| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ca | COD | 9012731 | Fm-3m (225) | ✔ | 1 | 10 | 1 | 0.0 | 0.012 | 0.456 | (0;000) | ✗ | 27/01/17 |
| BeSe | ICSD | 53934 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 0.0 | 2.642 | 0.027 | (0;000) | ✗ | 05/01/17 |
| Ca | COD | 9008530 | Im-3m (229) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.444 | (0;000) | ✗ | 27/01/17 |
| ZrB2 | COD | 1510857 | P6/mmm (191) | ✔ | 3 | 10 | 3 | 0.0 | 0.022 | 0.126 | (0;001) | ✗ | 05/01/17 |
| LiBr | COD | 9008664 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 4.7584 | 4.758 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeS | ICSD | 183373 | F-43m (216) | ✗ | 2 | 10 | 1 | 3.0264 | 5.598 | 0.000 | (0;000) | ✗ | 06/10/16 |
| As | COD | 9008574 | R-3m (166) | ✔ | 2 | 10 | 2 | 0.0 | 0.074 | 0.060 | (1;111) | ✗ | 05/01/17 |
| GeTe | ICSD | 56037 | Fm-3m (225) | ✔ | 2 | 10 | 3 | 0.2145 | 0.215 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeTe | ICSD | 159907 | R3m (160) | ✗ | 2 | 10 | 3 | 0.3876 | 0.455 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Sr | ICSD | 109027 | P4/mmm (123) | ✔ | 1 | 10 | 1 | 0.0 | 0.001 | 0.587 | (0;000) | ✗ | 27/01/17 |
| NCl | COD | 9016568 | P4mm (99) | ✗ | 2 | 12 | 1 | 0.0 | 0.012 | 0.009 | (0;000) | ✔ | 15/02/17 |
| O2 | ICSD | 37059 | Fmmm (69) | ✔ | 2 | 12 | 1 | 0.0 | 0.030 | 0.606 | (0;000) | ✗ | 27/01/17 |
| Se | ICSD | 659254 | C2/c (15) | ✔ | 2 | 12 | 3 | 0.0 | 0.230 | 0.511 | (0;110) | ✗ | 15/02/17 |
| O2 | ICSD | 92775 | Cmcm (63) | ✔ | 2 | 12 | 1 | 0.0 | 0.025 | 0.339 | (0;000) | ✗ | 27/01/17 |
| O2 | COD | 1512527 | C2/m (12) | ✔ | 2 | 12 | 1 | 0.0 | 0.027 | 0.813 | (0;000) | ✗ | 27/01/17 |
| O2 | ICSD | 190369 | R-3m (166) | ✔ | 2 | 12 | 1 | 0.0 | 0.027 | 0.525 | (0;000) | ✗ | 27/01/17 |
| SO | COD | 7102430 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.038 | 0.656 | (0;000) | ✗ | 27/01/17 |
| IN | COD | 9015547 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.005 | 0.477 | (1;111) | ✗ | 30/01/17 |
| Cd | COD | 4030924 | P-1 (2) | ✔ | 1 | 12 | 1 | 4.3147 | 4.315 | 0.000 | (0;000) | ✗ | 02/02/17 |
| IN | COD | 9014835 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.034 | 0.639 | (0;000) | ✗ | 30/01/17 |
| Zn | COD | 4030923 | P-1 (2) | ✔ | 1 | 12 | 1 | 4.7443 | 4.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlH3 | COD | 4343801 | R-3c (167) | ✔ | 8 | 12 | 3 | 2.287 | 2.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2Se | COD | 9009061 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.8431 | 3.253 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2O | COD | 1514092 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 4.981 | 5.252 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiAl | ICSD | 608345 | Fd-3m (227) | ✔ | 4 | 12 | 3 | 0.0 | 0.458 | 0.208 | (0;000) | ✗ | 05/01/17 |
| Li2S | COD | 9009060 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 3.3651 | 4.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiAl3 | ICSD | 57952 | Pm-3m (221) | ✔ | 4 | 12 | 3 | 0.0 | 0.000 | 0.820 | (0;000) | ✗ | 05/01/17 |
| Li2Te | COD | 9009062 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.2058 | 2.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Se | ICSD | 150731 | Fd-3m (227) | ✔ | 2 | 12 | 3 | 0.0 | 0.198 | 0.423 | (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 |
| Hg | COD | 1512511 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.588 | 0.248 | (0;000) | ✗ | 27/01/17 |
| Hg | ICSD | 43558 | I4/mmm (139) | ✔ | 1 | 12 | 3 | 0.0 | 0.043 | 0.465 | (1;111) | ✗ | 27/01/17 |
| Hf | ICSD | 76412 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.000 | 0.525 | (0;000) | ✗ | 27/01/17 |
| Hg | ICSD | 174005 | R-3m (166) | ✔ | 1 | 12 | 3 | 0.0 | 0.032 | 0.397 | (1;000) | ✗ | 27/01/17 |
| Te | ICSD | 52499 | R-3m (166) | ✔ | 2 | 12 | 3 | 0.0 | 0.136 | 0.557 | (1;000) | ✗ | 27/01/17 |
| Ti | COD | 9012924 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.000 | 0.546 | (0;000) | ✗ | 27/01/17 |
| Be2C | COD | 9009053 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 1.1755 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NCl | COD | 9007494 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.011 | 0.693 | (0;000) | ✗ | 27/01/17 |
| BrN | COD | 9015934 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.067 | 0.688 | (0;000) | ✗ | 27/01/17 |
| BrN | COD | 9016337 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.007 | 0.619 | (0;000) | ✗ | 27/01/17 |
| LiB | ICSD | 236960 | P6_3/mmc (194) | ✔ | 4 | 12 | 1 | 0.0 | 0.002 | 0.218 | (0;000) | ✗ | 27/01/17 |
| SiH8 | ICSD | 169739 | I-4m2 (119) | ✗ | 9 | 12 | 1 | 6.0135 | 6.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2O | ICSD | 28919 | Fm-3m (225) | ✔ | 3 | 12 | 3 | 0.0 | 0.005 | 0.231 | (0;000) | ✗ | 05/01/17 |
| ZrBe2 | ICSD | 616515 | P6/mmm (191) | ✔ | 3 | 12 | 1 | 0.0 | 0.004 | 0.679 | (0;000) | ✗ | 05/01/17 |
| PtC | ICSD | 169405 | P-6m2 (187) | ✗ | 2 | 14 | 3 | 0.0 | 0.012 | 0.443 | (1;000) | ✔ | 06/10/16 |
| ZrPt | COD | 1523369 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.000 | 0.829 | (0;111) | ✗ | 27/01/17 |
| PtC | ICSD | 181113 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.018 | 0.705 | (1;000) | ✔ | 06/10/16 |
| NaBi | ICSD | 58816 | P4/mmm (123) | ✔ | 2 | 14 | 2 | 0.0 | 0.106 | 0.422 | (1;000) | ✗ | 06/10/16 |