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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ZnSi(AgO2)2 | ICSD | 81327 | Pc (7) | ✗ | 16 | 124 | 3 | 0.5309 | 0.677 | 0.000 | (0;000) | ✗ | 16/03/17 |
| BaAg2SnSe4 | COD | 4000566 | I222 (23) | ✗ | 8 | 70 | 3 | 0.0 | 0.526 | 0.035 | (0;000) | ✔ | 16/03/17 |
| MgCuBi | ICSD | 58774 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.000 | 0.315 | (0;000) | ✔ | 15/03/17 |
| S | COD | 9014401 | P3_221 (154) | ✗ | 9 | 54 | 1 | 1.6752 | 1.727 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TaS2 | ICSD | 52117 | R3m (160) | ✗ | 6 | 50 | 1 | 0.0 | 0.013 | 0.851 | ? | ✗ | 15/02/17 |
| ZrSnPd | COD | 1523924 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.649 | 0.084 | (0;000) | ✔ | 15/02/17 |
| Ta2O | ICSD | 28387 | I-43m (217) | ✗ | 12 | 128 | 3 | 0.0 | 0.000 | 0.890 | ? | ✗ | 15/02/17 |
| Zn2SiO4 | COD | 9007526 | I-42d (122) | ✗ | 14 | 104 | 3 | 2.8884 | 2.888 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006304 | P1 (1) | ✗ | 12 | 64 | 3 | 4.624 | 4.702 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006290 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.6102 | 5.610 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | ICSD | 155241 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.4447 | 1.658 | 0.000 | (0;000) | ✔ | 15/02/17 |
| NiS | COD | 1011038 | R3m (160) | ✗ | 6 | 48 | 3 | 0.0 | 0.000 | 0.430 | ? | ✗ | 15/02/17 |
| VNiSb | ICSD | 76702 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.628 | ? | ✗ | 15/02/17 |
| Ni3P | COD | 9011823 | I-4 (82) | ✗ | 16 | 140 | 3 | 0.0 | 0.015 | 0.807 | ? | ✗ | 15/02/17 |
| ZnSiN2 | ICSD | 656276 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 3.0312 | 3.502 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MnSbPt | ICSD | 643379 | F-43m (216) | ✗ | 3 | 30 | 3 | 0.0 | 0.002 | 0.785 | ? | ✗ | 15/02/17 |
| Sr2MnSbO6 | COD | 2101591 | I4mm (107) | ✗ | 10 | 76 | 3 | 0.0 | 0.011 | 0.791 | ? | ✗ | 15/02/17 |
| LiYMo3O8 | ICSD | 28526 | P3m1 (156) | ✗ | 13 | 104 | 3 | 0.9313 | 0.931 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2ZrTeO6 | COD | 1001503 | R3 (146) | ✗ | 10 | 52 | 3 | 1.7277 | 2.063 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PIrSe | ICSD | 640901 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.6034 | 1.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaNiIO6 | ICSD | 23543 | P312 (149) | ✗ | 9 | 62 | 2 | 1.4416 | 1.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HfSn2 | ICSD | 638941 | P6_222 (180) | ✗ | 9 | 120 | 3 | 0.0 | 0.009 | 0.787 | ? | ✗ | 15/02/17 |
| HfNi5 | ICSD | 150940 | F-43m (216) | ✗ | 6 | 62 | 3 | 0.0 | 0.011 | 0.883 | ? | ✗ | 15/02/17 |
