| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| KCuF3 | ICSD | 9856 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.009 | 0.248 | (0;000) | ✗ | 27/01/17 |
| YIn3 | ICSD | 59569 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.007 | 0.390 | (0;111) | ✗ | 27/01/17 |
| CrF2 | ICSD | 31827 | P2_1/c (14) | ✔ | 6 | 56 | 3 | 0.0 | 0.025 | 0.421 | (0;000) | ✔ | 06/10/16 |
| In2Pt | COD | 9009034 | Fm-3m (225) | ✔ | 3 | 36 | 3 | 0.0 | 0.022 | 0.831 | (0;000) | ✗ | 27/01/17 |
| GaCuO2 | COD | 1531589 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.837 | 1.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3(ZnSn2)2 | COD | 4334091 | P6_3/mmc (194) | ✔ | 18 | 178 | 3 | 0.0 | 0.000 | 0.930 | (0;000) | ✗ | 29/03/17 |
| P2W | ICSD | 37224 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.081 | 0.199 | (0;000) | ✔ | 06/10/16 |
| Li4TeO5 | COD | 1530934 | P-1 (2) | ✔ | 20 | 96 | 3 | 0.0 | 0.023 | 0.455 | (0;000) | ✗ | 29/03/17 |
| In2HgSe4 | ICSD | 25649 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.5886 | 0.589 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4SiPt3 | ICSD | 186537 | R32 (155) | ✗ | 16 | 92 | 3 | 0.0 | 0.008 | 0.538 | ? | ✗ | 29/03/17 |
| LiMnO2 | COD | 1513963 | I4_1/amd (141) | ✔ | 16 | 120 | 3 | 0.0 | 0.001 | 0.726 | (1;111) | ✗ | 29/03/17 |
| NbPt | ICSD | 645211 | Pmma (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.803 | (0;101) | ✗ | 27/01/17 |
| NaCuSO4F | ICSD | 262273 | C2/c (15) | ✔ | 16 | 114 | 3 | 0.0 | 0.000 | 0.143 | (1;101) | ✗ | 27/01/17 |
| AlRh | ICSD | 609214 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.047 | 0.337 | (0;000) | ✗ | 05/01/17 |
| LiTiO2 | ICSD | 48128 | Fd-3m (227) | ✔ | 16 | 108 | 3 | 0.0 | 0.008 | 0.631 | (1;111) | ✗ | 29/03/17 |
| LiVO3 | ICSD | 23477 | Cc (9) | ✗ | 20 | 136 | 3 | 0.8008 | 0.885 | 0.000 | (0;000) | ✗ | 29/03/17 |
| AgI | ICSD | 161579 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1056 | 1.107 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTi2O4 | ICSD | 180011 | C2/m (12) | ✔ | 14 | 102 | 3 | 0.0 | 0.003 | 0.478 | (1;001) | ✗ | 29/03/17 |
| LiSn | ICSD | 107516 | I4_1/amd (141) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.856 | (1;111) | ✗ | 29/03/17 |
| Mg2Ni | COD | 1008171 | P6_222 (180) | ✗ | 18 | 180 | 3 | 0.0 | 0.000 | 0.686 | ? | ✗ | 29/03/17 |
| Mg3Ru2 | COD | 1523080 | P4_132 (213) | ✗ | 20 | 248 | 3 | 0.0 | 0.000 | 0.508 | ? | ✗ | 29/03/17 |
| MgMn2O4 | COD | 1528844 | I4_1/amd (141) | ✔ | 14 | 128 | 3 | 0.0 | 0.002 | 0.310 | (1;111) | ✗ | 29/03/17 |
| SrIn2Pd | ICSD | 410402 | Cmcm (63) | ✔ | 8 | 108 | 3 | 0.0 | 0.001 | 0.509 | (1;000) | ✗ | 27/01/17 |
| Na2MgSiO4 | ICSD | 15619 | Pc (7) | ✗ | 16 | 112 | 3 | 3.9447 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
