| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cu3Ge | ICSD | 627678 | Pmmn (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.936 | (1;010) | ✗ | 27/01/17 |
| NiPbO3 | ICSD | 187685 | R3c (161) | ✗ | 10 | 84 | 3 | 0.0 | 0.000 | 0.368 | ? | ✗ | 06/10/16 |
| TiS | ICSD | 52193 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.159 | (1;100) | ✔ | 04/10/16 |
| Nb3B2 | ICSD | 614907 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.784 | (1;111) | ✗ | 05/01/17 |
| TaF3 | ICSD | 30613 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.776 | (0;000) | ✗ | 27/01/17 |
| ZrBr3 | ICSD | 23945 | P6_3/mcm (193) | ✔ | 8 | 50 | 1 | 0.0 | 0.000 | 0.543 | (0;000) | ✗ | 02/02/17 |
| Li2Ga | ICSD | 100051 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.778 | (1;110) | ✗ | 06/10/16 |
| Ba2NiMoO6 | ICSD | 98192 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.784 | (0;000) | ✗ | 05/01/17 |
| OsN2 | ICSD | 290439 | P-6m2 (187) | ✗ | 3 | 26 | 3 | 0.0 | 0.000 | 0.655 | (0;100) | ✔ | 06/10/16 |
| SrMoO3 | ICSD | 174207 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
| Ti3Au | COD | 1510314 | Pm-3n (223) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.710 | (1;000) | ✗ | 05/01/17 |
| Ni(AsO3)2 | ICSD | 80349 | P-31m (162) | ✔ | 9 | 56 | 3 | 0.0 | 0.000 | 0.634 | (0;000) | ✗ | 05/01/17 |
| ReB2 | COD | 2310090 | P6_3/mmc (194) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.613 | (1;000) | ✗ | 05/01/17 |
| N2 | ICSD | 644518 | P6_3/mmc (194) | ✔ | 2 | 10 | 1 | 0.0 | 0.000 | 0.808 | (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 |
| BaMnAsF | ICSD | 248365 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.857 | (0;000) | ✗ | 05/01/17 |
| Li5(NiN)3 | ICSD | 411152 | P-62m (189) | ✗ | 11 | 60 | 1 | 0.0 | 0.000 | 0.970 | ? | ✗ | 06/10/16 |
| CrCo3 | ICSD | 622450 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.813 | (1;000) | ✗ | 27/01/17 |
| CuGeO3 | COD | 1528527 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.683 | (1;010) | ✗ | 27/01/17 |
| ScInPd2 | ICSD | 59481 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.000 | 0.685 | (0;000) | ✗ | 27/01/17 |
| Ta3Be2 | ICSD | 616431 | P4/mbm (127) | ✔ | 10 | 94 | 3 | 0.0 | 0.000 | 0.935 | (0;001) | ✗ | 05/01/17 |
| NiSbS | ICSD | 53936 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 1.000 | ? | ✗ | 06/10/16 |
| BaCa(FeO2)4 | COD | 1008057 | P-31m (162) | ✔ | 14 | 100 | 2 | 0.0 | 0.000 | 0.787 | (0;001) | ✗ | 05/01/17 |
| Ag2O3 | COD | 7109247 | Pn-3m (224) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.779 | (0;000) | ✗ | 05/01/17 |
| Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
| YSnRh | ICSD | 650406 | P-62m (189) | ✗ | 9 | 126 | 3 | 0.0 | 0.000 | 0.903 | ? | ✗ | 06/10/16 |
| NbSe2 | ICSD | 16304 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.896 | (0;100) | ✔ | 06/10/16 |
| MnGeRh | ICSD | 637069 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.601 | ? | ✗ | 06/10/16 |
| NiSb | COD | 9008903 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.746 | (1;000) | ✗ | 27/01/17 |
| ScMnGe | ICSD | 600156 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.648 | ? | ✗ | 06/10/16 |
| KC8 | ICSD | 70020 | Fddd (70) | ✔ | 18 | 82 | 2 | 0.0 | 0.000 | 0.815 | (1;111) | ✗ | 02/02/17 |
| Co | ICSD | 27504 | Fd-3m (227) | ✔ | 6 | 102 | 3 | 0.0 | 0.000 | 0.681 | (0;000) | ✗ | 27/01/17 |
| TiB | COD | 9008946 | Pnma (62) | ✔ | 8 | 60 | 3 | 0.0 | 0.000 | 0.817 | (0;011) | ✗ | 27/01/17 |
| HfFeGe | ICSD | 632036 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.800 | ? | ✗ | 06/10/16 |
| TlAs | ICSD | 184574 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.142 | (1;000) | ✔ | 04/10/16 |
