| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PdSeO3 | COD | 4333283 | P2_1/m (11) | ✔ | 10 | 84 | 2 | 1.0869 | 1.368 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2PdO3 | COD | 1531926 | Immm (71) | ✔ | 6 | 56 | 2 | 0.1836 | 0.627 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbPO3 | ICSD | 70035 | Cmcm (63) | ✔ | 10 | 64 | 1 | 4.5945 | 4.595 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2Sn2O3 | ICSD | 24816 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.9604 | 0.960 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(ZnAs)2 | ICSD | 23248 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.2109 | 0.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Rh2O3 | ICSD | 647369 | R-3c (167) | ✔ | 10 | 104 | 3 | 0.7851 | 0.985 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rh2O3 | COD | 1010584 | R-3c (167) | ✔ | 10 | 104 | 3 | 0.0 | 0.034 | 0.291 | (0;000) | ✗ | 27/01/17 |
| BiTeI | ICSD | 263109 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.1819 | 0.182 | 0.000 | (0;000) | ✔ | 06/10/16 |
| SrRuO3 | ICSD | 86940 | I4/mcm (140) | ✔ | 10 | 88 | 3 | 0.0 | 0.011 | 0.547 | (0;000) | ✗ | 27/01/17 |
| SrSeO3 | COD | 2213989 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.848 | 3.849 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrSiO3 | ICSD | 248973 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 4.9596 | 5.574 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrSnO3 | ICSD | 153532 | I4/mcm (140) | ✔ | 10 | 84 | 3 | 1.4616 | 1.462 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrSnO3 | ICSD | 27047 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.766 | 2.562 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnSnO3 | ICSD | 50404 | R-3 (148) | ✔ | 10 | 88 | 3 | 1.5281 | 1.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrTiO3 | COD | 9006864 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.9101 | 2.241 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrZrO3 | ICSD | 89362 | I4/mcm (140) | ✔ | 10 | 64 | 3 | 3.0289 | 3.029 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrZrO3 | COD | 1010901 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 0.0 | 0.007 | 0.627 | (0;000) | ✗ | 27/01/17 |
| SrZrO3 | COD | 1521389 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.9809 | 2.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TeO3 | COD | 7035629 | R-3c (167) | ✔ | 8 | 48 | 3 | 1.4975 | 1.547 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ti2O3 | COD | 1010582 | R-3c (167) | ✔ | 10 | 84 | 3 | 0.0 | 0.017 | 0.140 | (0;000) | ✗ | 27/01/17 |
| As3(HO2)5 | COD | 2310419 | P-1 (2) | ✔ | 18 | 80 | 3 | 3.5509 | 3.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BiTeI | ICSD | 74501 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.0 | 0.003 | 0.261 | (0;000) | ✔ | 06/10/16 |
| K2Se3 | ICSD | 1264 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7025 | 0.851 | 0.000 | (0;000) | ✗ | 06/10/16 |
| WO3 | ICSD | 183408 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.4293 | 1.461 | 0.000 | (0;000) | ✗ | 27/01/17 |
| WO3 | COD | 1004057 | P6/mmm (191) | ✔ | 12 | 96 | 3 | 0.5769 | 1.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| WO3 | ICSD | 67749 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.5514 | 1.584 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2O3 | ICSD | 192864 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 3.7363 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2O3 | ICSD | 181826 | C2/m (12) | ✔ | 15 | 120 | 3 | 4.1158 | 4.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InBiS3 | ICSD | 290195 | P2_1 (4) | ✗ | 10 | 72 | 3 | 0.8716 | 1.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li5BiO5 | ICSD | 203031 | Cm (8) | ✗ | 11 | 50 | 2 | 1.5359 | 1.767 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrPd3O4 | COD | 1008074 | Pm-3n (223) | ✔ | 16 | 176 | 3 | 0.0 | 0.029 | 0.123 | (0;000) | ✗ | 27/01/17 |
| PdSeO4 | ICSD | 416646 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.2734 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PdSO4 | ICSD | 79559 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.1467 | 1.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn2PdO4 | ICSD | 30076 | Fd-3m (227) | ✔ | 14 | 132 | 3 | 0.0 | 0.000 | 0.344 | (0;000) | ✗ | 27/01/17 |
