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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CaCuO2 | ICSD | 84868 | P2_1 (4) | ✗ | 16 | 132 | 3 | 0.0 | 0.029 | 0.279 | ? | ✗ | 04/08/17 |
| TiPd | ICSD | 167648 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.012 | 0.602 | (0;100) | ✗ | 06/10/16 |
| CaGa4O7 | COD | 2002230 | C2/c (15) | ✔ | 24 | 208 | 3 | 3.0163 | 3.016 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Al2Mo3C | ICSD | 42917 | P4_132 (213) | ✗ | 24 | 208 | 3 | 0.0 | 0.004 | 0.309 | ? | ✗ | 04/08/17 |
| Nb3Al2C | ICSD | 606237 | P4_132 (213) | ✗ | 24 | 196 | 3 | 0.0 | 0.000 | 0.354 | ? | ✗ | 04/08/17 |
| Ta3Al2C | ICSD | 606257 | P4_132 (213) | ✗ | 24 | 196 | 3 | 0.0 | 0.000 | 0.399 | ? | ✗ | 04/08/17 |
| KHgF3 | COD | 1527535 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.307 | 3.551 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCd | ICSD | 619188 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.668 | (0;111) | ✗ | 27/01/17 |
| KNbO3 | ICSD | 190923 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4036 | 3.267 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnIr | ICSD | 104496 | P4/mmm (123) | ✔ | 2 | 32 | 3 | 0.0 | 0.005 | 0.600 | (0;001) | ✗ | 27/01/17 |
| Nb2O2F3 | COD | 4123273 | C2/c (15) | ✔ | 14 | 118 | 3 | 0.0 | 0.000 | 0.850 | (1;100) | ✗ | 27/01/17 |
| CaTe3O8 | COD | 9000671 | C2/c (15) | ✔ | 24 | 152 | 3 | 2.4307 | 2.514 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KMgF3 | COD | 9006363 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 7.3144 | 7.623 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si3CCl8 | ICSD | 73125 | P-1 (2) | ✔ | 24 | 144 | 3 | 4.5556 | 4.605 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2CO3 | COD | 1527331 | P2_1/c (14) | ✔ | 24 | 160 | 3 | 3.4916 | 3.511 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Tl3Cd2I7 | ICSD | 63340 | Pbam (55) | ✔ | 24 | 224 | 3 | 1.5368 | 1.678 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd2P2O7 | COD | 2208748 | P-1 (2) | ✔ | 22 | 152 | 3 | 2.9988 | 3.347 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd4OF6 | COD | 4030609 | P4_2/nmc (137) | ✔ | 22 | 192 | 3 | 1.9948 | 2.002 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrCdO4 | COD | 1008085 | C2/m (12) | ✔ | 24 | 200 | 3 | 1.9739 | 2.046 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdCu2 | ICSD | 150582 | P6_3/mmc (194) | ✔ | 24 | 272 | 3 | 0.0 | 0.002 | 0.824 | (0;000) | ✗ | 04/08/17 |
| InF3 | ICSD | 38306 | R-3c (167) | ✔ | 8 | 68 | 3 | 4.4815 | 4.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnNiP | ICSD | 600852 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.646 | ? | ✗ | 06/10/16 |
| YPd | ICSD | 169021 | Cmcm (63) | ✔ | 4 | 58 | 3 | 0.0 | 0.000 | 0.814 | (0;110) | ✗ | 27/01/17 |
| IrF3 | COD | 2310601 | R-3c (167) | ✔ | 8 | 76 | 3 | 1.079 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Co(C2N3)2 | COD | 7115193 | Pnnm (58) | ✔ | 22 | 126 | 3 | 0.0 | 0.000 | 0.867 | (0;000) | ✗ | 04/08/17 |
| KNbO3 | ICSD | 9533 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0831 | 2.916 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InF3 | COD | 1528562 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.001 | 0.075 | (0;000) | ✗ | 27/01/17 |
| KPdF3 | ICSD | 73167 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.595 | (0;000) | ✗ | 27/01/17 |
| AgN | ICSD | 167874 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.010 | 0.885 | (1;111) | ✔ | 06/10/16 |
| Ca(CoGe)2 | ICSD | 406 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.024 | 0.628 | (1;111) | ✗ | 27/01/17 |
| V2CdO6 | ICSD | 21065 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.2965 | 2.306 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdP2 | COD | 1528584 | P4_32_12 (96) | ✗ | 24 | 176 | 3 | 1.1046 | 1.251 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Y4CdRu | ICSD | 419070 | F-43m (216) | ✗ | 24 | 288 | 3 | 0.0 | 0.000 | 0.267 | ? | ✗ | 04/08/17 |