| NbPt3 | ICSD | 645212 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.825 | (0;000) | ✗ | 27/01/17 |
| MgPd3 | ICSD | 150228 | I4/mmm (139) | ✔ | 8 | 128 | 3 | 0.0 | 0.006 | 0.682 | (1;000) | ✗ | 29/03/17 |
| MgPt | ICSD | 109237 | P2_13 (198) | ✗ | 8 | 80 | 3 | 0.0 | 0.032 | 0.308 | (1;000) | ✔ | 29/03/17 |
| In2HgTe4 | ICSD | 25652 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.3925 | 0.393 | 0.000 | (0;000) | ✔ | 06/10/16 |
| ScMn2 | ICSD | 643548 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.000 | 0.708 | (1;000) | ✗ | 29/03/17 |
| ScMn2 | ICSD | 643551 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.001 | 0.747 | (1;000) | ✗ | 29/03/17 |
| TiMn2 | COD | 1523418 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.003 | 0.823 | (0;000) | ✗ | 29/03/17 |
| NaMn3V4O12 | ICSD | 237751 | Im3 (204) | ✔ | 20 | 178 | 3 | 0.0 | 0.005 | 0.116 | (1;111) | ✗ | 29/03/17 |
| Mn3P | ICSD | 643224 | I-4 (82) | ✗ | 16 | 200 | 3 | 33.5527 | 0.002 | 1.000 | (0;000) | ✗ | 29/03/17 |
| Re3B | COD | 1511311 | Cmcm (63) | ✔ | 8 | 96 | 3 | 0.0 | 0.008 | 0.656 | (1;000) | ✗ | 27/01/17 |
| Mn3Sn2 | ICSD | 169060 | Pnma (62) | ✔ | 20 | 292 | 3 | 0.0 | 0.000 | 0.722 | (0;101) | ✗ | 29/03/17 |
| Mn3Zn2 | ICSD | 643934 | P4_132 (213) | ✗ | 20 | 276 | 3 | 0.0 | 0.000 | 0.580 | ? | ✗ | 29/03/17 |
| Mn6Si7 | ICSD | 643625 | R-3m (166) | ✔ | 13 | 118 | 3 | 0.0 | 0.000 | 0.548 | (1;000) | ✗ | 29/03/17 |
| NaMn7O12 | COD | 1530350 | Im3 (204) | ✔ | 20 | 186 | 3 | 11.0368 | 0.000 | 1.000 | (0;000) | ✗ | 29/03/17 |
| In2Pd8Se | ICSD | 290932 | P4/mmm (123) | ✔ | 11 | 176 | 3 | 0.0 | 0.005 | 0.482 | (1;111) | ✗ | 27/01/17 |
| In2HgTe4 | ICSD | 639056 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.4199 | 0.420 | 0.000 | (0;000) | ✔ | 06/10/16 |
| MnNb3O6 | COD | 1519036 | Immm (71) | ✔ | 20 | 180 | 3 | 0.0 | 0.007 | 0.314 | (0;000) | ✗ | 29/03/17 |
| YMnO3 | COD | 2300162 | P6_3/mmc (194) | ✔ | 10 | 88 | 3 | 0.0 | 0.012 | 0.517 | (0;000) | ✗ | 29/03/17 |
| Mn | COD | 9011197 | P4_132 (213) | ✗ | 20 | 300 | 3 | 0.0 | 0.000 | 0.731 | ? | ✗ | 29/03/17 |
| MnPd2 | ICSD | 247774 | Pnma (62) | ✔ | 12 | 204 | 3 | 0.0 | 0.000 | 0.706 | (1;011) | ✗ | 29/03/17 |
| MnPd3 | COD | 1523902 | I4/mmm (139) | ✔ | 8 | 138 | 3 | 0.0 | 0.001 | 0.841 | (0;111) | ✗ | 29/03/17 |
| MnSiRh | ICSD | 643419 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.004 | 0.316 | (0;000) | ✗ | 29/03/17 |
| Ta3MnS6 | ICSD | 643472 | P6_322 (182) | ✗ | 20 | 180 | 3 | 0.0 | 0.007 | 0.469 | ? | ✗ | 29/03/17 |
| MnTl(VS2)4 | ICSD | 643478 | C2/m (12) | ✔ | 14 | 128 | 3 | 0.0 | 0.010 | 0.553 | (0;111) | ✗ | 29/03/17 |
| TaMnSi | ICSD | 643652 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.007 | 0.448 | ? | ✗ | 29/03/17 |
| ZrCuGe | ICSD | 627886 | Pnma (62) | ✔ | 12 | 76 | 3 | 0.0 | 0.001 | 0.475 | (1;011) | ✗ | 27/01/17 |
