| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Zr3Al3C5 | ICSD | 159412 | P6_3/mmc (194) | ✔ | 22 | 82 | 3 | 0.0 | 0.000 | 0.988 | (1;000) | ✗ | 04/08/17 |
| Zr3Al3C5 | ICSD | 606293 | P6_3/mmc (194) | ✔ | 22 | 82 | 3 | 0.0 | 0.000 | 0.994 | (1;000) | ✗ | 04/08/17 |
| Fe(CO)5 | COD | 2310564 | C2/c (15) | ✔ | 22 | 116 | 2 | 3.6826 | 3.720 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2Cu2TeO6 | COD | 4309206 | C2/m (12) | ✔ | 11 | 82 | 2 | 0.0768 | 0.144 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H5C5N2 | COD | 2203306 | P-1 (2) | ✔ | 24 | 70 | 1 | 2.377 | 2.436 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H3(C3F)2 | COD | 4102744 | P-1 (2) | ✔ | 22 | 82 | 2 | 2.9015 | 2.911 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li(C3N2)2 | COD | 4121261 | P2/c (13) | ✔ | 22 | 94 | 1 | 0.0 | 0.000 | 0.530 | (0;100) | ✗ | 04/08/17 |
| MgCu2O3 | COD | 2002199 | Pmmn (59) | ✔ | 12 | 100 | 3 | 0.0 | 0.005 | 0.977 | (0;000) | ✗ | 27/01/17 |
| SrCd2 | ICSD | 420579 | Imcm (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.020 | 0.472 | (0;111) | ✗ | 06/10/16 |
| Ca2Fe9O13 | COD | 1524840 | C2/m (12) | ✔ | 24 | 170 | 3 | 0.0 | 0.006 | 0.586 | (1;111) | ✗ | 04/08/17 |
| LiCa2Ge3 | ICSD | 25323 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.030 | 0.934 | (1;000) | ✗ | 04/08/17 |
| LiCa2Si3 | ICSD | 25322 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.002 | 0.919 | (0;000) | ✗ | 04/08/17 |
| Ca2PN3 | ICSD | 72532 | Cmce (64) | ✔ | 24 | 160 | 1 | 2.5689 | 2.623 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca2VN3 | ICSD | 409644 | C2/c (15) | ✔ | 24 | 192 | 1 | 1.6877 | 1.751 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca3Mn2O7 | COD | 1531133 | Cmcm (63) | ✔ | 24 | 204 | 3 | 0.0 | 0.003 | 0.614 | (0;000) | ✗ | 04/08/17 |
| LiAsF6 | ICSD | 74831 | R-3 (148) | ✔ | 8 | 50 | 1 | 5.5912 | 5.598 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaAsF6 | ICSD | 184565 | Fm-3m (225) | ✔ | 8 | 56 | 1 | 6.3822 | 6.382 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca5Ir | ICSD | 156887 | Pnma (62) | ✔ | 24 | 268 | 1 | 0.0 | 0.000 | 0.625 | (1;110) | ✗ | 04/08/17 |
| Ca6FeN5 | ICSD | 33796 | P6_3/mcm (193) | ✔ | 24 | 186 | 1 | 0.0 | 0.000 | 0.852 | (0;000) | ✗ | 04/08/17 |
| Ca6GaN5 | ICSD | 33795 | P6_3/mcm (193) | ✔ | 24 | 196 | 1 | 0.6712 | 0.779 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca6MnN5 | ICSD | 80184 | P6_3/mcm (193) | ✔ | 24 | 200 | 1 | 0.0 | 0.000 | 0.605 | (1;000) | ✗ | 04/08/17 |
| Li2Si | ICSD | 24146 | C2/m (12) | ✔ | 6 | 20 | 1 | 0.0 | 0.011 | 0.500 | (1;001) | ✔ | 27/01/17 |
| Ca7Ni4Sn13 | COD | 1528162 | P4/m (83) | ✔ | 24 | 292 | 3 | 0.0 | 0.003 | 0.911 | (1;110) | ✗ | 04/08/17 |
| CaCd2Cu9 | ICSD | 424134 | P4/mbm (127) | ✔ | 24 | 266 | 3 | 0.0 | 0.000 | 0.906 | (0;111) | ✗ | 04/08/17 |
| AsN(OF3)2 | ICSD | 68906 | C2/m (12) | ✔ | 10 | 64 | 2 | 0.0 | 0.004 | 0.358 | (0;001) | ✗ | 05/01/17 |
| CaMnF5 | COD | 1518174 | C2/c (15) | ✔ | 14 | 120 | 1 | 0.0 | 0.002 | 0.361 | (0;000) | ✗ | 04/08/17 |
