| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsAuC2 | ICSD | 411251 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.6056 | 1.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaSi | ICSD | 190659 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.007 | 0.172 | (1;000) | ✗ | 06/10/16 |
| GaAs | ICSD | 190423 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.685 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaGe | ICSD | 185653 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.031 | 0.197 | (0;110) | ✗ | 06/10/16 |
| TaB | COD | 2310099 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.035 | 0.321 | (1;000) | ✗ | 27/01/17 |
| TiH | ICSD | 56181 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.468 | (0;011) | ✗ | 27/01/17 |
| CaGa | ICSD | 260641 | Ccmm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 06/10/16 |
| LiIr3 | ICSD | 104488 | Im2m (44) | ✗ | 4 | 30 | 3 | 0.0 | 0.003 | 0.660 | (0;111) | ✔ | 06/10/16 |
| Ca | ICSD | 168757 | Pnma (62) | ✔ | 4 | 40 | 3 | 0.0 | 0.012 | 0.267 | (1;000) | ✗ | 27/01/17 |
| Br | COD | 9013118 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.7043 | 1.768 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnH | ICSD | 108535 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.001 | 0.817 | (0;000) | ✗ | 27/01/17 |
| Br | COD | 1512496 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.1847 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2BrN | COD | 1528372 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8948 | 1.895 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrBr | COD | 4343762 | R-3m (166) | ✔ | 4 | 22 | 2 | 0.0 | 0.043 | 0.167 | (0;111) | ✗ | 27/01/17 |
| VB | COD | 2310100 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.019 | 0.325 | (1;000) | ✗ | 27/01/17 |
| InSe | ICSD | 32714 | C2/m (12) | ✔ | 4 | 38 | 2 | 1.1651 | 1.346 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoH | ICSD | 108537 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.834 | (0;000) | ✗ | 27/01/17 |
| NbInS2 | ICSD | 74702 | P-6m2 (187) | ✗ | 4 | 38 | 2 | 0.0 | 0.014 | 0.412 | (0;000) | ✔ | 06/10/16 |
| InSe | ICSD | 1884 | R3m (160) | ✗ | 4 | 38 | 2 | 0.4229 | 0.424 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BN | COD | 1010331 | P6/mmm (191) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.351 | (0;000) | ✗ | 27/01/17 |
| BN | COD | 2016173 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 4.1848 | 4.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BPt | COD | 1511304 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.556 | (1;000) | ✗ | 27/01/17 |
| YCo | ICSD | 20954 | Cmcm (63) | ✔ | 4 | 56 | 3 | 0.0 | 0.028 | 0.138 | (0;000) | ✗ | 27/01/17 |
| InSb | ICSD | 190430 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.021 | 0.007 | (1;000) | ✔ | 06/10/16 |
| TlBr | ICSD | 109144 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.8054 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InBr | ICSD | 23126 | Ccmm (63) | ✔ | 4 | 40 | 3 | 1.3218 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C | COD | 9011577 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.060 | (0;000) | ✗ | 27/01/17 |
| HgTe | ICSD | 56658 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.062 | 0.439 | (0;110) | ✗ | 27/01/17 |
| BPt | COD | 9008910 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.822 | (0;000) | ✗ | 27/01/17 |
| InP | ICSD | 180911 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5486 | 0.549 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InBr | COD | 9008982 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.3219 | 1.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ti3Hg | COD | 1522698 | Pm-3m (221) | ✔ | 4 | 48 | 3 | 0.0 | 0.014 | 0.459 | (1;000) | ✗ | 27/01/17 |
| BC2N | ICSD | 191797 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 2.0673 | 2.222 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InN | ICSD | 181366 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.003 | 0.008 | (1;000) | ✔ | 06/10/16 |
| ScIn3 | ICSD | 59524 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.030 | 0.389 | (0;111) | ✗ | 27/01/17 |
| TeIr | COD | 9008897 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
| IBr | ICSD | 22120 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.2772 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrHgO2 | ICSD | 165068 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.9967 | 2.621 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgPt3 | ICSD | 24930 | Cmmm (65) | ✔ | 4 | 42 | 3 | 0.0 | 0.014 | 0.828 | (1;111) | ✗ | 27/01/17 |
| ZrHg3 | COD | 1522700 | Pm-3m (221) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.688 | (1;111) | ✗ | 27/01/17 |
| CrB | COD | 2310092 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.835 | (0;110) | ✗ | 05/01/17 |
| LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2BrN | ICSD | 153105 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.4019 | 2.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CuBr | COD | 9013931 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 0.7515 | 0.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgPt3 | ICSD | 639147 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.463 | (1;000) | ✗ | 27/01/17 |
| SrHfN2 | ICSD | 82538 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.3566 | 0.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfNi2Sn | COD | 1523151 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.010 | 0.231 | (1;000) | ✗ | 27/01/17 |
| CuBr | ICSD | 30091 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.4343 | 0.434 | 0.000 | (0;000) | ✔ | 27/01/17 |
| NbB | COD | 1511254 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.024 | 0.365 | (1;000) | ✗ | 27/01/17 |
| BMo | ICSD | 614812 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.780 | (0;000) | ✗ | 27/01/17 |