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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BaSiPt | ICSD | 604438 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.537 | ? | ✗ | 21/03/17 |
| Cs3Bi2Cl9 | ICSD | 23349 | P321 (150) | ✗ | 14 | 120 | 2 | 2.3527 | 2.440 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Sr4Bi3 | ICSD | 96944 | I-43d (220) | ✗ | 14 | 170 | 1 | 0.0 | 0.000 | 0.579 | ? | ✗ | 21/03/17 |
| BiPO4 | COD | 9008088 | P3_121 (152) | ✗ | 18 | 132 | 3 | 3.0778 | 3.125 | 0.000 | (0;000) | ✗ | 21/03/17 |
| LiBPt3 | COD | 1511220 | P-62m (189) | ✗ | 15 | 108 | 3 | 0.0 | 0.000 | 0.810 | ? | ✗ | 21/03/17 |
| GaSeBr7 | COD | 8101317 | Pc (7) | ✗ | 18 | 136 | 1 | 2.2271 | 2.259 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Zn2BrN | ICSD | 425736 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 1.9216 | 1.922 | 0.000 | (0;000) | ✗ | 21/03/17 |
| H2C2O | COD | 7054719 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8651 | 3.865 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Tl2C3O4 | ICSD | 260372 | C2 (5) | ✗ | 18 | 124 | 3 | 0.6959 | 0.021 | 1.000 | (0;000) | ✗ | 21/03/17 |
| CdHgC4(SeN)4 | COD | 2206021 | I-4 (82) | ✗ | 14 | 84 | 3 | 2.4203 | 2.607 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZnHgC4(SN)4 | COD | 2008857 | I-4 (82) | ✗ | 14 | 84 | 3 | 2.6464 | 2.859 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ca2PdWO6 | ICSD | 83259 | Pmm2 (25) | ✗ | 20 | 176 | 3 | 0.0 | 0.000 | 1.000 | ? | ✗ | 21/03/17 |
| CaP | ICSD | 83352 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.2772 | 1.127 | 0.000 | (0;000) | ✔ | 22/03/17 |
| CdSi(CuSe2)2 | ICSD | 619783 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5507 | 0.551 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdHgS4 | ICSD | 26857 | I-4 (82) | ✗ | 6 | 48 | 1 | 0.0 | 0.009 | 0.786 | ? | ✗ | 22/03/17 |
| CdI2 | ICSD | 44792 | P3m1 (156) | ✗ | 12 | 104 | 1 | 1.9912 | 2.173 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TiCdO3 | COD | 2310616 | Pna2_1 (33) | ✗ | 20 | 168 | 3 | 1.9899 | 1.990 | 0.000 | (0;000) | ✗ | 22/03/17 |
| HCBr3 | COD | 1504397 | P6_3 (173) | ✗ | 10 | 52 | 1 | 3.6186 | 3.620 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Pb(ClO3)2 | ICSD | 40286 | Fdd2 (43) | ✗ | 18 | 128 | 3 | 3.7072 | 3.713 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2OsNCl5 | ICSD | 43729 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 1.9726 | 1.973 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaClO3 | COD | 1010057 | P2_13 (198) | ✗ | 20 | 136 | 1 | 1.1406 | 1.153 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCN2 | COD | 2011885 | I-42d (122) | ✗ | 16 | 104 | 3 | 3.5423 | 3.901 | 0.000 | (0;000) | ✗ | 22/03/17 |
| HfCoSn | ICSD | 107472 | P-62c (190) | ✗ | 18 | 258 | 3 | 0.0 | 0.000 | 0.514 | ? | ✗ | 22/03/17 |
| RbCrI3 | COD | 1528243 | C2 (5) | ✗ | 20 | 176 | 2 | 0.0 | 0.001 | 0.604 | ? | ✗ | 22/03/17 |