| SrIn2Rh | ICSD | 410403 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.796 | (0;000) | ✗ | 27/01/17 |
| Sn2Mo | ICSD | 77114 | P6_222 (180) | ✗ | 18 | 252 | 3 | 0.0 | 0.000 | 0.472 | ? | ✗ | 29/03/17 |
| NbCuO3F | ICSD | 200533 | P-1 (2) | ✔ | 12 | 98 | 3 | 0.0 | 0.009 | 0.456 | (1;011) | ✗ | 27/01/17 |
| NbRh | ICSD | 105212 | Pmmb (51) | ✔ | 4 | 60 | 3 | 0.0 | 0.004 | 0.545 | (0;001) | ✗ | 06/10/16 |
| BRh2 | COD | 2310098 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.753 | (1;011) | ✗ | 27/01/17 |
| Na2ZnSiO4 | COD | 1009030 | Pc (7) | ✗ | 16 | 116 | 3 | 3.1876 | 3.392 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZrBRh3 | ICSD | 615353 | Pm-3m (221) | ✔ | 5 | 58 | 3 | 0.0 | 0.000 | 0.110 | (0;111) | ✗ | 27/01/17 |
| CdSe | ICSD | 180931 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3656 | 0.366 | 0.000 | (0;000) | ✔ | 06/10/16 |
| TiHgO3 | ICSD | 19005 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4258 | 1.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
| P4Ru | ICSD | 648018 | P2_1/c (14) | ✔ | 10 | 72 | 3 | 0.7523 | 0.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrIn2Pt | ICSD | 410400 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.007 | 0.632 | (1;000) | ✗ | 27/01/17 |
| HfGaCu | ICSD | 627409 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.002 | 0.401 | (0;000) | ✗ | 27/01/17 |
| HgSO4 | ICSD | 100316 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.6049 | 2.007 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbTe4 | ICSD | 645526 | P4/mcc (124) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.577 | (1;110) | ✗ | 06/10/16 |
| GaCuO2 | ICSD | 60846 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.9088 | 1.630 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbO3 | COD | 1528864 | Pmc2_1 (26) | ✗ | 20 | 160 | 3 | 2.3551 | 2.359 | 0.000 | (0;000) | ✗ | 29/03/17 |
| HgBr | COD | 9014145 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.8884 | 2.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgSO4 | ICSD | 25773 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.51 | 2.097 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ScIn3 | ICSD | 59524 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.030 | 0.389 | (0;111) | ✗ | 27/01/17 |
| TiCuGe | ICSD | 53283 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.454 | (1;011) | ✗ | 27/01/17 |
| HfCuGe | ICSD | 290194 | I4/mmm (139) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.623 | (1;000) | ✗ | 27/01/17 |
| CdSe | ICSD | 415786 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5591 | 0.559 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaSn5 | ICSD | 408045 | P-42_1m (113) | ✗ | 12 | 158 | 3 | 0.0 | 0.000 | 0.851 | ? | ✗ | 29/03/17 |
| Nb3NiS6 | COD | 9011967 | P6_322 (182) | ✗ | 20 | 170 | 3 | 0.0 | 0.000 | 0.815 | ? | ✗ | 29/03/17 |