| Fe2C | COD | 9014589 | Pnma (62) | ✔ | 24 | 160 | 3 | 0.0 | 0.010 | 0.343 | (0;000) | ✗ | 04/08/17 |
| H2CO | ICSD | 151343 | R3c (161) | ✗ | 24 | 72 | 3 | 6.4755 | 6.532 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KNbO3 | ICSD | 9534 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4592 | 3.318 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KMnF3 | COD | 4030704 | I4/mcm (140) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.393 | (0;111) | ✗ | 27/01/17 |
| Ca(CoSi)2 | ICSD | 420974 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.022 | 0.623 | (1;111) | ✗ | 27/01/17 |
| ZrPd | ICSD | 186411 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.030 | 0.330 | (1;000) | ✗ | 06/10/16 |
| Mg3Ir | COD | 1523606 | P6_3/mmc (194) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.869 | (1;000) | ✗ | 27/01/17 |
| TaIr3 | COD | 1523510 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.038 | 0.460 | (1;000) | ✗ | 27/01/17 |
| ScIr3 | ICSD | 108568 | Pm-3m (221) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.623 | (0;000) | ✗ | 27/01/17 |
| NaMgF3 | COD | 9003812 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 6.1969 | 6.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbIr3 | COD | 1523509 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.089 | 0.537 | (1;000) | ✗ | 27/01/17 |
| Pb7(ClF6)2 | COD | 1523195 | P-6 (174) | ✗ | 21 | 196 | 3 | 3.7981 | 3.847 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiIr3 | ICSD | 54975 | I4/mcm (140) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.269 | (0;111) | ✗ | 27/01/17 |
| Mg3NF3 | COD | 1528307 | Pm-3m (221) | ✔ | 7 | 56 | 3 | 3.7906 | 3.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg(ClO4)2 | COD | 2018117 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 6.019 | 6.019 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PbCl2 | ICSD | 81978 | P2_1/c (14) | ✔ | 24 | 224 | 3 | 0.8128 | 0.848 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KZnF3 | COD | 5910077 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.8219 | 5.649 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnCl2 | ICSD | 81979 | P2_1/c (14) | ✔ | 24 | 224 | 3 | 0.7863 | 1.125 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaMgF3 | COD | 9010120 | Cmcm (63) | ✔ | 10 | 80 | 3 | 9.6622 | 9.662 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiPt | ICSD | 184442 | Pmma (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.021 | 0.686 | (1;001) | ✗ | 27/01/17 |
| Ca(CuGe)2 | ICSD | 619230 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.030 | 0.787 | (0;000) | ✗ | 27/01/17 |
| VIr3 | COD | 1523511 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.005 | 0.606 | (0;111) | ✗ | 27/01/17 |
| CaCu2O3 | COD | 2002243 | Pmmn (59) | ✔ | 12 | 100 | 3 | 0.0 | 0.009 | 0.954 | (0;000) | ✗ | 27/01/17 |
| RbMgF3 | ICSD | 49585 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 7.6344 | 7.759 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiSiIr | ICSD | 641017 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.598 | (1;011) | ✗ | 27/01/17 |
| Nb3Ir | COD | 1523690 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.000 | 0.558 | (1;000) | ✗ | 27/01/17 |
| Mo3Ir | ICSD | 640823 | Pm-3n (223) | ✔ | 8 | 118 | 3 | 0.0 | 0.000 | 0.785 | (0;000) | ✗ | 27/01/17 |
| YF3 | ICSD | 26595 | Pnma (62) | ✔ | 16 | 128 | 3 | 7.8042 | 7.839 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbPbF3 | ICSD | 49591 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 1.7182 | 1.718 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YPt | ICSD | 649793 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.599 | (1;011) | ✗ | 06/10/16 |
| Ca(SiCu)2 | ICSD | 619238 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.025 | 0.779 | (0;000) | ✗ | 27/01/17 |