| SbPO4 | ICSD | 62977 | P2_1/m (11) | ✔ | 12 | 68 | 2 | 0.0 | 4.450 | 1.000 | (0;000) | ✗ | 27/01/17 |
| ScPO4 | COD | 2310638 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.4694 | 4.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2AsAu | ICSD | 23254 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.2318 | 0.248 | 0.000 | (0;000) | ✗ | 05/01/17 |
| B6As | ICSD | 107916 | R-3m (166) | ✔ | 14 | 46 | 3 | 2.5791 | 2.612 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TlPO4 | COD | 2310637 | Cmcm (63) | ✔ | 12 | 84 | 3 | 1.5218 | 1.905 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VPO4 | ICSD | 82284 | Cmcm (63) | ✔ | 12 | 84 | 3 | 0.0 | 0.011 | 0.438 | (0;000) | ✗ | 27/01/17 |
| YPO4 | COD | 9001654 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 5.9664 | 6.176 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn(RhO2)2 | ICSD | 109298 | Fd-3m (227) | ✔ | 14 | 140 | 3 | 0.9258 | 0.934 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2RuO4 | COD | 1526905 | I4/mmm (139) | ✔ | 7 | 60 | 2 | 0.0 | 0.080 | 0.926 | (0;000) | ✗ | 27/01/17 |
| ScVO4 | COD | 4501809 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.6191 | 2.619 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrSiO4 | COD | 9002561 | I4_1/amd (141) | ✔ | 12 | 64 | 3 | 4.4361 | 4.633 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2SnO4 | ICSD | 150388 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.8857 | 3.258 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2TiO4 | COD | 1517788 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 2.2547 | 2.423 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YTaO4 | ICSD | 109190 | C2/c (15) | ✔ | 12 | 96 | 3 | 4.321 | 4.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YTaO4 | COD | 1530908 | P2/c (13) | ✔ | 12 | 96 | 3 | 2.4657 | 2.660 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V2ZnO4 | COD | 9012331 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.000 | 0.451 | (0;000) | ✗ | 27/01/17 |
| YVO4 | ICSD | 174550 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 3.5058 | 3.536 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YVO4 | COD | 9009764 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.9575 | 2.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbPO5 | COD | 1530584 | C2/c (15) | ✔ | 14 | 80 | 3 | 3.0941 | 3.094 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaPO5 | ICSD | 87281 | P4/n (85) | ✔ | 14 | 96 | 3 | 4.0586 | 4.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCdAsF | ICSD | 189938 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8914 | 0.891 | 0.000 | (0;000) | ✗ | 05/01/17 |
| VPO5 | ICSD | 108983 | P4/n (85) | ✔ | 14 | 96 | 3 | 1.0535 | 1.201 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VPO5 | ICSD | 425536 | P4/n (85) | ✔ | 14 | 96 | 3 | 2.1052 | 2.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VPO5 | ICSD | 425552 | C2/m (12) | ✔ | 14 | 96 | 2 | 1.1715 | 1.369 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VPO5 | ICSD | 77598 | P4/n (85) | ✔ | 14 | 96 | 2 | 0.4974 | 0.497 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sb2O5 | COD | 9011205 | C2/c (15) | ✔ | 14 | 80 | 3 | 0.9086 | 0.925 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VSO5 | COD | 1528702 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.944 | (0;000) | ✗ | 27/01/17 |
| Ta2O5 | ICSD | 95462 | Pmmm (47) | ✔ | 7 | 56 | 3 | 0.0961 | 0.371 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ta2O5 | COD | 2102123 | C2/c (15) | ✔ | 14 | 112 | 3 | 3.6486 | 3.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCuAs | ICSD | 41705 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.214 | 0.134 | (0;000) | ✗ | 05/01/17 |
| V2O5 | ICSD | 156052 | C2/c (15) | ✔ | 14 | 112 | 3 | 1.3792 | 1.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V2O5 | COD | 2102583 | P2_1/m (11) | ✔ | 14 | 112 | 2 | 1.6128 | 1.826 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V2O5 | ICSD | 43132 | Pmmn (59) | ✔ | 14 | 112 | 1 | 0.0 | 0.004 | 0.487 | (0;000) | ✗ | 27/01/17 |
