| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K2S | ICSD | 27461 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.076 | 1.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrNiP2 | ICSD | 646193 | P4/nmm (129) | ✔ | 8 | 48 | 2 | 0.0 | 0.001 | 0.336 | (1;000) | ✗ | 27/01/17 |
| PdO | COD | 1009031 | P4_2/mmc (131) | ✔ | 4 | 48 | 3 | 0.0 | 0.018 | 0.125 | (0;000) | ✗ | 27/01/17 |
| TiO2 | COD | 9007432 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 1.9813 | 1.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbSrCO3F | ICSD | 262233 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.2648 | 4.268 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4CN2O | COD | 1008786 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1355 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbBi | ICSD | 9787 | Pmmn (59) | ✔ | 4 | 48 | 1 | 0.0 | 0.002 | 0.246 | (0;000) | ✗ | 02/02/17 |
| Zr2SeN2 | ICSD | 424266 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.0 | 1.360 | 0.034 | (0;000) | ✗ | 27/01/17 |
| Li2GePbS4 | ICSD | 281011 | I-42m (121) | ✗ | 8 | 48 | 2 | 1.4519 | 1.524 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Mg(BH4)2 | ICSD | 262083 | P4_2nm (102) | ✗ | 22 | 48 | 3 | 5.5084 | 5.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgW | COD | 9015083 | Pmma (51) | ✔ | 4 | 48 | 1 | 0.0 | 0.094 | 0.191 | (0;000) | ✗ | 27/01/17 |
| NaAlTe2 | ICSD | 44701 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 1.3954 | 1.477 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Mg2Si | ICSD | 108584 | Fd-3m (227) | ✔ | 6 | 48 | 3 | 0.0 | 0.468 | 0.440 | (0;000) | ✗ | 27/01/17 |
| Na2S | COD | 2106221 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 2.4792 | 2.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiZn3 | COD | 1527931 | Pm-3m (221) | ✔ | 4 | 48 | 3 | 0.0 | 0.000 | 0.713 | (1;111) | ✗ | 27/01/17 |
| Fe3S4 | ICSD | 44885 | R3m (160) | ✗ | 7 | 48 | 2 | 0.0 | 0.008 | 0.769 | ? | ✗ | 15/02/17 |
| KCaCO3F | COD | 2203515 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.4344 | 4.439 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PtPb | COD | 1522617 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.032 | 0.702 | (0;000) | ✗ | 27/01/17 |
| Cs2S | ICSD | 27463 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.3455 | 1.346 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbNaS | COD | 9007814 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.3693 | 2.442 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TePd | COD | 9008909 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.000 | 0.424 | (0;000) | ✗ | 27/01/17 |
| Ge2Te5As2 | ICSD | 68112 | P-3m1 (164) | ✔ | 9 | 48 | 2 | 0.1138 | 0.188 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiCN | COD | 9008984 | Pnma (62) | ✔ | 12 | 48 | 1 | 5.7574 | 5.757 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReNCl4 | COD | 7221223 | P1 (1) | ✗ | 6 | 48 | 1 | 1.2934 | 1.382 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MoPt | ICSD | 644160 | Pmma (51) | ✔ | 4 | 48 | 3 | 0.0 | 0.065 | 0.516 | (0;101) | ✗ | 27/01/17 |