| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PbSe | COD | 9008695 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.2077 | 0.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiRu | ICSD | 650627 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.001 | 0.162 | (0;000) | ✗ | 27/01/17 |
| PbS | ICSD | 77865 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.271 | 0.306 | (1;111) | ✗ | 27/01/17 |
| NaLi2N | COD | 1526565 | P6/mmm (191) | ✔ | 4 | 20 | 1 | 0.0 | 0.010 | 0.057 | (1;000) | ✗ | 27/01/17 |
| P | ICSD | 162244 | Cmcm (63) | ✔ | 4 | 20 | 1 | 0.0 | 0.006 | 0.785 | (0;110) | ✗ | 27/01/17 |
| LiCdP | ICSD | 52813 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.0 | 0.062 | 0.188 | (0;000) | ✔ | 15/02/17 |
| RuC | ICSD | 43671 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.015 | 0.329 | (0;000) | ✔ | 06/10/16 |
| RuC | ICSD | 181771 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.5257 | 0.839 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PtN2 | ICSD | 290445 | P-6m2 (187) | ✗ | 3 | 20 | 3 | 0.0 | 0.007 | 0.161 | (1;100) | ✔ | 06/10/16 |
| OsC | ICSD | 185996 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.341 | 0.015 | (0;000) | ✔ | 06/10/16 |
| OsC | ICSD | 169403 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.000 | 0.436 | (0;100) | ✔ | 06/10/16 |
| TcN | ICSD | 167870 | F-43m (216) | ✗ | 2 | 20 | 3 | 6.2963 | 0.005 | 1.000 | (0;000) | ✗ | 06/10/16 |
| Zr2Zn | ICSD | 653511 | I4/mmm (139) | ✔ | 3 | 20 | 3 | 0.0 | 0.032 | 0.475 | (0;111) | ✗ | 27/01/17 |
| MnAs | ICSD | 184925 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.038 | 0.075 | (0;000) | ✔ | 06/10/16 |
| ZrOs | COD | 1523503 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.110 | 0.248 | (1;111) | ✗ | 27/01/17 |
| Li2MgSi | ICSD | 181255 | F-43m (216) | ✗ | 4 | 20 | 3 | 0.1016 | 2.053 | 0.000 | (0;000) | ✔ | 06/10/16 |
| TlCl | COD | 9008794 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.6046 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HC | ICSD | 187642 | I2_13 (199) | ✗ | 8 | 20 | 3 | 4.8022 | 6.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2Si | ICSD | 24146 | C2/m (12) | ✔ | 6 | 20 | 1 | 0.0 | 0.011 | 0.500 | (1;001) | ✔ | 27/01/17 |
| LiRh | ICSD | 150551 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.034 | 0.321 | (0;100) | ✔ | 06/10/16 |
| TlCl | ICSD | 61518 | Fm-3m (225) | ✔ | 2 | 20 | 1 | 1.994 | 1.994 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2TeC2 | COD | 7220792 | P-3m1 (164) | ✔ | 5 | 20 | 1 | 0.0 | 0.036 | 0.234 | (0;000) | ✗ | 27/01/17 |
| SiOs | ICSD | 43417 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.000 | 0.163 | (1;111) | ✗ | 27/01/17 |
| ZrTe | COD | 9008925 | P6_3/mmc (194) | ✔ | 4 | 20 | 3 | 0.0 | 0.003 | 0.505 | (0;000) | ✗ | 27/01/17 |
| CsAu | COD | 1517937 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 1.0321 | 1.117 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li3Au | COD | 1510223 | Fm-3m (225) | ✔ | 4 | 20 | 3 | 0.0 | 0.253 | 0.656 | (0;000) | ✗ | 05/01/17 |
| RbAu | COD | 1517938 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 0.1979 | 1.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
| B2W | COD | 1510851 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.000 | 0.751 | (0;001) | ✗ | 05/01/17 |
| LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AuCN | ICSD | 85782 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.999 | 0.053 | (0;000) | ✔ | 06/10/16 |
| ZrS | COD | 9008959 | P4/nmm (129) | ✔ | 4 | 20 | 2 | 0.0 | 0.023 | 0.200 | (0;000) | ✗ | 27/01/17 |
| B2Mo | COD | 1510763 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.003 | 0.667 | (1;000) | ✗ | 05/01/17 |
| Sr | COD | 9012728 | P6_3/mmc (194) | ✔ | 2 | 20 | 1 | 0.0 | 0.009 | 0.365 | (0;000) | ✗ | 27/01/17 |
| ReN | ICSD | 167878 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.030 | 0.330 | (1;000) | ✔ | 04/10/16 |
| N2 | COD | 9012475 | P4_2/mnm (136) | ✔ | 4 | 20 | 1 | 7.1756 | 7.385 | 0.000 | (0;000) | ✗ | 27/01/17 |
| As | COD | 9008573 | Cmce (64) | ✔ | 4 | 20 | 2 | 0.0 | 0.219 | 0.019 | (0;000) | ✗ | 05/01/17 |
| N2 | COD | 9012477 | P6_3/mmc (194) | ✔ | 4 | 20 | 1 | 6.0626 | 6.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlCo | ICSD | 187973 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.027 | 0.322 | (0;000) | ✗ | 05/01/17 |
| CaN2 | ICSD | 423721 | I4/mmm (139) | ✔ | 3 | 20 | 1 | 0.0 | 0.006 | 0.578 | (0;000) | ✗ | 27/01/17 |
| CrB2 | COD | 1510641 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.008 | 0.696 | (0;001) | ✗ | 05/01/17 |
| AlIr | ICSD | 608241 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.099 | 0.273 | (0;000) | ✗ | 05/01/17 |
| AgCN | ICSD | 85783 | R3m (160) | ✗ | 3 | 20 | 1 | 2.5177 | 3.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ni | COD | 9013007 | P6_3/mmc (194) | ✔ | 2 | 20 | 3 | 0.0 | 0.001 | 0.590 | (1;000) | ✗ | 27/01/17 |
| SnTe | COD | 9008726 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1954 | 0.233 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnTe | ICSD | 52489 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1897 | 0.223 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AuCN | ICSD | 165173 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.997 | 0.042 | (0;000) | ✔ | 06/10/16 |
| NiPt | ICSD | 646297 | P4/mmm (123) | ✔ | 2 | 20 | 3 | 0.0 | 0.008 | 0.525 | (0;000) | ✗ | 27/01/17 |
| Sr | COD | 9011726 | I4_1/amd (141) | ✔ | 2 | 20 | 1 | 0.0 | 0.003 | 0.174 | (1;111) | ✗ | 27/01/17 |
| TiSi2 | ICSD | 86810 | Fmmm (69) | ✔ | 3 | 20 | 3 | 0.0 | 0.003 | 0.728 | (1;000) | ✗ | 06/10/16 |