| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NaBi | ICSD | 58816 | P4/mmm (123) | ✔ | 2 | 14 | 2 | 0.0 | 0.106 | 0.422 | (1;000) | ✗ | 06/10/16 |
| AgF | COD | 9008598 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.869 | 0.118 | (0;000) | ✗ | 05/01/17 |
| CsCl | COD | 9008620 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.9154 | 4.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaN | ICSD | 167876 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.290 | (1;000) | ✔ | 04/10/16 |
| ScAg | COD | 1509537 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.602 | (0;111) | ✗ | 05/01/17 |
| HgSe | ICSD | 24175 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.023 | (1;000) | ✔ | 06/10/16 |
| CuBr | ICSD | 23989 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3072 | 0.310 | 0.000 | (0;000) | ✔ | 06/10/16 |
| HgTe | ICSD | 162602 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.018 | (1;000) | ✔ | 06/10/16 |
| AlAu | ICSD | 57495 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.006 | 0.526 | (0;111) | ✗ | 05/01/17 |
| ScBi | ICSD | 58856 | Fm-3m (225) | ✔ | 2 | 26 | 3 | 0.0 | 0.008 | 0.261 | (1;000) | ✗ | 05/01/17 |
| TaN | ICSD | 290395 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.080 | (1;100) | ✔ | 04/10/16 |
| SnS | ICSD | 43409 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.025 | 0.304 | (0;000) | ✔ | 06/10/16 |
| RbSb | ICSD | 191491 | F-43m (216) | ✗ | 2 | 14 | 1 | 0.0 | 0.000 | 0.134 | (0;000) | ✔ | 06/10/16 |
| ScP | ICSD | 188693 | F-43m (216) | ✗ | 2 | 16 | 3 | 1.5616 | 1.562 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeNi | ICSD | 616363 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.033 | 0.428 | (0;000) | ✗ | 05/01/17 |
| CsH | ICSD | 53235 | Pm-3m (221) | ✔ | 2 | 10 | 3 | 2.5955 | 2.596 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InN | ICSD | 157514 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.007 | (1;000) | ✔ | 06/10/16 |
| CsBr | COD | 9009744 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.014 | 0.590 | (1;000) | ✗ | 27/01/17 |
| InP | ICSD | 165466 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3939 | 0.394 | 0.000 | (0;000) | ✔ | 06/10/16 |
| KBr | ICSD | 290557 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 2.0789 | 2.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InSb | ICSD | 10021 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.061 | 0.615 | (0;001) | ✔ | 06/10/16 |
| TlBr | ICSD | 61519 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 1.7789 | 1.779 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BAs | ICSD | 181292 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.0744 | 3.121 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InSb | ICSD | 57396 | Pmm2 (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.047 | 0.593 | (0;011) | ✔ | 06/10/16 |
| CsI | COD | 2106199 | P4/mmm (123) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.705 | (0;000) | ✗ | 22/12/16 |
| TlP | ICSD | 184576 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.014 | (1;000) | ✔ | 06/10/16 |
| CaTe | ICSD | 52792 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 0.0 | 0.005 | 0.125 | (1;000) | ✗ | 27/01/17 |
| CuCl | COD | 9013928 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5958 | 1.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiIr | ICSD | 104487 | P-6m2 (187) | ✗ | 2 | 12 | 2 | 0.0 | 0.124 | 0.202 | (0;000) | ✔ | 06/10/16 |
| IrN | ICSD | 167880 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.146 | 0.582 | (0;000) | ✔ | 06/10/16 |
| GaAs | ICSD | 107946 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.4268 | 0.427 | 0.000 | (0;000) | ✔ | 06/10/16 |
| ZnS | ICSD | 107611 | R3m (160) | ✗ | 2 | 18 | 3 | 2.1125 | 2.113 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdO | COD | 9006677 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.039 | 0.074 | (0;000) | ✗ | 27/01/17 |
| NaCl | COD | 2104025 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 4.381 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoC | ICSD | 618302 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 27/01/17 |
| CdC | ICSD | 183178 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.000 | 0.842 | (0;000) | ✔ | 06/10/16 |
| BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbBr | COD | 9008706 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.2029 | 4.203 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CrC | ICSD | 181709 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.443 | (0;100) | ✔ | 06/10/16 |
| GaAs | ICSD | 43950 | I2mm (44) | ✗ | 2 | 18 | 3 | 0.0 | 0.036 | 0.463 | (0;111) | ✔ | 06/10/16 |
| Co | COD | 9011615 | P6_3/mmc (194) | ✔ | 2 | 34 | 3 | 0.0 | 0.000 | 0.926 | (0;000) | ✗ | 27/01/17 |
| GaAs | ICSD | 43951 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.019 | 0.600 | (0;011) | ✔ | 06/10/16 |
| RhN | ICSD | 167872 | F-43m (216) | ✗ | 2 | 22 | 3 | 0.0 | 0.031 | 0.689 | (1;000) | ✔ | 06/10/16 |
| TlBr | COD | 9008825 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.2438 | 1.649 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GeC | ICSD | 182363 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.5913 | 3.553 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgS | ICSD | 159401 | F-43m (216) | ✗ | 2 | 16 | 3 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgSe | ICSD | 159398 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.3963 | 2.396 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfC | ICSD | 185992 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.2904 | 0.290 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BrN | COD | 9015934 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.067 | 0.688 | (0;000) | ✗ | 27/01/17 |