| CaGa4O7 | COD | 2002230 | C2/c (15) | ✔ | 24 | 208 | 3 | 3.0163 | 3.016 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AsS2NF6 | ICSD | 62120 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5737 | 2.574 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MnCu2Sb | ICSD | 53312 | Fm-3m (225) | ✔ | 4 | 42 | 3 | 0.0 | 0.025 | 0.543 | (0;000) | ✗ | 27/01/17 |
| Zr3Cd2 | ICSD | 102092 | Pmmm (47) | ✔ | 5 | 60 | 2 | 0.0 | 0.001 | 0.667 | (1;001) | ✗ | 06/10/16 |
| CaMg2 | COD | 4313241 | P6_3/mmc (194) | ✔ | 24 | 240 | 1 | 0.0 | 0.001 | 0.755 | (1;000) | ✗ | 04/08/17 |
| CaSO4 | COD | 9003568 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 6.4075 | 6.633 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaSO4 | COD | 9003569 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.7502 | 6.838 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaTeO4 | ICSD | 8097 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2643 | 2.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaV2O6 | ICSD | 21064 | C2/m (12) | ✔ | 9 | 72 | 1 | 2.8183 | 2.818 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaTe3O8 | COD | 9000671 | C2/c (15) | ✔ | 24 | 152 | 3 | 2.4307 | 2.514 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaCN2 | ICSD | 75041 | R-3c (167) | ✔ | 24 | 144 | 1 | 0.723 | 0.994 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Si3CCl8 | ICSD | 73125 | P-1 (2) | ✔ | 24 | 144 | 3 | 4.5556 | 4.605 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2CO3 | COD | 1527331 | P2_1/c (14) | ✔ | 24 | 160 | 3 | 3.4916 | 3.511 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Tl3Cd2I7 | ICSD | 63340 | Pbam (55) | ✔ | 24 | 224 | 3 | 1.5368 | 1.678 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd2P2O7 | COD | 2208748 | P-1 (2) | ✔ | 22 | 152 | 3 | 2.9988 | 3.347 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd4OF6 | COD | 4030609 | P4_2/nmc (137) | ✔ | 22 | 192 | 3 | 1.9948 | 2.002 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrCdO4 | COD | 1008085 | C2/m (12) | ✔ | 24 | 200 | 3 | 1.9739 | 2.046 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdCu2 | ICSD | 150582 | P6_3/mmc (194) | ✔ | 24 | 272 | 3 | 0.0 | 0.002 | 0.824 | (0;000) | ✗ | 04/08/17 |
| RbAsF6 | ICSD | 408069 | R-3 (148) | ✔ | 8 | 56 | 1 | 6.0558 | 6.056 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CdI2 | COD | 8103505 | P-3m1 (164) | ✔ | 24 | 208 | 1 | 1.8942 | 2.124 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlAsF6 | ICSD | 417954 | R-3 (148) | ✔ | 8 | 60 | 1 | 5.1421 | 5.237 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgCu2 | COD | 1524810 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.731 | (0;000) | ✗ | 27/01/17 |
| Fe2As | COD | 1011298 | P4/nmm (129) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.749 | (1;001) | ✗ | 05/01/17 |
| LiFeAs | COD | 4501852 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.007 | 0.546 | (1;001) | ✗ | 05/01/17 |