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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ti3Ir | ICSD | 641120 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.692 | (0;000) | ✗ | 27/01/17 |
| CO | ICSD | 26962 | P2_13 (198) | ✗ | 8 | 40 | 1 | 6.4576 | 6.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VAuS2 | COD | 1510284 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.553 | 0.073 | (0;000) | ✗ | 05/01/17 |
| CaZn3Se4 | ICSD | 167831 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.2442 | 1.244 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3ZnSe4 | ICSD | 167833 | P-43m (215) | ✗ | 8 | 66 | 1 | 1.9339 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cu3Ge | ICSD | 86003 | Pnmm (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.913 | (1;000) | ✗ | 06/10/16 |
| AuSe | COD | 1510297 | C2/m (12) | ✔ | 8 | 68 | 2 | 0.0 | 0.580 | 0.173 | (0;000) | ✗ | 05/01/17 |
| Cu3Sb | ICSD | 44479 | Pmmn (59) | ✔ | 8 | 76 | 3 | 0.0 | 0.003 | 0.193 | (1;000) | ✗ | 27/01/17 |
| Ta3Au | COD | 1510309 | Pm-3n (223) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.563 | (0;000) | ✗ | 05/01/17 |
| Ti3Au | COD | 1510314 | Pm-3n (223) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.710 | (1;000) | ✗ | 05/01/17 |
| Cu3Sb | ICSD | 628990 | Pmnm (59) | ✔ | 8 | 76 | 3 | 0.0 | 0.012 | 0.233 | (1;000) | ✗ | 06/10/16 |
| V3Au | ICSD | 612459 | Pm-3n (223) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.652 | (1;111) | ✗ | 05/01/17 |
| Cu3Sn | ICSD | 150503 | Pmnm (59) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
| Zr3Au | COD | 1510331 | Pm-3n (223) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.760 | (0;000) | ✗ | 05/01/17 |
| TiCu3 | ICSD | 107712 | Pmmn (59) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.795 | (1;000) | ✗ | 27/01/17 |
| TlF | ICSD | 90992 | Pmab (57) | ✔ | 8 | 80 | 2 | 2.8245 | 2.913 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cr3CdTe4 | ICSD | 181055 | P-43m (215) | ✗ | 8 | 78 | 3 | 0.0 | 0.000 | 0.425 | ? | ✗ | 06/10/16 |
| Zn3CdS4 | ICSD | 168376 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.7167 | 1.717 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn3CdS4 | ICSD | 169185 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.8744 | 1.874 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn3CdSe4 | ICSD | 188388 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.6307 | 0.631 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LaF3 | ICSD | 167553 | Pmmn (59) | ✔ | 8 | 48 | 3 | 6.5026 | 6.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NiF3 | ICSD | 87943 | R-3 (148) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.663 | (0;000) | ✗ | 27/01/17 |
| CrCd3Te4 | ICSD | 181053 | P-43m (215) | ✗ | 8 | 74 | 3 | 0.0 | 0.032 | 0.067 | (0;000) | ✔ | 06/10/16 |
| ZnCd3S4 | ICSD | 168374 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.2943 | 1.294 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiPt3 | ICSD | 246170 | C2/m (12) | ✔ | 8 | 68 | 3 | 0.0 | 0.131 | 0.074 | (0;000) | ✔ | 27/01/17 |
| ZnCd3S4 | ICSD | 169187 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.364 | 1.364 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnCd3Se4 | ICSD | 188386 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.425 | 0.425 | 0.000 | (0;000) | ✔ | 06/10/16 |
| KN3 | COD | 2310495 | I4/mcm (140) | ✔ | 8 | 48 | 3 | 0.0 | 0.007 | 0.710 | (0;111) | ✗ | 27/01/17 |
| KSbO2 | ICSD | 411214 | C2/c (15) | ✔ | 8 | 52 | 1 | 1.9478 | 1.951 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KN3 | COD | 1010391 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.4493 | 4.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KNbSe2 | ICSD | 26288 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.5237 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NO | ICSD | 27871 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.002 | 0.048 | (0;010) | ✔ | 27/01/17 |
