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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PHF2 | ICSD | 406360 | P2_12_12_1 (19) | ✗ | 16 | 80 | 1 | 3.7561 | 3.781 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cu3SbS4 | ICSD | 42672 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5599 | 0.560 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cu2SnHgS4 | ICSD | 627929 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0081 | 0.008 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Cs2In3 | COD | 1525490 | I-4m2 (119) | ✗ | 10 | 114 | 2 | 0.0 | 0.112 | 0.037 | (0;000) | ✔ | 22/03/17 |
| K3MnCrO8 | ICSD | 26803 | R3m (160) | ✗ | 13 | 104 | 1 | 0.6011 | 0.635 | 0.000 | (0;000) | ✗ | 22/03/17 |
| RbCN5O2 | COD | 7004730 | Cc (9) | ✗ | 18 | 100 | 1 | 2.8893 | 2.908 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PICl6 | ICSD | 26594 | P-42_1m (113) | ✗ | 16 | 108 | 1 | 0.9841 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
| HCI3 | COD | 5900001 | P6_3 (173) | ✗ | 10 | 52 | 1 | 1.6658 | 1.794 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2CdSnSe4 | ICSD | 185468 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.761 | 1.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdCu2SnTe4 | ICSD | 656157 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0068 | 0.021 | 0.000 | (1;000) | ✔ | 22/03/17 |
| Al4CN3O | COD | 8100308 | Cmc2_1 (36) | ✗ | 18 | 74 | 3 | 0.0 | 0.000 | 0.704 | ? | ✗ | 21/03/17 |
| ZnCdC4(SN)4 | COD | 2008877 | I-4 (82) | ✗ | 14 | 84 | 3 | 3.5689 | 3.620 | 0.000 | (0;000) | ✗ | 21/03/17 |
| H5C2N2Cl | COD | 7203167 | P2_1 (4) | ✗ | 20 | 60 | 1 | 4.3968 | 4.400 | 0.000 | (0;000) | ✗ | 21/03/17 |
| MoSBr | ICSD | 163308 | F-43m (216) | ✗ | 12 | 108 | 3 | 0.7669 | 0.770 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BiPdSe | ICSD | 616956 | P2_13 (198) | ✗ | 12 | 156 | 3 | 0.0 | 0.000 | 0.613 | ? | ✗ | 21/03/17 |
| GeBi2O5 | COD | 1526265 | Cmc2_1 (36) | ✗ | 16 | 128 | 3 | 2.4247 | 2.535 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaSiO3 | ICSD | 6245 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 4.7894 | 4.910 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba3CrS5 | COD | 1533192 | P6_3cm (185) | ✗ | 18 | 148 | 1 | 0.0 | 0.000 | 0.838 | ? | ✗ | 21/03/17 |
| B3Ru7 | COD | 1510953 | P6_3mc (186) | ✗ | 20 | 242 | 3 | 0.0 | 0.000 | 0.771 | ? | ✗ | 21/03/17 |
| Sr7Au3 | COD | 1510514 | P6_3mc (186) | ✗ | 20 | 206 | 1 | 0.0 | 0.000 | 0.862 | ? | ✗ | 21/03/17 |
| BaCl2 | ICSD | 2190 | P-62m (189) | ✗ | 9 | 72 | 1 | 4.5187 | 4.519 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cd2BiAsO6 | ICSD | 154151 | Cmc2_1 (36) | ✗ | 20 | 160 | 3 | 2.4619 | 2.493 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZrAlPt | ICSD | 156266 | P-62c (190) | ✗ | 18 | 102 | 3 | 0.0 | 0.000 | 0.608 | ? | ✗ | 16/03/17 |
| AlCuCl4 | ICSD | 35050 | P-42c (112) | ✗ | 12 | 84 | 3 | 2.5564 | 2.657 | 0.000 | (0;000) | ✗ | 16/03/17 |