| Nb3NiSe6 | ICSD | 645098 | P6_322 (182) | ✗ | 20 | 170 | 3 | 0.0 | 0.000 | 0.856 | ? | ✗ | 29/03/17 |
| Nb3SnS6 | ICSD | 74695 | P6_322 (182) | ✗ | 20 | 178 | 3 | 0.0 | 0.000 | 0.972 | ? | ✗ | 29/03/17 |
| Nb3SnS6 | ICSD | 83038 | P6_322 (182) | ✗ | 20 | 178 | 3 | 0.0 | 0.000 | 0.986 | ? | ✗ | 29/03/17 |
| Ti(NbS2)3 | ICSD | 645331 | P6_322 (182) | ✗ | 20 | 174 | 3 | 0.0 | 0.001 | 0.647 | ? | ✗ | 29/03/17 |
| Nb3Sb2Te5 | ICSD | 417101 | I-43m (217) | ✗ | 20 | 158 | 3 | 0.7725 | 0.972 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Ti(NbSe2)3 | ICSD | 645394 | P6_322 (182) | ✗ | 20 | 174 | 3 | 0.0 | 0.001 | 0.699 | ? | ✗ | 29/03/17 |
| Nb3VSe6 | ICSD | 645400 | P6_322 (182) | ✗ | 20 | 176 | 3 | 0.0 | 0.001 | 0.427 | ? | ✗ | 29/03/17 |
| Nb3Si | ICSD | 645416 | I-4 (82) | ✗ | 16 | 172 | 3 | 0.0 | 0.016 | 0.487 | ? | ✗ | 29/03/17 |
| NbReSi | ICSD | 600059 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.002 | 0.533 | ? | ✗ | 29/03/17 |
| NbRh | ICSD | 645264 | Pmma (51) | ✔ | 12 | 180 | 3 | 0.0 | 0.008 | 0.849 | (1;100) | ✗ | 29/03/17 |
| NbSiRu | ICSD | 600057 | Ima2 (46) | ✗ | 18 | 198 | 3 | 0.0 | 0.002 | 0.832 | ? | ✗ | 29/03/17 |
| HgSO4 | ICSD | 28402 | Pc (7) | ✗ | 12 | 84 | 3 | 0.9664 | 1.331 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NiS2 | ICSD | 169570 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.0 | 0.038 | 0.596 | (1;000) | ✗ | 06/10/16 |
| Fe2B | ICSD | 16809 | I-42m (121) | ✗ | 6 | 38 | 3 | 0.0 | 0.009 | 0.613 | (0;000) | ✔ | 06/10/16 |
| NbSe4 | ICSD | 645375 | P4cc (103) | ✗ | 10 | 74 | 3 | 0.0 | 0.000 | 0.629 | ? | ✗ | 29/03/17 |
| Zr9Ni11 | COD | 1523714 | I4/m (87) | ✔ | 20 | 146 | 3 | 0.0 | 0.002 | 0.507 | (0;111) | ✗ | 29/03/17 |
| ScSi3Ni2 | ICSD | 41771 | I4/mmm (139) | ✔ | 12 | 86 | 3 | 0.0 | 0.009 | 0.936 | (1;000) | ✗ | 29/03/17 |
| ZrNi4Sn | COD | 1523277 | F-43m (216) | ✗ | 6 | 58 | 3 | 0.0 | 0.009 | 0.298 | (0;000) | ✔ | 29/03/17 |
| Y2Ni7 | ICSD | 647051 | R-3m (166) | ✔ | 18 | 184 | 3 | 13.5275 | 0.007 | 1.000 | (0;000) | ✗ | 29/03/17 |
| Zr2Ni7 | ICSD | 647170 | C2/m (12) | ✔ | 9 | 78 | 3 | 0.0 | 0.018 | 0.476 | (0;000) | ✗ | 29/03/17 |
| V2Ni(TeO5)2 | COD | 2017057 | P-1 (2) | ✔ | 15 | 108 | 3 | 0.0 | 0.025 | 0.623 | (0;000) | ✗ | 29/03/17 |
| TePbO3 | ICSD | 61343 | P4_1 (76) | ✗ | 20 | 152 | 3 | 2.5754 | 2.799 | 0.000 | (0;000) | ✗ | 29/03/17 |
| NiP3 | COD | 1526484 | Im3 (204) | ✔ | 16 | 100 | 3 | 0.0 | 0.000 | 0.714 | (1;111) | ✗ | 29/03/17 |
| SrNiSn3 | COD | 1523462 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.020 | 0.358 | (1;000) | ✔ | 29/03/17 |
| TiNi | ICSD | 150627 | P-1 (2) | ✔ | 12 | 132 | 3 | 0.0 | 0.012 | 0.909 | (1;001) | ✗ | 29/03/17 |
| TiNi | COD | 9014315 | P-3 (147) | ✔ | 18 | 198 | 3 | 0.0 | 0.002 | 0.890 | (1;001) | ✗ | 29/03/17 |