| Ta3CrS6 | ICSD | 626633 | P6_322 (182) | ✗ | 20 | 178 | 3 | 0.0 | 0.001 | 0.670 | ? | ✗ | 22/03/17 |
| Cs2Se | ICSD | 41687 | Fdd2 (43) | ✗ | 6 | 48 | 1 | 1.3763 | 1.379 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsSO3 | COD | 1530294 | P6_3mc (186) | ✗ | 20 | 132 | 1 | 5.8133 | 5.813 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MnCu2GeSe4 | ICSD | 627741 | Pmn2_1 (31) | ✗ | 16 | 130 | 3 | 0.0 | 0.000 | 0.746 | ? | ✗ | 22/03/17 |
| MgCu2SiSe4 | ICSD | 425556 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 0.9391 | 0.939 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCu2SnTe4 | ICSD | 656156 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.006 | 0.078 | (1;000) | ✔ | 22/03/17 |
| CuHgSI | ICSD | 413309 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7199 | 0.720 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Hg3(SF)2 | COD | 1528807 | I2_13 (199) | ✗ | 14 | 124 | 3 | 1.9735 | 2.193 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SnF2 | ICSD | 14195 | P4_12_12 (92) | ✗ | 12 | 112 | 3 | 3.6722 | 3.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TeH2NF5 | ICSD | 171449 | P2_1 (4) | ✗ | 18 | 96 | 1 | 3.0378 | 3.109 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KNbF6 | COD | 2310528 | P-4c2 (116) | ✗ | 16 | 128 | 3 | 2.9122 | 2.918 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TiFeGe | ICSD | 632139 | Ima2 (46) | ✗ | 18 | 144 | 3 | 21.2999 | 0.005 | 1.000 | (0;000) | ✗ | 22/03/17 |
| Nb3FeSe6 | ICSD | 632811 | P6_322 (182) | ✗ | 20 | 166 | 3 | 0.0 | 0.000 | 0.775 | ? | ✗ | 22/03/17 |
| Ga2TeS2 | ICSD | 8028 | I4_1md (109) | ✗ | 10 | 88 | 3 | 1.9488 | 1.980 | 0.000 | (0;000) | ✗ | 22/03/17 |
| GaTeI7 | ICSD | 407982 | Pc (7) | ✗ | 18 | 136 | 1 | 1.5755 | 1.763 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZrGaPt | ICSD | 152132 | P-62c (190) | ✗ | 18 | 162 | 3 | 0.0 | 0.000 | 0.418 | ? | ✗ | 22/03/17 |
| Mn3GeIr | ICSD | 150394 | P2_13 (198) | ✗ | 20 | 264 | 3 | 0.0 | 0.001 | 0.500 | ? | ✗ | 22/03/17 |
| SrGeO3 | ICSD | 28603 | P-62m (189) | ✗ | 15 | 96 | 1 | 1.7626 | 1.776 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TiGeRu | ICSD | 637762 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.025 | 0.584 | ? | ✗ | 22/03/17 |
| Zn(HO)2 | COD | 9015545 | P2_12_12_1 (19) | ✗ | 20 | 104 | 3 | 3.5812 | 3.581 | 0.000 | (0;000) | ✗ | 28/03/17 |
| HgI2 | ICSD | 95272 | P-4m2 (115) | ✗ | 12 | 104 | 3 | 0.0 | 0.005 | 0.318 | (1;111) | ✔ | 29/03/17 |
| NaHg2IO2 | COD | 9012531 | P6_222 (180) | ✗ | 18 | 156 | 3 | 1.378 | 1.658 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Tl2SnHgTe4 | COD | 4000660 | I-42m (121) | ✗ | 8 | 76 | 3 | 0.0 | 0.159 | 0.086 | (0;000) | ✔ | 29/03/17 |
| PbI2 | COD | 9009141 | P3m1 (156) | ✗ | 9 | 84 | 1 | 1.4418 | 1.442 | 0.000 | (0;000) | ✗ | 29/03/17 |
| In2Te3 | ICSD | 44364 | I4mm (107) | ✗ | 15 | 132 | 3 | 0.0 | 0.000 | 0.429 | ? | ✗ | 29/03/17 |