| V2O5 | COD | 9000091 | C2/m (12) | ✔ | 7 | 56 | 2 | 0.4944 | 0.760 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CrCdO4 | COD | 1008084 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.2233 | 1.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScTa(PbO3)2 | ICSD | 77739 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 2.2483 | 2.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sb2PbO6 | COD | 1530091 | P-31m (162) | ✔ | 9 | 60 | 3 | 2.031 | 2.416 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn(PtO2)3 | ICSD | 35339 | Cmmm (65) | ✔ | 10 | 78 | 3 | 0.1944 | 0.194 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2YReO6 | ICSD | 25404 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
| Sr(RuO3)2 | ICSD | 248351 | P-31m (162) | ✔ | 9 | 78 | 2 | 0.0589 | 0.098 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(SbO3)2 | COD | 2009657 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.4073 | 3.605 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2YSbO6 | ICSD | 157886 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 3.803 | 3.803 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2YTaO6 | ICSD | 247458 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.5326 | 3.533 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2ZrTiO6 | ICSD | 190548 | I4/m (87) | ✔ | 10 | 72 | 3 | 2.6501 | 2.673 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2ZnWO6 | ICSD | 28599 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.128 | 0.064 | (0;000) | ✗ | 27/01/17 |
| Ta2VO6 | COD | 1001151 | P4_2/mnm (136) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.871 | (0;000) | ✗ | 27/01/17 |
| RuBr3 | ICSD | 28119 | Cm2m (38) | ✗ | 8 | 74 | 1 | 0.0 | 0.064 | 0.330 | (0;000) | ✔ | 06/10/16 |
| V2ZnO6 | ICSD | 30880 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.3293 | 2.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiP2O7 | ICSD | 423437 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 5.4719 | 5.472 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn2P2O7 | ICSD | 24153 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.6804 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sc2Si2O7 | COD | 1528085 | C2/m (12) | ✔ | 11 | 72 | 3 | 4.4236 | 4.615 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2Si2O7 | COD | 2013549 | C2/m (12) | ✔ | 11 | 72 | 3 | 4.9676 | 4.968 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V2Zn2O7 | ICSD | 250002 | C2/m (12) | ✔ | 11 | 92 | 3 | 2.8851 | 3.204 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P2Pb3O8 | COD | 2102273 | R-3m (166) | ✔ | 13 | 100 | 1 | 3.1324 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbTa(PO4)2 | ICSD | 54098 | C2/m (12) | ✔ | 12 | 80 | 2 | 3.5625 | 3.682 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr3(PO4)2 | COD | 8103716 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.5754 | 5.803 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V2Pb3O8 | ICSD | 69798 | R-3m (166) | ✔ | 13 | 116 | 3 | 2.6673 | 2.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn(ReO4)2 | ICSD | 51017 | P-3 (147) | ✔ | 11 | 90 | 3 | 4.3345 | 4.374 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr3V2O8 | ICSD | 167701 | R-3m (166) | ✔ | 13 | 104 | 1 | 4.1826 | 4.367 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaMnAsF | ICSD | 248365 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.857 | (0;000) | ✗ | 05/01/17 |
| O2 | ICSD | 236857 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.0 | 0.401 | 0.146 | (0;000) | ✗ | 27/01/17 |
| O2 | COD | 1512527 | C2/m (12) | ✔ | 2 | 12 | 1 | 0.0 | 0.027 | 0.813 | (0;000) | ✗ | 27/01/17 |
| O2 | ICSD | 28530 | P4/mmm (123) | ✔ | 1 | 6 | 1 | 0.0 | 0.025 | 0.322 | (0;000) | ✗ | 27/01/17 |
| Sr4P2O | ICSD | 33903 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.2028 | 1.238 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaZnAsF | ICSD | 189936 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.1626 | 0.163 | 0.000 | (0;000) | ✗ | 05/01/17 |
| PbO | COD | 2310433 | Pbcm (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 27/01/17 |