ | 10 | 64 | 1 | 3.4913 | 3.573 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2CO3 | COD | 1527331 | P2_1/c (14) | ✔ | 24 | 160 | 3 | 3.4916 | 3.511 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CBr3F | ICSD | 72370 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.4942 | 3.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbScO2 | COD | 1528203 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.4955 | 3.922 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaAgF6 | COD | 1509333 | P4_2/mcm (132) | ✔ | 16 | 132 | 3 | 3.4968 | 3.507 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGaBr4 | ICSD | 61337 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 3.4986 | 3.499 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg2GeO4 | COD | 9010486 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 3.5003 | 3.500 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2LiInCl6 | ICSD | 65735 | R-3m (166) | ✔ | 20 | 152 | 1 | 3.5009 | 3.501 | 0.000 | (0;000) | ✗ | 22/03/17 |