| YAgSe2 | ICSD | 605836 | P2_12_12_1 (19) | ✗ | 16 | 136 | 3 | 1.2636 | 1.264 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag5SbS4 | COD | 9013429 | Cmc2_1 (36) | ✗ | 20 | 168 | 3 | 0.6855 | 0.723 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag2O3 | COD | 1509692 | Fdd2 (43) | ✗ | 10 | 80 | 3 | 0.4982 | 0.687 | 0.000 | (0;000) | ✔ | 16/03/17 |
| Be | COD | 9013111 | P2_12_12 (18) | ✗ | 4 | 16 | 1 | 0.0 | 0.006 | 0.146 | (0;000) | ✔ | 15/03/17 |
| VSbRu | ICSD | 107124 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.1798 | 0.946 | 0.000 | (0;000) | ✔ | 15/02/17 |
| TaTl(PO4)2 | ICSD | 190109 | P321 (150) | ✗ | 12 | 84 | 1 | 0.0 | 0.000 | 0.511 | ? | ✗ | 15/02/17 |
| SiO2 | COD | 9006303 | P1 (1) | ✗ | 12 | 64 | 3 | 4.5774 | 4.577 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TaN | COD | 9008876 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.000 | 0.460 | ? | ✗ | 15/02/17 |
| ScNiSb | ICSD | 40296 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.2739 | 1.290 | 0.000 | (0;000) | ✔ | 15/02/17 |
| MoPO5 | COD | 4000897 | Cc (9) | ✗ | 14 | 98 | 3 | 0.0 | 0.000 | 0.629 | ? | ✗ | 15/02/17 |
| Mn2SnRu | ICSD | 182829 | F-43m (216) | ✗ | 4 | 60 | 3 | 0.0 | 0.004 | 0.772 | ? | ✗ | 15/02/17 |
| Li2MnSiO4 | ICSD | 161305 | Pmn2_1 (31) | ✗ | 16 | 98 | 2 | 0.0 | 0.000 | 0.795 | ? | ✗ | 15/02/17 |
| YHSe | ICSD | 72008 | P-6m2 (187) | ✗ | 3 | 18 | 3 | 1.4698 | 1.846 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaLi3(H2N)4 | ICSD | 201148 | I-4 (82) | ✗ | 16 | 46 | 1 | 3.1757 | 3.289 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2O | COD | 1011063 | C222_1 (20) | ✗ | 12 | 32 | 3 | 3.802 | 4.116 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiInGe | ICSD | 53650 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.0 | 0.000 | 0.042 | (1;000) | ✔ | 15/02/17 |
| Fe3C | ICSD | 42542 | P6_322 (182) | ✗ | 8 | 56 | 3 | 0.0 | 0.000 | 0.433 | ? | ✗ | 15/02/17 |
| ScFeO3 | COD | 4122825 | R3c (161) | ✗ | 10 | 74 | 3 | 0.0 | 0.001 | 0.459 | ? | ✗ | 15/02/17 |
| ScF3 | COD | 1010451 | R32 (155) | ✗ | 4 | 32 | 3 | 1.8554 | 1.935 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiC | ICSD | 24630 | P6_3mc (186) | ✗ | 16 | 64 | 3 | 1.78 | 2.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| FeCu2GeSe4 | ICSD | 627313 | I-42m (121) | ✗ | 8 | 58 | 3 | 0.0 | 0.007 | 0.513 | ? | ✗ | 15/02/17 |
| Mn2CoSb | ICSD | 160709 | F-43m (216) | ✗ | 4 | 52 | 3 | 0.0 | 0.010 | 0.281 | (0;000) | ✔ | 15/02/17 |
| NClO4 | COD | 9015836 | F-43m (216) | ✗ | 6 | 36 | 1 | 0.0 | 0.003 | 0.207 | (0;000) | ✔ | 15/02/17 |
