| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SbIrS | ICSD | 41400 | P2_13 (198) | ✗ | 12 | 80 | 3 | 1.5396 | 1.688 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbIrS | ICSD | 74630 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9438 | 1.385 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnSe2 | COD | 1010097 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.381 | (0;111) | ✗ | 02/02/17 |
| MnTe2 | COD | 9014758 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.754 | (0;111) | ✗ | 02/02/17 |
| PAuS4 | COD | 1510268 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.0351 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScTl(MoO4)2 | ICSD | 250340 | P-3m1 (164) | ✔ | 12 | 100 | 2 | 3.6796 | 3.711 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrF2 | ICSD | 262349 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.001 | 0.071 | (1;000) | ✗ | 27/01/17 |
| Y2Au | COD | 2018284 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.002 | 0.595 | (0;011) | ✗ | 02/02/17 |
| SiP2 | ICSD | 30693 | Pa3 (205) | ✔ | 12 | 56 | 3 | 0.0 | 0.924 | 0.248 | (0;000) | ✗ | 27/01/17 |
| Nb4CoSi | ICSD | 43233 | P4/mcc (124) | ✔ | 12 | 146 | 3 | 0.0 | 0.000 | 0.851 | (0;000) | ✗ | 27/01/17 |
| Sb2Au | COD | 9016730 | Pa3 (205) | ✔ | 12 | 84 | 3 | 0.0 | 0.000 | 0.781 | (1;111) | ✗ | 02/02/17 |
| MnBr2 | ICSD | 67517 | Fd-3m (227) | ✔ | 12 | 116 | 3 | 0.0 | 0.002 | 0.320 | (0;000) | ✗ | 02/02/17 |
| ZrP2 | ICSD | 24352 | Pnma (62) | ✔ | 12 | 56 | 3 | 0.0 | 0.014 | 0.085 | (1;000) | ✗ | 27/01/17 |
| Na5ReO6 | ICSD | 38382 | C2/m (12) | ✔ | 12 | 96 | 1 | 2.3756 | 2.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaCu2O3 | COD | 2002243 | Pmmn (59) | ✔ | 12 | 100 | 3 | 0.0 | 0.009 | 0.954 | (0;000) | ✗ | 27/01/17 |
| GaPd2 | COD | 1522865 | Pnma (62) | ✔ | 12 | 196 | 3 | 0.0 | 0.001 | 0.484 | (0;011) | ✗ | 27/01/17 |
| NbCo2 | ICSD | 624273 | P6_3/mmc (194) | ✔ | 12 | 188 | 3 | 0.0 | 0.006 | 0.614 | (0;000) | ✗ | 27/01/17 |
| RbNaTiO3 | ICSD | 78753 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7013 | 3.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCuF4 | ICSD | 9928 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.620 | (0;000) | ✗ | 27/01/17 |
| BiSe | ICSD | 617073 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0 | 0.114 | 0.007 | (0;001) | ✗ | 02/02/17 |
| CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Nb4CoP | ICSD | 9967 | P4/mcc (124) | ✔ | 12 | 148 | 3 | 0.0 | 0.002 | 0.357 | (0;110) | ✗ | 27/01/17 |
| CaPdF4 | ICSD | 32674 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.0496 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaZnF4 | COD | 1529060 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 5.3128 | 5.313 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiSi2N3 | ICSD | 89524 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 5.1783 | 5.661 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ag2CO3 | COD | 1007035 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 0.6496 | 1.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ReS2 | ICSD | 650077 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.8083 | 0.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaGa3Ni2 | ICSD | 58898 | Cmcm (63) | ✔ | 12 | 138 | 3 | 0.0 | 0.000 | 0.886 | (0;110) | ✗ | 27/01/17 |
| NaO2 | ICSD | 26582 | Pa3 (205) | ✔ | 12 | 84 | 1 | 0.0 | 0.000 | 0.289 | (0;111) | ✗ | 27/01/17 |
| ReSe2 | ICSD | 66658 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.6829 | 0.814 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CoMoP | ICSD | 2421 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.008 | 0.168 | (0;000) | ✗ | 27/01/17 |
| ReTe2 | ICSD | 650162 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.0 | 0.026 | 0.311 | (0;000) | ✗ | 02/02/17 |
| NaReO4 | ICSD | 52337 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.8048 | 3.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgP2 | ICSD | 35283 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.6204 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ge2Mo | COD | 1528384 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.026 | 0.156 | (1;000) | ✗ | 27/01/17 |
| NiGe2 | ICSD | 90341 | Cmce (64) | ✔ | 12 | 72 | 3 | 0.0 | 0.017 | 0.540 | (0;110) | ✗ | 27/01/17 |
| ZrSiMo | ICSD | 644448 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.011 | 0.382 | (0;000) | ✗ | 02/02/17 |
| Te2Mo | COD | 2310356 | P2_1/m (11) | ✔ | 12 | 104 | 2 | 0.0 | 0.034 | 0.170 | (0;000) | ✗ | 02/02/17 |
| SbI3Cl8 | ICSD | 26402 | P-1 (2) | ✔ | 12 | 82 | 3 | 1.2444 | 1.285 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb4NiP | ICSD | 645089 | P4/mcc (124) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.664 | (1;000) | ✗ | 27/01/17 |
| NaSO4 | COD | 2208366 | P-1 (2) | ✔ | 12 | 78 | 1 | 3.9204 | 3.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaH2 | COD | 4103660 | Pnma (62) | ✔ | 12 | 48 | 1 | 3.0674 | 3.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mo2C | ICSD | 246146 | Pbcn (60) | ✔ | 12 | 128 | 3 | 0.0 | 0.031 | 0.368 | (1;000) | ✗ | 27/01/17 |
| CoSeO4 | ICSD | 109072 | Cmcm (63) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.568 | (0;000) | ✗ | 27/01/17 |
| K3Mn2Cl7 | ICSD | 36127 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.004 | 0.851 | (0;000) | ✗ | 02/02/17 |
| NaV(SO4)2 | ICSD | 71760 | C2/m (12) | ✔ | 12 | 82 | 2 | 0.0 | 0.024 | 0.674 | (0;000) | ✗ | 27/01/17 |
| NbCoSi | ICSD | 624322 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.018 | 0.134 | (1;000) | ✗ | 27/01/17 |