| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CdF2 | COD | 9009006 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 3.0777 | 3.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrAl3 | COD | 2100751 | I4/mmm (139) | ✔ | 8 | 26 | 3 | 0.0 | 0.005 | 0.764 | (0;000) | ✗ | 05/01/17 |
| BPt | COD | 9008910 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.822 | (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 |
| NiB | COD | 9008947 | Cmcm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.399 | (0;110) | ✗ | 27/01/17 |
| CrS2 | ICSD | 75420 | C2/m (12) | ✔ | 3 | 26 | 2 | 0.0 | 0.051 | 0.157 | (0;100) | ✔ | 04/10/16 |
| KZnAs | ICSD | 43985 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2099 | 0.326 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Ba2HN | COD | 4030485 | R-3m (166) | ✔ | 4 | 26 | 1 | 1.046 | 1.336 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZrH | ICSD | 169451 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.564 | (0;011) | ✗ | 06/10/16 |
| TiH | ICSD | 168325 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.512 | (0;011) | ✗ | 06/10/16 |
| LiYS2 | ICSD | 44957 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.6757 | 2.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiYSe2 | ICSD | 44963 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.0914 | 2.359 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiScS2 | ICSD | 642305 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.5243 | 2.409 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrGeSb | ICSD | 85000 | P4/nmm (129) | ✔ | 6 | 26 | 3 | 0.0 | 0.000 | 0.893 | (0;001) | ✗ | 27/01/17 |
| CrSe2 | ICSD | 626718 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.094 | 0.232 | (1;001) | ✗ | 27/01/17 |
| KZnSb | ICSD | 44680 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2326 | 0.390 | 0.000 | (0;000) | ✔ | 06/10/16 |
| NaNO2 | ICSD | 76000 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.5278 | 2.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNO2 | ICSD | 82857 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.4951 | 2.675 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2LiN | COD | 1526569 | P6/mmm (191) | ✔ | 4 | 26 | 2 | 0.0 | 0.012 | 0.037 | (1;000) | ✗ | 27/01/17 |
| LiNO3 | COD | 1011340 | R-3m (166) | ✔ | 5 | 26 | 3 | 0.0 | 0.012 | 0.680 | (1;111) | ✗ | 27/01/17 |
| ZnCl2 | COD | 9009136 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.1235 | 3.189 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNO2 | ICSD | 9265 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5403 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNO2 | ICSD | 26764 | Cm (8) | ✗ | 4 | 26 | 1 | 2.3753 | 2.619 | 0.000 | (0;000) | ✗ | 06/10/16 |
| OsN2 | ICSD | 290439 | P-6m2 (187) | ✗ | 3 | 26 | 3 | 0.0 | 0.000 | 0.655 | (0;100) | ✔ | 06/10/16 |
| Sb3Au | COD | 1510290 | Im-3m (229) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.613 | (1;000) | ✗ | 05/01/17 |
| KNO2 | ICSD | 36202 | Cm (8) | ✗ | 4 | 26 | 1 | 0.0 | 0.017 | 0.075 | (1;100) | ✔ | 06/10/16 |
| CrB4 | COD | 1511720 | Immm (71) | ✔ | 5 | 26 | 3 | 0.0 | 0.015 | 0.101 | (1;111) | ✗ | 05/01/17 |
| NaNO2 | ICSD | 68707 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.4546 | 2.635 | 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 |
| ZnI2 | ICSD | 48016 | P6/mmm (191) | ✔ | 3 | 26 | 3 | 0.0 | 0.089 | 0.339 | (0;000) | ✗ | 30/01/17 |
| BeAu2 | ICSD | 150581 | I4/mmm (139) | ✔ | 3 | 26 | 3 | 0.0 | 0.002 | 0.577 | (1;000) | ✗ | 05/01/17 |
| FeN | COD | 1524693 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.679 | (0;000) | ✗ | 27/01/17 |
| NaNO2 | ICSD | 60765 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.6408 | 2.815 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MoSe2 | ICSD | 16948 | R3m (160) | ✗ | 3 | 26 | 0 | 0.8542 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MoS2 | ICSD | 38401 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8476 | 1.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnI2 | COD | 9009122 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4754 | 1.561 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AlGaN2 | ICSD | 187055 | P-4m2 (115) | ✗ | 4 | 26 | 3 | 2.845 | 2.845 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiF2 | ICSD | 65410 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 0.0 | 0.000 | 0.347 | (0;000) | ✗ | 27/01/17 |
| NaNO2 | ICSD | 31824 | Imm2 (44) | ✗ | 4 | 26 | 1 | 1.8658 | 2.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnAu | ICSD | 109348 | Pm-3m (221) | ✔ | 2 | 26 | 3 | 0.0 | 0.000 | 0.798 | (1;111) | ✗ | 05/01/17 |
| ZrAu2 | ICSD | 612510 | I4/mmm (139) | ✔ | 3 | 26 | 3 | 0.0 | 0.003 | 0.186 | (1;000) | ✗ | 05/01/17 |
| ZrAg2 | ICSD | 605995 | I4/mmm (139) | ✔ | 3 | 26 | 3 | 0.0 | 0.036 | 0.072 | (1;000) | ✗ | 05/01/17 |
| NaNO2 | ICSD | 280361 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.4411 | 2.622 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNO2 | ICSD | 4243 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.6518 | 2.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl | COD | 9008518 | P6_3/mmc (194) | ✔ | 2 | 26 | 3 | 0.0 | 0.000 | 0.516 | (0;000) | ✗ | 27/01/17 |
| ZnBr2 | COD | 9011540 | R-3m (166) | ✔ | 3 | 26 | 2 | 2.4418 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd(HO)2 | ICSD | 165224 | P-3m1 (164) | ✔ | 5 | 26 | 2 | 2.0673 | 2.296 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdGeP2 | ICSD | 52804 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 0.0 | 0.019 | 0.517 | (1;000) | ✗ | 27/01/17 |
| TiBr2 | ICSD | 26078 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.005 | 0.539 | (0;000) | ✗ | 27/01/17 |
| NaNO2 | ICSD | 43485 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5378 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |