| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ba(AlTe2)2 | ICSD | 41165 | P4/nbm (125) | ✔ | 14 | 80 | 1 | 1.3483 | 1.348 | 0.000 | (0;000) | ✗ | 30/01/17 |
| FeSe2 | ICSD | 633475 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.4059 | 0.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiAs2 | COD | 9012502 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.013 | 0.319 | (0;000) | ✗ | 05/01/17 |
| Sr2MgWO6 | ICSD | 152575 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 2.6761 | 2.676 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbS | ICSD | 648451 | Pnma (62) | ✔ | 8 | 80 | 3 | 1.2827 | 1.314 | 0.000 | (0;000) | ✗ | 27/01/17 |
| As3(HO2)5 | COD | 2310419 | P-1 (2) | ✔ | 18 | 80 | 3 | 3.5509 | 3.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgTe(PbO3)2 | COD | 1008899 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 2.7142 | 2.714 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgSO4 | COD | 2300128 | Cmcm (63) | ✔ | 12 | 80 | 3 | 5.931 | 5.983 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KLi6IrO6 | ICSD | 61692 | R-3m (166) | ✔ | 14 | 80 | 1 | 0.3634 | 0.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PAuS4 | COD | 1510268 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.0351 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsF5 | ICSD | 65477 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 5.6073 | 5.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr(AlS2)2 | ICSD | 609259 | Cccm (66) | ✔ | 14 | 80 | 1 | 3.807 | 3.844 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Zr5Sb3As | ICSD | 611352 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.005 | 0.819 | (0;000) | ✗ | 30/01/17 |
| NaNbO3 | COD | 9015979 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.8433 | 3.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbO3 | COD | 2002944 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 1.6578 | 1.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(AlSe2)2 | ICSD | 609319 | Cccm (66) | ✔ | 14 | 80 | 1 | 3.0219 | 3.024 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na2PtSe2 | ICSD | 40429 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.8836 | 1.266 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnAs | ICSD | 9496 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.006 | 0.343 | (1;000) | ✗ | 05/01/17 |
| MnAs | COD | 2310698 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.017 | 0.497 | (0;000) | ✗ | 05/01/17 |
| ScAsO4 | ICSD | 155920 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.1602 | 4.160 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YAsO4 | COD | 1010919 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 3.2433 | 3.280 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CrTe | COD | 1525992 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.465 | (1;000) | ✗ | 27/01/17 |
| Na2PtS2 | ICSD | 87219 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 1.1175 | 1.485 | 0.000 | (0;000) | ✗ | 06/10/16 |