| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SrLiP | ICSD | 56443 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.3973 | 0.955 | 0.000 | (0;000) | ✔ | 06/10/16 |
| HfO2 | COD | 9009016 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 3.8709 | 3.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaC2 | ICSD | 74665 | I4/mmm (139) | ✔ | 3 | 18 | 1 | 1.6401 | 2.615 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Hf2Pd | COD | 1522586 | I4/mmm (139) | ✔ | 3 | 42 | 3 | 0.0 | 0.042 | 0.548 | (1;111) | ✗ | 27/01/17 |
| KZnSb | ICSD | 44680 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2326 | 0.390 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Al2Pd | ICSD | 58116 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.0 | 0.018 | 0.855 | (0;000) | ✗ | 05/01/17 |
| Hf2Zn | ICSD | 639016 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.056 | 0.428 | (0;111) | ✗ | 27/01/17 |
| Hg | ICSD | 157861 | C2/m (12) | ✔ | 3 | 36 | 3 | 0.0 | 0.036 | 0.401 | (1;000) | ✗ | 27/01/17 |
| Mg2Ge | COD | 9009014 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.0 | 1.011 | 0.030 | (0;000) | ✗ | 27/01/17 |
| H2Se | ICSD | 24584 | Fm-3m (225) | ✔ | 3 | 8 | 1 | 0.0 | 0.000 | 0.366 | (0;000) | ✗ | 27/01/17 |
| SrGe2 | COD | 7221212 | P-3m1 (164) | ✔ | 3 | 18 | 2 | 0.0 | 0.082 | 0.109 | (1;001) | ✗ | 27/01/17 |
| Ga2Pt | COD | 9009033 | Fm-3m (225) | ✔ | 3 | 36 | 3 | 0.0 | 0.050 | 0.831 | (0;000) | ✗ | 27/01/17 |
| Ge2W | ICSD | 9978 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.047 | 0.375 | (0;000) | ✗ | 27/01/17 |
| H2S | ICSD | 24582 | Fm-3m (225) | ✔ | 3 | 8 | 1 | 0.0 | 0.000 | 0.304 | (1;000) | ✗ | 27/01/17 |
| HgF2 | COD | 9009017 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 0.4966 | 0.497 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrF2 | COD | 9016413 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.1886 | 7.257 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cu2Se | ICSD | 56025 | Fm-3m (225) | ✔ | 3 | 28 | 3 | 0.0 | 0.000 | 0.022 | (1;000) | ✗ | 27/01/17 |
| NiS2 | ICSD | 169574 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.004 | 0.793 | (0;000) | ✗ | 06/10/16 |
| Y2C | ICSD | 96329 | R-3m (166) | ✔ | 3 | 26 | 3 | 0.0 | 0.012 | 0.308 | (1;111) | ✗ | 27/01/17 |
| TiH2 | ICSD | 166235 | Fm-3m (225) | ✔ | 3 | 14 | 3 | 0.0 | 0.016 | 0.315 | (1;000) | ✗ | 27/01/17 |
| OsC2 | ICSD | 168279 | P-6m2 (187) | ✗ | 3 | 24 | 3 | 0.0 | 0.011 | 0.061 | (1;000) | ✔ | 04/10/16 |
| Bi2Pd | ICSD | 56280 | I4/mmm (139) | ✔ | 3 | 20 | 2 | 0.0 | 0.386 | 0.383 | (1;000) | ✗ | 06/10/16 |
| Sc2C | ICSD | 280743 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.001 | 0.283 | (1;001) | ✗ | 27/01/17 |
| Cs2O | COD | 9009127 | R-3m (166) | ✔ | 3 | 24 | 2 | 1.3737 | 2.086 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cu2S | ICSD | 628818 | Fm-3m (225) | ✔ | 3 | 28 | 3 | 0.035 | 0.037 | 0.000 | (1;000) | ✗ | 27/01/17 |
| Nb2C | ICSD | 43670 | P-3m1 (164) | ✔ | 3 | 30 | 3 | 0.0 | 0.088 | 0.234 | (1;000) | ✗ | 27/01/17 |
| PbF2 | COD | 9009027 | Fm-3m (225) | ✔ | 3 | 28 | 3 | 4.0292 | 4.173 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PoCl2 | ICSD | 26650 | Pmmm (47) | ✔ | 3 | 30 | 3 | 0.0 | 0.728 | 0.398 | (0;000) | ✗ | 06/10/16 |
| CrSe2 | ICSD | 626718 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.094 | 0.232 | (1;001) | ✗ | 27/01/17 |
| Ta2C | COD | 8101059 | P-3m1 (164) | ✔ | 3 | 30 | 3 | 0.0 | 0.355 | 0.178 | (1;000) | ✗ | 27/01/17 |
| TiH2 | ICSD | 169609 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.017 | 0.130 | (1;000) | ✗ | 27/01/17 |
| SrGa2 | ICSD | 150473 | P6/mmm (191) | ✔ | 3 | 36 | 2 | 0.0 | 0.002 | 0.595 | (0;001) | ✗ | 27/01/17 |
| Ge2Mo | ICSD | 76139 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.051 | 0.327 | (1;111) | ✗ | 27/01/17 |
| HgO2 | ICSD | 48214 | C2/m (12) | ✔ | 3 | 24 | 3 | 0.8828 | 1.430 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiCl2 | COD | 9009121 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.003 | 0.554 | (0;000) | ✗ | 27/01/17 |
| ZnCl2 | COD | 9009136 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.1235 | 3.189 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BePd2 | ICSD | 107609 | I4/mmm (139) | ✔ | 3 | 40 | 3 | 0.0 | 0.020 | 0.675 | (0;000) | ✗ | 05/01/17 |
| SrCl2 | COD | 1010899 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.2948 | 5.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeCl2 | COD | 9015767 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5433 | 0.550 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgCl2 | COD | 8103685 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 5.5256 | 5.526 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeCl2 | COD | 9009128 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4056 | 0.438 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 0.000 | (0;000) | ✗ | 06/10/16 |
| FeCl2 | COD | 9014952 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4967 | 0.504 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgCl2 | COD | 9009129 | R-3m (166) | ✔ | 3 | 24 | 2 | 5.3598 | 5.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfN2 | ICSD | 290427 | P-6m2 (187) | ✗ | 3 | 22 | 3 | 0.0 | 0.033 | 0.203 | (0;000) | ✔ | 06/10/16 |
| Ti2Cd | COD | 1525205 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.003 | 0.217 | (1;111) | ✗ | 27/01/17 |
| HfS2 | ICSD | 638847 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 1.0013 | 1.870 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCN | ICSD | 27352 | Cm (8) | ✗ | 3 | 18 | 1 | 5.6021 | 6.193 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zr2Cd | ICSD | 620613 | I4/mmm (139) | ✔ | 3 | 20 | 3 | 0.0 | 0.011 | 0.205 | (0;111) | ✗ | 27/01/17 |