| YBiPd2 | ICSD | 58842 | Fm-3m (225) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.234 | (1;000) | ✗ | 05/01/17 |
| CoH2(CN2)2 | ICSD | 236414 | Pnnm (58) | ✔ | 18 | 94 | 3 | 0.0 | 0.000 | 0.782 | (0;000) | ✗ | 27/01/17 |
| HfGaCo | ICSD | 623085 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.782 | ? | ✗ | 06/10/16 |
| ZrGaCo | ICSD | 623254 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.000 | 0.725 | ? | ✗ | 06/10/16 |
| NiO | ICSD | 246910 | R-3m (166) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.631 | (0;000) | ✔ | 06/10/16 |
| Mg(Co3P2)2 | ICSD | 94412 | P-6m2 (187) | ✗ | 11 | 84 | 3 | 0.0 | 0.000 | 0.225 | ? | ✗ | 06/10/16 |
| CuAu3 | COD | 1510492 | Pm-3m (221) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.547 | (0;111) | ✗ | 05/01/17 |
| ScGe | ICSD | 42947 | Cmcm (63) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.729 | (0;110) | ✗ | 06/10/16 |
| TlNi | COD | 1523258 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.702 | (1;000) | ✗ | 27/01/17 |
| NaPd3O4 | ICSD | 245608 | Pm-3n (223) | ✔ | 16 | 174 | 3 | 0.0 | 0.000 | 0.909 | (0;000) | ✗ | 27/01/17 |
| Cu3Ge | ICSD | 627687 | P6_3/mmc (194) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.850 | (0;000) | ✗ | 27/01/17 |
| NbFeO4 | COD | 2002235 | P2/c (13) | ✔ | 12 | 90 | 3 | 0.0 | 0.000 | 0.459 | (0;010) | ✗ | 27/01/17 |
| MgCoGe | ICSD | 418853 | P4/nmm (129) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.777 | (0;001) | ✗ | 27/01/17 |
| Ta3Ga2 | ICSD | 635467 | P4/mbm (127) | ✔ | 10 | 130 | 3 | 0.0 | 0.000 | 0.881 | (0;111) | ✗ | 27/01/17 |
| ZrGaRh | ICSD | 635225 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.743 | ? | ✗ | 06/10/16 |
| CuGeO3 | ICSD | 16834 | Pmcm (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.683 | (1;010) | ✗ | 06/10/16 |
| HfCuSn | ICSD | 190121 | P6_3mc (186) | ✗ | 6 | 74 | 3 | 0.0 | 0.000 | 0.548 | (1;001) | ✔ | 05/12/16 |
| Ti3Ge | ICSD | 189707 | Fm-3m (225) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.753 | (1;000) | ✗ | 06/10/16 |
| YAl3 | ICSD | 58216 | Pm-3m (221) | ✔ | 4 | 20 | 3 | 0.0 | 0.000 | 0.430 | (0;111) | ✗ | 05/01/17 |
| YGe | ICSD | 42948 | Cmcm (63) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.739 | (0;110) | ✗ | 06/10/16 |
| Mg3Ge | COD | 1524090 | P-3 (147) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 27/01/17 |
| Ba3Al3Ga2 | ICSD | 415931 | P6_3/mmc (194) | ✔ | 16 | 130 | 2 | 0.0 | 0.000 | 0.590 | (0;000) | ✗ | 30/01/17 |
| NaMnBi | ICSD | 616814 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.871 | (1;000) | ✗ | 05/01/17 |
| NiSe | ICSD | 42596 | R3m (160) | ✗ | 6 | 48 | 3 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 06/10/16 |
| LiAl | ICSD | 262069 | P6_3/mmc (194) | ✔ | 8 | 24 | 1 | 0.0 | 0.000 | 0.353 | (0;000) | ✗ | 05/01/17 |
| FeHO2 | ICSD | 24885 | Cmcm (63) | ✔ | 8 | 42 | 3 | 0.0 | 0.000 | 0.734 | (0;000) | ✗ | 27/01/17 |
| CuF2 | COD | 9009094 | P2_1/c (14) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.422 | (0;000) | ✗ | 27/01/17 |
| ScGe2 | ICSD | 637830 | Cmcm (63) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.822 | (0;000) | ✗ | 06/10/16 |
| TiCuSn | ICSD | 54657 | P6_3mc (186) | ✗ | 6 | 74 | 3 | 0.0 | 0.000 | 0.569 | ? | ✗ | 06/10/16 |
| Zr2GaFe3 | ICSD | 631863 | P6_3/mmc (194) | ✔ | 12 | 90 | 3 | 0.0 | 0.000 | 0.588 | (1;000) | ✗ | 27/01/17 |
| Ca3TlN | ICSD | 411448 | Pm-3m (221) | ✔ | 5 | 48 | 1 | 0.0 | 0.000 | 0.648 | (1;000) | ✗ | 27/01/17 |
| ZnFe3C | ICSD | 76763 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 0.0 | 0.000 | 0.444 | (1;111) | ✗ | 27/01/17 |
| ScCrC2 | ICSD | 80373 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.951 | (1;000) | ✗ | 27/01/17 |