| GeS | ICSD | 637785 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.8942 | 1.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNbS2 | ICSD | 26286 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.8125 | 1.390 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr3Fe | ICSD | 106700 | Cmcm (63) | ✔ | 8 | 88 | 3 | 0.0 | 0.009 | 0.702 | (1;000) | ✗ | 06/10/16 |
| ReB3 | ICSD | 24361 | P6_3/mmc (194) | ✔ | 8 | 48 | 3 | 0.0 | 0.012 | 0.698 | (1;000) | ✗ | 05/01/17 |
| CrCl3 | ICSD | 22080 | C2/m (12) | ✔ | 8 | 70 | 2 | 0.0 | 0.028 | 0.272 | (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 |
| CoF3 | COD | 2310597 | R-3c (167) | ✔ | 8 | 76 | 3 | 0.1224 | 0.146 | 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 |
| FeCl3 | COD | 9012000 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.009 | 0.517 | (0;000) | ✗ | 27/01/17 |
| Cu3Ge | ICSD | 627678 | Pmmn (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.936 | (1;010) | ✗ | 27/01/17 |
| K2CdPb | ICSD | 10041 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.1156 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
| KAlTe2 | ICSD | 44703 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 1.5093 | 1.811 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2CdSn | ICSD | 620066 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.0462 | 0.306 | 0.000 | (0;000) | ✔ | 05/12/16 |
| Cu3P | COD | 1528021 | P-3m1 (164) | ✔ | 8 | 76 | 3 | 0.0 | 0.013 | 0.548 | (1;000) | ✗ | 27/01/17 |
| NaAlTe2 | ICSD | 44701 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 1.3954 | 1.477 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KZn4P3 | COD | 4326070 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.4584 | 0.500 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2O2 | COD | 9008989 | Cmce (64) | ✔ | 8 | 60 | 1 | 2.4198 | 2.510 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3Cu3P2 | COD | 7221376 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.2649 | 1.324 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
| GeIr | ICSD | 52126 | Pmnb (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.568 | (0;011) | ✗ | 06/10/16 |
| AlPt3 | ICSD | 107439 | P4/mbm (127) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.715 | (1;001) | ✗ | 30/01/17 |
| AlPt3 | ICSD | 656679 | I4/mcm (140) | ✔ | 8 | 66 | 3 | 0.0 | 0.001 | 0.579 | (0;111) | ✗ | 30/01/17 |
| LaGe | ICSD | 413736 | Ccmm (63) | ✔ | 8 | 28 | 3 | 0.0 | 0.028 | 0.459 | (0;000) | ✗ | 06/10/16 |
| TlFeS2 | COD | 9011992 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.0 | 0.017 | 0.290 | (0;000) | ✗ | 27/01/17 |
| Cu3Sn | COD | 1524122 | Pmmn (59) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.937 | (1;010) | ✗ | 27/01/17 |
| AlTlSe2 | COD | 7221238 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 0.25 | 0.277 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cu3Sn | ICSD | 162569 | P6_3/mmc (194) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.951 | (1;000) | ✗ | 27/01/17 |
| Cs3LiCl4 | ICSD | 245969 | Cm2m (38) | ✗ | 8 | 58 | 1 | 4.5309 | 4.531 | 0.000 | (0;000) | ✗ | 28/10/16 |
| CoMoP2 | ICSD | 624219 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.623 | (0;000) | ✗ | 27/01/17 |
| GePd | ICSD | 659798 | Pmnb (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.023 | 0.396 | (0;000) | ✗ | 06/10/16 |
| Hf2TlC | ICSD | 618061 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.971 | (0;000) | ✗ | 27/01/17 |
| GePt | ICSD | 2624 | Pmnb (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.038 | 0.320 | (0;000) | ✗ | 06/10/16 |
| LiTlO2 | ICSD | 33633 | I4_1/amd (141) | ✔ | 8 | 56 | 3 | 0.1194 | 1.173 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrZnPF | COD | 7203808 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8953 | 0.895 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GeRh | ICSD | 44861 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.264 | (0;011) | ✗ | 06/10/16 |
