| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ZrAs | COD | 9008970 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.020 | 0.423 | (0;000) | ✗ | 05/01/17 |
| YTlSe2 | ICSD | 652075 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.1254 | 1.777 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeSb2 | ICSD | 151397 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.1637 | 0.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaCuO2 | ICSD | 60846 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.9088 | 1.630 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeP2 | ICSD | 15027 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.4006 | 0.861 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSiAs2 | ICSD | 237067 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.8099 | 0.810 | 0.000 | (0;000) | ✗ | 07/10/16 |
| TlN | ICSD | 186556 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0197 | 0.024 | 0.000 | (1;000) | ✔ | 06/10/16 |
| ScTlTe2 | ICSD | 418476 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.0 | 0.243 | 0.108 | (0;000) | ✗ | 27/01/17 |
| ZnCdSe2 | ICSD | 188387 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 0.5052 | 0.505 | 0.000 | (0;000) | ✗ | 07/10/16 |
| ZnCdS2 | ICSD | 168375 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 1.4199 | 1.420 | 0.000 | (0;000) | ✗ | 07/10/16 |
| ZnO | ICSD | 290968 | P2_1 (4) | ✗ | 4 | 36 | 0 | 0.7688 | 0.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbAs | ICSD | 16585 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.019 | 0.026 | (0;101) | ✔ | 06/10/16 |
| VSb | ICSD | 23910 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.001 | 0.446 | (1;000) | ✗ | 27/01/17 |
| ScTlSe2 | ICSD | 418475 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.4619 | 1.083 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgTe | ICSD | 56658 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.062 | 0.439 | (0;110) | ✗ | 27/01/17 |
| NbN | ICSD | 185442 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.291 | (1;100) | ✔ | 06/10/16 |
| YAlGe | COD | 9007848 | Cmcm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.021 | 0.319 | (0;110) | ✗ | 05/01/17 |
| ScAlGe | ICSD | 608009 | Cmcm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.009 | 0.328 | (0;110) | ✗ | 05/01/17 |
| Li3AlH6 | COD | 1532615 | R-3 (148) | ✔ | 20 | 36 | 2 | 3.6166 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
| InAs | ICSD | 190427 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0806 | 0.081 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CuNi2Sb | ICSD | 53320 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.004 | 0.916 | (1;000) | ✗ | 27/01/17 |
| Zr(CuP)2 | ICSD | 628683 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.0 | 0.035 | 0.238 | (1;000) | ✗ | 27/01/17 |
| YTlS2 | ICSD | 651267 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.4802 | 2.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs | ICSD | 173930 | Pbcm (57) | ✔ | 4 | 36 | 3 | 0.0 | 0.004 | 0.757 | (1;100) | ✗ | 27/01/17 |
| Cs | ICSD | 109023 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.027 | 0.689 | (1;000) | ✗ | 27/01/17 |
| KCN | ICSD | 173942 | Cc (9) | ✗ | 6 | 36 | 1 | 5.131 | 5.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ScAlCu2 | ICSD | 57709 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.015 | 0.236 | (1;000) | ✗ | 05/01/17 |
| ScAlAu2 | ICSD | 57505 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.059 | 0.379 | (0;000) | ✗ | 05/01/17 |
| SrC2 | COD | 1522127 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdTe | ICSD | 246692 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.131 | 0.244 | (0;000) | ✗ | 27/01/17 |
| Zr2CS | COD | 9008972 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.015 | 0.336 | (0;000) | ✗ | 27/01/17 |
| AlCu3 | ICSD | 150823 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.879 | (0;000) | ✗ | 05/01/17 |
| CaGe2 | ICSD | 185655 | P6_3mc (186) | ✗ | 6 | 36 | 1 | 0.0 | 0.071 | 0.116 | (1;000) | ✔ | 04/10/16 |
| GaAs | ICSD | 190423 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.685 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2PtC2 | COD | 1526414 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.9106 | 0.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb | ICSD | 248068 | Fddd (70) | ✔ | 4 | 36 | 1 | 0.0 | 0.011 | 0.687 | (1;111) | ✗ | 02/02/17 |
| CdHgO2 | COD | 2002689 | C2/m (12) | ✔ | 4 | 36 | 3 | 0.8009 | 0.840 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hg | ICSD | 157861 | C2/m (12) | ✔ | 3 | 36 | 3 | 0.0 | 0.036 | 0.401 | (1;000) | ✗ | 27/01/17 |
| NaMnO2 | COD | 1527918 | C2/m (12) | ✔ | 4 | 36 | 2 | 0.0 | 0.057 | 0.372 | (0;000) | ✗ | 27/01/17 |
| CaC2 | ICSD | 66663 | P-1 (2) | ✔ | 6 | 36 | 1 | 2.4633 | 3.084 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgC2 | ICSD | 88057 | P4_2/mnm (136) | ✔ | 6 | 36 | 2 | 2.874 | 3.338 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaC2 | ICSD | 290834 | Cmcm (63) | ✔ | 6 | 36 | 1 | 0.0 | 0.051 | 0.065 | (0;000) | ✗ | 06/10/16 |
| CdHg2 | ICSD | 58982 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.036 | 0.602 | (1;000) | ✗ | 27/01/17 |
| KLiS | ICSD | 27465 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.3014 | 1.301 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Fe4C | ICSD | 187144 | I4/m (87) | ✔ | 5 | 36 | 3 | 0.0 | 0.008 | 0.732 | (0;111) | ✗ | 06/10/16 |
| Hg | ICSD | 25364 | P6/mmm (191) | ✔ | 3 | 36 | 3 | 0.0 | 0.020 | 0.573 | (0;001) | ✗ | 27/01/17 |
| ZrP | ICSD | 77860 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.011 | 0.588 | (0;000) | ✗ | 27/01/17 |
| K2PtC2 | ICSD | 421491 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.7799 | 0.813 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2PtC2 | COD | 1526418 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.8218 | 0.869 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Be(H3C)2 | COD | 5900008 | Ibam (72) | ✔ | 18 | 36 | 1 | 4.8496 | 4.850 | 0.000 | (0;000) | ✗ | 27/01/17 |