| CoCN2 | COD | 4307548 | P6_3/mmc (194) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.753 | (0;000) | ✗ | 27/01/17 |
| Ca3SbN | COD | 1527234 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 0.0 | 0.000 | 0.154 | (0;000) | ✗ | 27/01/17 |
| YGe3 | ICSD | 88075 | Cmcm (63) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.736 | (0;000) | ✗ | 27/01/17 |
| Y(Ni2P)2 | ICSD | 189495 | P4_2/mnm (136) | ✔ | 14 | 122 | 3 | 0.0 | 0.000 | 0.949 | (1;000) | ✗ | 27/01/17 |
| Ti2H | ICSD | 168323 | Pn-3m (224) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.818 | (1;000) | ✗ | 06/10/16 |
| Nb4FeP | ICSD | 632795 | P4/mcc (124) | ✔ | 12 | 130 | 3 | 0.0 | 0.000 | 0.873 | (0;110) | ✗ | 27/01/17 |
| Y3H2 | ICSD | 152861 | P6_3/mmc (194) | ✔ | 10 | 70 | 3 | 0.0 | 0.000 | 0.932 | (0;000) | ✗ | 06/10/16 |
| Fe3Pd | COD | 1523349 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.957 | (0;000) | ✗ | 27/01/17 |
| LiTiNCl | ICSD | 261526 | Pmmn (59) | ✔ | 8 | 54 | 2 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 27/01/17 |
| Be2Cu | ICSD | 616247 | Fd-3m (227) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 05/01/17 |
| Mg3Au | COD | 1510237 | P6_3/mmc (194) | ✔ | 8 | 82 | 2 | 0.0 | 0.000 | 0.835 | (0;000) | ✗ | 05/01/17 |
| RhPb2 | COD | 1524519 | I4/mcm (140) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.660 | (1;111) | ✗ | 27/01/17 |
| TiH | ICSD | 168325 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.512 | (0;011) | ✗ | 06/10/16 |
| Y(Fe2Si)2 | ICSD | 633644 | P4_2/mnm (136) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.912 | (0;000) | ✗ | 27/01/17 |
| ZrH | ICSD | 169451 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.564 | (0;011) | ✗ | 06/10/16 |
| CdPd3O4 | COD | 1008076 | Pm-3n (223) | ✔ | 16 | 180 | 3 | 0.0 | 0.000 | 0.125 | (1;000) | ✗ | 27/01/17 |
| Cr2B3 | COD | 1510903 | Cmcm (63) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.854 | (0;000) | ✗ | 05/01/17 |
| ScMnSi | ICSD | 86369 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.732 | ? | ✗ | 06/10/16 |
| RbPdF3 | ICSD | 73166 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.589 | (0;000) | ✗ | 27/01/17 |
| Ti3H3Au | ICSD | 611953 | Pm-3n (223) | ✔ | 14 | 100 | 3 | 0.0 | 0.000 | 0.703 | (0;111) | ✗ | 05/01/17 |
| MnAlPd2 | ICSD | 57981 | Fm-3m (225) | ✔ | 4 | 54 | 3 | 0.0 | 0.000 | 0.572 | (0;000) | ✗ | 05/01/17 |
| TaCo3 | COD | 1525075 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.599 | (1;000) | ✗ | 27/01/17 |
| HfB12 | ICSD | 614421 | Fm-3m (225) | ✔ | 13 | 48 | 3 | 0.0 | 0.000 | 0.835 | (0;000) | ✗ | 05/01/17 |
| HgPt3 | ICSD | 639147 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.463 | (1;000) | ✗ | 27/01/17 |
| HfIr | ICSD | 185633 | Pmmb (51) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.688 | (1;100) | ✗ | 06/10/16 |
| LiNiN | ICSD | 411151 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.0 | 0.000 | 0.968 | (1;100) | ✔ | 06/10/16 |
| Cs2KAgF6 | ICSD | 16783 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.534 | (0;000) | ✗ | 05/01/17 |
| TiAlPt | ICSD | 163350 | P6_3/mmc (194) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.904 | (0;000) | ✗ | 05/01/17 |
| VCoB3 | COD | 1510897 | Cmcm (63) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.647 | (0;110) | ✗ | 05/01/17 |
| AgBF5 | COD | 1509211 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.997 | (1;001) | ✗ | 05/01/17 |
| ZrTe | ICSD | 410867 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.093 | (1;100) | ✔ | 04/10/16 |
| Sc5Si3 | ICSD | 23932 | P6_3/mcm (193) | ✔ | 16 | 134 | 3 | 0.0 | 0.000 | 0.677 | (1;000) | ✗ | 02/02/17 |