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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| VFeSb | ICSD | 53539 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.3352 | 0.888 | 0.000 | (0;000) | ✔ | 15/02/17 |
| TlF | ICSD | 9873 | Pma2 (28) | ✗ | 8 | 80 | 2 | 0.0 | 0.011 | 0.067 | (1;000) | ✔ | 15/02/17 |
| LiGaO2 | COD | 1526802 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.4861 | 3.487 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ge4PbO9 | COD | 1530751 | C2 (5) | ✗ | 14 | 84 | 3 | 3.188 | 3.292 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2ZnGe | COD | 1528672 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0 | 0.419 | 0.069 | (0;000) | ✔ | 15/02/17 |
| KP(HO2)2 | ICSD | 186817 | C222_1 (20) | ✗ | 16 | 80 | 2 | 6.4968 | 6.643 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H3N | ICSD | 29321 | P2_13 (198) | ✗ | 16 | 32 | 1 | 3.6115 | 3.612 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H6Pt(NO)4 | ICSD | 420292 | C2 (5) | ✗ | 15 | 60 | 1 | 2.1195 | 2.120 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HfSnPd | COD | 1527754 | F-43m (216) | ✗ | 3 | 44 | 3 | 0.3913 | 1.105 | 0.000 | (0;000) | ✔ | 15/02/17 |
| NaTi2HO5 | ICSD | 162109 | P1 (1) | ✗ | 9 | 64 | 2 | 0.0 | 0.029 | 0.322 | (0;000) | ✔ | 15/02/17 |
| LiInMo3O8 | ICSD | 30579 | P3m1 (156) | ✗ | 13 | 106 | 3 | 1.0638 | 1.091 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KNaSO4 | COD | 9007638 | P3m1 (156) | ✗ | 14 | 96 | 1 | 5.0638 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li | ICSD | 109012 | I-43d (220) | ✗ | 8 | 24 | 1 | 0.0 | 0.000 | 0.448 | ? | ✗ | 15/02/17 |
| Mg2SiO4 | ICSD | 189973 | Cmc2_1 (36) | ✗ | 14 | 96 | 3 | 2.3132 | 2.447 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YMnNi4 | ICSD | 643173 | F-43m (216) | ✗ | 6 | 66 | 3 | 0.0 | 0.000 | 0.568 | ? | ✗ | 15/02/17 |
| MnSi | COD | 9013972 | P2_13 (198) | ✗ | 8 | 76 | 3 | 0.0 | 0.000 | 0.662 | ? | ✗ | 15/02/17 |
| Zr3N4 | ICSD | 191584 | I-43d (220) | ✗ | 14 | 64 | 3 | 0.3285 | 0.329 | 0.000 | (0;000) | ✔ | 15/02/17 |
| ZrZnNi4 | COD | 1523279 | F-43m (216) | ✗ | 6 | 56 | 3 | 0.0 | 0.000 | 0.408 | ? | ✗ | 15/02/17 |
| TiNiSn | ICSD | 174568 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.4583 | 1.126 | 0.000 | (0;000) | ✔ | 15/02/17 |
| N2 | COD | 9012482 | P2_13 (198) | ✗ | 4 | 20 | 1 | 0.0 | 0.000 | 0.442 | ? | ✗ | 15/02/17 |
| SiO2 | ICSD | 155250 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.0 | 0.000 | 0.007 | (0;000) | ✔ | 15/02/17 |
| SiO2 | COD | 9006298 | P1 (1) | ✗ | 12 | 64 | 3 | 5.4069 | 5.407 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9012605 | P3_121 (152) | ✗ | 9 | 48 | 3 | 6.1021 | 6.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| VPO5 | ICSD | 415924 | Cc (9) | ✗ | 14 | 96 | 3 | 1.782 | 1.818 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnSiP2 | ICSD | 657290 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.2666 | 1.267 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SO4 | ICSD | 37435 | F-43m (216) | ✗ | 5 | 30 | 1 | 0.0 | 0.000 | 0.598 | ? | ✗ | 15/02/17 |