| Li2MgIr | ICSD | 180119 | P-43m (215) | ✗ | 16 | 132 | 3 | 0.0 | 0.000 | 0.843 | ? | ✗ | 29/03/17 |
| K2Pb2O3 | COD | 1527769 | I2_13 (199) | ✗ | 14 | 128 | 3 | 1.0401 | 1.048 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KSb(PS3)2 | COD | 8100520 | P2_1 (4) | ✗ | 20 | 120 | 2 | 2.212 | 2.233 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li2SnTeO6 | ICSD | 40265 | Pnn2 (34) | ✗ | 20 | 124 | 3 | 1.5928 | 1.593 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Rb2LiVO4 | ICSD | 40218 | Cmc2_1 (36) | ✗ | 16 | 116 | 1 | 3.9707 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Mn3P | ICSD | 643224 | I-4 (82) | ✗ | 16 | 200 | 3 | 33.5527 | 0.002 | 1.000 | (0;000) | ✗ | 29/03/17 |
| Na3MoNO3 | ICSD | 98673 | Pmn2_1 (31) | ✗ | 16 | 128 | 1 | 3.4025 | 3.551 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Na3VSO3 | ICSD | 419401 | R3c (161) | ✗ | 16 | 128 | 1 | 2.9992 | 2.999 | 0.000 | (0;000) | ✗ | 29/03/17 |
| NaNbO3 | COD | 1528864 | Pmc2_1 (26) | ✗ | 20 | 160 | 3 | 2.3551 | 2.359 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Nb3NiS6 | COD | 9011967 | P6_322 (182) | ✗ | 20 | 170 | 3 | 0.0 | 0.000 | 0.815 | ? | ✗ | 29/03/17 |
| NbSiRu | ICSD | 600057 | Ima2 (46) | ✗ | 18 | 198 | 3 | 0.0 | 0.002 | 0.832 | ? | ✗ | 29/03/17 |
| SrNiSn3 | COD | 1523462 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.020 | 0.358 | (1;000) | ✔ | 29/03/17 |
| Rb2O3 | ICSD | 647340 | I-43d (220) | ✗ | 20 | 144 | 1 | 0.0 | 0.000 | 0.758 | ? | ✗ | 29/03/17 |
| VP2O7 | COD | 1526398 | P2_1 (4) | ✗ | 20 | 130 | 3 | 0.0 | 0.001 | 0.537 | ? | ✗ | 29/03/17 |
| P3Pd7 | ICSD | 200055 | R3 (146) | ✗ | 20 | 282 | 3 | 0.0 | 0.002 | 0.843 | ? | ✗ | 29/03/17 |
| SrSn3Pd | COD | 1523463 | I4mm (107) | ✗ | 5 | 70 | 3 | 0.0 | 0.015 | 0.376 | (0;001) | ✔ | 29/03/17 |
| RbSb | COD | 7221396 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5751 | 0.578 | 0.000 | (0;000) | ✗ | 29/03/17 |
| SiS2 | COD | 9016349 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 1.268 | 1.837 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Zr3Sb | ICSD | 651786 | I-4 (82) | ✗ | 16 | 68 | 3 | 0.0 | 0.010 | 0.462 | ? | ✗ | 29/03/17 |
| ZnS | COD | 9000085 | P6_3mc (186) | ✗ | 20 | 180 | 3 | 2.0884 | 2.088 | 0.000 | (0;000) | ✗ | 29/03/17 |
| RbSe | ICSD | 73177 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0379 | 0.404 | 0.000 | (0;000) | ✔ | 10/04/17 |
| Al4W | ICSD | 58205 | Cm (8) | ✗ | 15 | 120 | 3 | 0.0 | 0.008 | 0.676 | ? | ✗ | 11/04/17 |
| Sr2CdWO6 | ICSD | 71840 | Pmm2 (25) | ✗ | 20 | 192 | 3 | 2.9479 | 3.050 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Cu2WS4 | ICSD | 72529 | P-42m (111) | ✗ | 7 | 74 | 2 | 1.0439 | 1.432 | 0.000 | (0;000) | ✗ | 11/04/17 |
| KGa3 | COD | 1523230 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.2203 | 0.391 | 0.000 | (0;000) | ✔ | 11/04/17 |
| RbPbIO6 | ICSD | 73615 | P6_322 (182) | ✗ | 18 | 132 | 2 | 0.0 | 0.000 | 0.244 | (1;000) | ✔ | 11/04/17 |