| ReCl3 | COD | 4343759 | R-3m (166) | ✔ | 24 | 216 | 3 | 0.8 | 0.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RuF3 | COD | 2310598 | R-3c (167) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.240 | (0;000) | ✗ | 27/01/17 |
| Ca(CuSn)2 | ICSD | 417717 | C2/m (12) | ✔ | 5 | 60 | 3 | 0.0 | 0.067 | 0.632 | (1;000) | ✗ | 27/01/17 |
| Ni2B | ICSD | 30448 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.001 | 0.838 | (0;111) | ✗ | 06/10/16 |
| RhF3 | COD | 2310599 | R-3c (167) | ✔ | 8 | 76 | 3 | 0.8988 | 1.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VPt | ICSD | 649822 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.819 | (0;101) | ✗ | 06/10/16 |
| CaIn2Cu | COD | 1528108 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.762 | (0;110) | ✗ | 27/01/17 |
| CaCuP | ICSD | 49740 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.861 | 0.050 | (0;000) | ✗ | 27/01/17 |
| RbPdF3 | ICSD | 73166 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.589 | (0;000) | ✗ | 27/01/17 |
| LiNiN | ICSD | 247028 | P-6m2 (187) | ✗ | 3 | 18 | 3 | 0.0 | 0.000 | 0.971 | (1;100) | ✔ | 06/10/16 |
| PdF3 | COD | 2310600 | R-3c (167) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.662 | (0;000) | ✗ | 27/01/17 |
| Ti3Sn | ICSD | 189710 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.834 | (1;000) | ✗ | 06/10/16 |
| VF3 | COD | 1000468 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.014 | 0.628 | (0;000) | ✗ | 27/01/17 |
| TaCl4F | ICSD | 27413 | I-4 (82) | ✗ | 24 | 192 | 3 | 2.6317 | 2.648 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SnF3 | ICSD | 33786 | Fm-3m (225) | ✔ | 8 | 70 | 3 | 3.359 | 4.041 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrPt | ICSD | 649884 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.027 | 0.426 | (0;000) | ✗ | 27/01/17 |
| ScF3 | ICSD | 261089 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 6.3805 | 6.897 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TlF3 | COD | 1528563 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.4643 | 1.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BP | ICSD | 181291 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.2188 | 3.369 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaF3 | ICSD | 30613 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.776 | (0;000) | ✗ | 27/01/17 |
| Si2N2O | ICSD | 66540 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1431 | 5.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Fe3C | COD | 5910001 | P-1 (2) | ✔ | 16 | 112 | 3 | 0.0 | 0.012 | 0.187 | (1;011) | ✗ | 04/08/17 |
| TaPt2 | ICSD | 105802 | Ccmm (63) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.632 | (1;110) | ✗ | 06/10/16 |
| CaPbF6 | ICSD | 25522 | Fm-3m (225) | ✔ | 8 | 66 | 3 | 3.1951 | 3.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbCl5 | ICSD | 66537 | P2_1/c (14) | ✔ | 24 | 192 | 3 | 2.3549 | 2.360 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na5LiN2 | ICSD | 92316 | P1 (1) | ✗ | 8 | 58 | 3 | 0.0 | 0.039 | 0.116 | (0;000) | ✔ | 06/10/16 |
| MoIr | COD | 1523679 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.817 | (0;001) | ✗ | 27/01/17 |
| LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YF3 | COD | 1011296 | Pm-3m (221) | ✔ | 12 | 96 | 3 | 4.7827 | 4.951 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaSiIr | ICSD | 411884 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.028 | 0.130 | (0;000) | ✗ | 27/01/17 |
| IrPb | COD | 1522693 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.897 | (1;000) | ✗ | 27/01/17 |
| NbIr | COD | 2310164 | P4/mmm (123) | ✔ | 2 | 30 | 3 | 0.0 | 0.004 | 0.541 | (0;001) | ✗ | 27/01/17 |
| ZnS | ICSD | 107611 | R3m (160) | ✗ | 2 | 18 | 3 | 2.1125 | 2.113 | 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 |
| CaTiF6 | COD | 1533036 | R-3m (166) | ✔ | 8 | 64 | 3 | 3.9477 | 3.948 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbIr | ICSD | 640828 | Pmma (51) | ✔ | 12 | 180 | 3 | 0.0 | 0.002 | 0.846 | (0;100) | ✗ | 27/01/17 |