| Se | COD | 9011650 | P3_121 (152) | ✗ | 3 | 18 | 1 | 0.0 | 0.329 | 0.025 | (0;000) | ✔ | 15/02/17 |
| YPbAu | COD | 1510271 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.000 | 0.105 | (1;000) | ✔ | 15/03/17 |
| Cu2SnHgSe4 | ICSD | 627936 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.003 | 0.004 | (1;000) | ✔ | 15/03/17 |
| Ag2HgO2 | COD | 7109248 | P4_32_12 (96) | ✗ | 20 | 184 | 3 | 0.581 | 0.581 | 0.000 | (0;000) | ✗ | 16/03/17 |
| ZnAg2SnS4 | ICSD | 605734 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.021 | 0.007 | (1;000) | ✔ | 16/03/17 |
| Ag3SbS3 | COD | 9015009 | R3c (161) | ✗ | 14 | 112 | 3 | 0.923 | 1.494 | 0.000 | (0;000) | ✗ | 16/03/17 |
| MgAgAs | COD | 1509198 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.0 | 0.000 | 0.199 | (1;000) | ✔ | 16/03/17 |
| VAg(PSe3)2 | ICSD | 68143 | C2 (5) | ✗ | 10 | 70 | 2 | 0.0 | 0.007 | 0.288 | (1;100) | ✔ | 16/03/17 |
| Ba7Al4Ge9 | ICSD | 417660 | Fmm2 (42) | ✗ | 20 | 118 | 1 | 0.0 | 0.011 | 0.418 | ? | ✗ | 16/03/17 |
| CaAlSi | ICSD | 155193 | P6_3mc (186) | ✗ | 18 | 102 | 1 | 0.0 | 0.000 | 0.959 | ? | ✗ | 16/03/17 |
| AlCu4 | ICSD | 606887 | P2_13 (198) | ✗ | 20 | 188 | 3 | 0.0 | 0.000 | 0.605 | ? | ✗ | 16/03/17 |
| AlPO4 | COD | 9006415 | P6_222 (180) | ✗ | 18 | 96 | 3 | 5.9031 | 5.917 | 0.000 | (0;000) | ✗ | 16/03/17 |
| As2SO6 | COD | 9012888 | P2_12_12 (18) | ✗ | 18 | 104 | 2 | 4.374 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ca2BiAsO6 | ICSD | 91475 | Cmc2_1 (36) | ✗ | 20 | 152 | 1 | 3.0653 | 3.083 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Tl2CuAsO4 | ICSD | 407563 | P2_1 (4) | ✗ | 16 | 132 | 3 | 1.3444 | 1.466 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaAs | ICSD | 182158 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5339 | 0.608 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SrAs | ICSD | 26264 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0 | 0.722 | 0.182 | (0;000) | ✔ | 21/03/17 |
| Cs4Au6S5 | COD | 1510578 | P31m (157) | ✗ | 15 | 132 | 2 | 2.2096 | 2.241 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KAu(IO3)4 | ICSD | 417267 | P1 (1) | ✗ | 18 | 120 | 1 | 2.254 | 2.290 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KTa(BO3)2 | ICSD | 162214 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.6016 | 3.946 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ca2B5H2ClO10 | COD | 2009683 | P1 (1) | ✗ | 20 | 104 | 3 | 5.2078 | 5.348 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2InSbSe5 | ICSD | 425179 | Cmc2_1 (36) | ✗ | 18 | 136 | 1 | 0.7314 | 1.193 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AsF3 | ICSD | 35132 | Pna2_1 (33) | ✗ | 16 | 104 | 1 | 5.4269 | 5.517 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaHgS2 | COD | 4342638 | Pmc2_1 (26) | ✗ | 16 | 136 | 2 | 1.2035 | 1.237 | 0.000 | (0;000) | ✗ | 21/03/17 |