| NiGePt2 | ICSD | 87348 | Fmmm (69) | ✔ | 8 | 68 | 3 | 0.0 | 0.025 | 0.298 | (0;000) | ✗ | 27/01/17 |
| GeS | ICSD | 1256 | Pmcn (62) | ✔ | 8 | 40 | 2 | 1.1038 | 1.104 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn3CrSe4 | ICSD | 186188 | P-43m (215) | ✗ | 8 | 74 | 3 | 0.0 | 0.045 | 0.111 | (0;000) | ✔ | 06/10/16 |
| Zn3CrTe4 | ICSD | 186189 | P-43m (215) | ✗ | 8 | 74 | 3 | 0.0 | 0.019 | 0.140 | (0;000) | ✔ | 06/10/16 |
| GeSe | ICSD | 17006 | Pmcn (62) | ✔ | 8 | 40 | 2 | 0.5998 | 0.700 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeSe | ICSD | 637852 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.6476 | 0.829 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrCuSF | ICSD | 157433 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4773 | 1.477 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2ZnSi | ICSD | 642379 | P6_3/mmc (194) | ✔ | 8 | 44 | 3 | 0.0 | 0.009 | 0.590 | (0;000) | ✗ | 27/01/17 |
| GeTe | ICSD | 638005 | Pnma (62) | ✔ | 8 | 40 | 2 | 0.0 | 0.104 | 0.027 | (0;000) | ✗ | 02/02/17 |
| BaCdPF | ICSD | 189937 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.1441 | 1.144 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2ZnSi | ICSD | 642380 | P-3m1 (164) | ✔ | 8 | 44 | 2 | 0.0 | 0.016 | 0.354 | (1;000) | ✗ | 27/01/17 |
| ZrGe | ICSD | 638153 | Pmnb (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.018 | 0.088 | (1;000) | ✗ | 06/10/16 |
| NaLi5N2 | COD | 1526574 | P4/mmm (123) | ✔ | 8 | 34 | 1 | 1.4815 | 1.482 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3P | COD | 2212780 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.695 | 2.117 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCoS2 | COD | 1005029 | P4/nmm (129) | ✔ | 8 | 78 | 2 | 0.0 | 0.000 | 0.774 | (1;000) | ✗ | 05/01/17 |
| BaCrF6 | COD | 1525278 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.174 | (0;000) | ✗ | 05/01/17 |
| BaCrS2 | COD | 4321901 | Pmmn (59) | ✔ | 8 | 72 | 2 | 0.0 | 0.013 | 0.275 | (0;000) | ✗ | 05/01/17 |
| BaCuSeF | ICSD | 75585 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCuSF | ICSD | 183712 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.6889 | 1.689 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li3Sb | COD | 1010289 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.25 | 1.619 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCuTeF | ICSD | 245624 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8274 | 0.827 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaGeF6 | COD | 1010206 | R-3m (166) | ✔ | 8 | 56 | 1 | 6.4215 | 6.422 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaNiF6 | ICSD | 35396 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.4123 | 1.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaPbF6 | ICSD | 25521 | R-3m (166) | ✔ | 8 | 66 | 1 | 3.4266 | 3.427 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaSiF6 | COD | 1530106 | R-3m (166) | ✔ | 8 | 56 | 1 | 7.8259 | 7.826 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaSnF6 | ICSD | 33788 | R-3 (148) | ✔ | 8 | 66 | 1 | 5.7036 | 5.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaTiF6 | ICSD | 33789 | R-3m (166) | ✔ | 8 | 64 | 1 | 4.8484 | 4.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiTiO2 | ICSD | 164158 | I4_1/amd (141) | ✔ | 8 | 54 | 3 | 0.0 | 0.000 | 0.622 | (1;111) | ✗ | 27/01/17 |
| SrCuTeF | ICSD | 183708 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3841 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YGe3 | ICSD | 88075 | Cmcm (63) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.736 | (0;000) | ✗ | 27/01/17 |
| BaMnPF | COD | 7203816 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.850 | (0;001) | ✗ | 05/01/17 |
| InCuSe2 | ICSD | 250247 | P1 (1) | ✗ | 8 | 72 | 3 | 0.0 | 0.016 | 0.025 | (1;000) | ✔ | 06/10/16 |
| BaMnSbF | ICSD | 248366 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.872 | (0;000) | ✗ | 05/01/17 |