| H4S(NO)2 | ICSD | 62522 | Fdd2 (43) | ✗ | 18 | 64 | 1 | 6.3226 | 6.356 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HgH3IO6 | COD | 8100888 | P1 (1) | ✗ | 11 | 58 | 3 | 1.1757 | 1.205 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrGeTeO6 | ICSD | 88790 | P312 (149) | ✗ | 9 | 56 | 2 | 3.4878 | 3.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2ZnGeO4 | ICSD | 34362 | Pc (7) | ✗ | 16 | 92 | 3 | 3.3234 | 3.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
| GaPd | COD | 8103055 | P2_13 (198) | ✗ | 8 | 124 | 3 | 0.0 | 0.000 | 0.518 | ? | ✗ | 15/02/17 |
| Li2GaIr | ICSD | 107085 | F-43m (216) | ✗ | 4 | 36 | 3 | 0.0 | 0.051 | 0.669 | ? | ✗ | 15/02/17 |
| HOF | ICSD | 63681 | P2_12_12_1 (19) | ✗ | 12 | 56 | 1 | 3.5169 | 3.518 | 0.000 | (0;000) | ✗ | 15/02/17 |
| FeP4 | ICSD | 2442 | C222_1 (20) | ✗ | 10 | 56 | 2 | 0.7978 | 1.055 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Fe3P | ICSD | 43365 | I-4 (82) | ✗ | 16 | 116 | 3 | 0.0 | 0.013 | 1.000 | ? | ✗ | 15/02/17 |
| Fe2NiP | ICSD | 153485 | I-4 (82) | ✗ | 16 | 124 | 3 | 0.0 | 0.025 | 1.000 | ? | ✗ | 15/02/17 |
| Ti2CuSb3 | COD | 1526687 | P-4m2 (115) | ✗ | 6 | 50 | 3 | 0.0 | 0.001 | 0.797 | ? | ✗ | 15/02/17 |
| YInCu4 | ICSD | 628179 | F-43m (216) | ✗ | 6 | 68 | 3 | 0.0 | 0.502 | 0.123 | (0;000) | ✔ | 15/02/17 |
| ZnCu2GeSe4 | ICSD | 627827 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.023 | 0.007 | (1;000) | ✔ | 15/02/17 |
| FeCu2SnS4 | ICSD | 181166 | P-42m (111) | ✗ | 8 | 68 | 3 | 0.0 | 0.005 | 0.465 | ? | ✗ | 15/02/17 |
| CrHO2 | COD | 9015340 | Pmn2_1 (31) | ✗ | 8 | 54 | 3 | 0.0 | 0.000 | 0.917 | ? | ✗ | 15/02/17 |
| NbCoSn | COD | 1524613 | F-43m (216) | ✗ | 3 | 44 | 3 | 0.0 | 0.210 | 0.285 | (0;000) | ✔ | 15/02/17 |
| HCN | ICSD | 76418 | I4mm (107) | ✗ | 3 | 10 | 1 | 6.3817 | 6.740 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaCNO | COD | 1010310 | R3m (160) | ✗ | 4 | 24 | 1 | 4.1504 | 4.294 | 0.000 | (0;000) | ✗ | 15/02/17 |
| GeH3Cl | ICSD | 62109 | Cmc2_1 (36) | ✗ | 10 | 28 | 1 | 4.9989 | 5.116 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4CN2O | COD | 1008786 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1355 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KSrCO3F | ICSD | 262231 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.1919 | 4.195 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2CdPb | COD | 1524769 | F-43m (216) | ✗ | 4 | 32 | 3 | 0.0 | 0.000 | 0.303 | (1;000) | ✔ | 15/02/17 |
| CdHClO | ICSD | 91087 | P6_3mc (186) | ✗ | 8 | 52 | 2 | 2.6132 | 2.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CuCClO | ICSD | 63490 | Pmn2_1 (31) | ✗ | 8 | 56 | 2 | 2.3445 | 2.639 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2CaSiO4 | ICSD | 19023 | I-42m (121) | ✗ | 8 | 44 | 1 | 5.4389 | 5.954 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2CaHfF8 | ICSD | 95248 | I-4 (82) | ✗ | 12 | 84 | 1 | 7.2455 | 7.291 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li6PBrO5 | ICSD | 421480 | F-43m (216) | ✗ | 13 | 60 | 1 | 5.4171 | 5.417 | 0.000 | (0;000) | ✗ | 15/02/17 |