| RbTe | ICSD | 73179 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0 | 0.463 | 0.249 | (0;000) | ✔ | 11/04/17 |
| ScAgSn | COD | 4307156 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.237 | (0;000) | ✔ | 13/04/17 |
| BiRhS | ICSD | 617013 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.2752 | 0.801 | 0.000 | (0;000) | ✔ | 24/04/17 |
| SiPd2 | ICSD | 648857 | P-62m (189) | ✗ | 9 | 120 | 3 | 0.0 | 0.000 | 0.277 | (1;000) | ✔ | 24/04/17 |
| CuTeAs | ICSD | 610367 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.014 | 0.239 | (0;000) | ✔ | 26/04/17 |
| Y3Co | ICSD | 192246 | P2_12_12_1 (19) | ✗ | 16 | 200 | 3 | 0.0 | 0.003 | 0.301 | (0;000) | ✔ | 26/04/17 |
| ReTeS | COD | 2004916 | F-43m (216) | ✗ | 12 | 108 | 3 | 0.0279 | 0.408 | 0.000 | (0;000) | ✔ | 26/04/17 |
| Al2CdCl8 | ICSD | 62037 | Pc (7) | ✗ | 22 | 148 | 3 | 4.0271 | 4.029 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaAlCl4 | COD | 1004043 | P2_12_12_1 (19) | ✗ | 24 | 160 | 1 | 4.7141 | 4.714 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Te2Au | COD | 1011091 | Pma2 (28) | ✗ | 24 | 184 | 3 | 0.0 | 0.002 | 0.593 | ? | ✗ | 04/08/17 |
| HgB4O7 | COD | 7209503 | Pmn2_1 (31) | ✗ | 24 | 132 | 3 | 2.0827 | 2.216 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba7(ClF6)2 | ICSD | 87084 | P-6 (174) | ✗ | 21 | 168 | 1 | 6.1133 | 6.113 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mn2Bi3O7 | ICSD | 184382 | Cmc2_1 (36) | ✗ | 24 | 234 | 3 | 0.0 | 0.000 | 0.742 | ? | ✗ | 04/08/17 |
| Sr7(H6Br)2 | ICSD | 418949 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.7126 | 3.878 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H3C4O5 | COD | 5000188 | Cc (9) | ✗ | 24 | 98 | 1 | 4.4946 | 0.001 | 1.000 | (0;000) | ✗ | 04/08/17 |
| CaCuO2 | ICSD | 84868 | P2_1 (4) | ✗ | 16 | 132 | 3 | 0.0 | 0.029 | 0.279 | ? | ✗ | 04/08/17 |
| CdI2 | ICSD | 9194 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.8969 | 2.099 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Pb7(ClF6)2 | COD | 1523195 | P-6 (174) | ✗ | 21 | 196 | 3 | 3.7981 | 3.847 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TiCl3 | ICSD | 26070 | P3_112 (151) | ✗ | 24 | 198 | 2 | 0.0 | 0.000 | 0.883 | ? | ✗ | 04/08/17 |
| Re2Mo3C | ICSD | 618337 | P4_132 (213) | ✗ | 24 | 304 | 3 | 0.0 | 0.000 | 0.729 | ? | ✗ | 04/08/17 |
| CsCuS4 | ICSD | 402075 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.7745 | 1.793 | 0.000 | (0;000) | ✗ | 04/08/17 |
| OsO2F3 | COD | 4332767 | Pc (7) | ✗ | 24 | 196 | 1 | 0.5633 | 0.583 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeS | COD | 9007651 | P-62c (190) | ✗ | 24 | 168 | 3 | 0.0 | 0.001 | 0.589 | ? | ✗ | 04/08/17 |
| H2SeO3 | ICSD | 31929 | P2_12_12_1 (19) | ✗ | 24 | 104 | 1 | 4.6454 | 4.832 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbTe4Ir | ICSD | 656451 | Pmn2_1 (31) | ✗ | 24 | 216 | 2 | 0.0 | 0.002 | 0.162 | ? | ✗ | 04/08/17 |