| H4CN2O | COD | 1008785 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1508 | 5.151 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2CdGeO4 | ICSD | 20031 | Pmn2_1 (31) | ✗ | 16 | 92 | 3 | 2.3043 | 2.548 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaZnSO | ICSD | 245309 | P6_3mc (186) | ✗ | 8 | 68 | 1 | 2.7339 | 2.734 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsCa(NO2)3 | ICSD | 56433 | R3 (146) | ✗ | 11 | 70 | 1 | 2.7053 | 2.770 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BN | ICSD | 20946 | Fmm2 (42) | ✗ | 2 | 8 | 3 | 0.0 | 1.907 | 0.333 | (0;000) | ✔ | 15/02/17 |
| RbBH4 | COD | 4315655 | I-42m (121) | ✗ | 12 | 32 | 1 | 5.4855 | 5.531 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH5NCl | ICSD | 248875 | Cmc2_1 (36) | ✗ | 16 | 40 | 1 | 6.0688 | 6.228 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba2TlCuHgO5 | ICSD | 86200 | I4mm (107) | ✗ | 10 | 86 | 3 | 0.0 | 0.000 | 0.592 | ? | ✗ | 15/02/17 |
| BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiGaAs2O7 | ICSD | 161500 | C2 (5) | ✗ | 11 | 68 | 3 | 3.2297 | 3.364 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaAlBO3F2 | ICSD | 421141 | P-62c (190) | ✗ | 16 | 96 | 2 | 6.3966 | 6.552 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2AgSb | COD | 1509445 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0583 | 0.058 | 0.000 | (0;000) | ✔ | 15/02/17 |
| CdAgSb | COD | 1509176 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.392 | (0;000) | ✔ | 15/02/17 |
| Zr2Al3 | ICSD | 58232 | Fdd2 (43) | ✗ | 10 | 34 | 3 | 0.0 | 0.000 | 0.819 | ? | ✗ | 15/02/17 |
| LiAlTe2 | COD | 4321120 | P3m1 (156) | ✗ | 4 | 18 | 1 | 0.0 | 0.021 | 0.162 | (0;000) | ✔ | 15/02/17 |
| LiCdAs | ICSD | 609966 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.0 | 0.000 | 0.270 | (1;011) | ✔ | 15/02/17 |
| ScNi4Au | ICSD | 612227 | F-43m (216) | ✗ | 6 | 62 | 3 | 0.0 | 0.004 | 0.942 | ? | ✗ | 15/02/17 |
| BaGaH5 | ICSD | 240693 | P2_1 (4) | ✗ | 14 | 56 | 1 | 3.2526 | 3.526 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KLiBeF4 | ICSD | 2939 | P6_3 (173) | ✗ | 14 | 88 | 1 | 6.9444 | 7.012 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | COD | 4116439 | Pmn2_1 (31) | ✗ | 16 | 28 | 1 | 5.5448 | 5.545 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YH3(CO2)3 | ICSD | 109739 | R3m (160) | ✗ | 13 | 62 | 3 | 4.1092 | 4.109 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ScAlCO | ICSD | 426425 | P6_3mc (186) | ✗ | 8 | 48 | 3 | 1.205 | 2.325 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdCu2SnS4 | ICSD | 619774 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.2835 | 0.284 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Fe4C | ICSD | 44729 | P-43m (215) | ✗ | 5 | 36 | 3 | 0.0 | 0.000 | 0.826 | ? | ✗ | 15/02/17 |
| H4NClO2 | COD | 2205376 | P-42_1m (113) | ✗ | 16 | 56 | 1 | 2.8507 | 2.901 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CoCuP2O7 | ICSD | 75379 | P1 (1) | ✗ | 11 | 80 | 3 | 0.0 | 0.032 | 0.545 | ? | ✗ | 15/02/17 |
| CrGe | ICSD | 626099 | P2_13 (198) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.680 | ? | ✗ | 15/02/17 |
| FeCu2SnSe4 | ICSD | 169839 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.004 | 0.448 | ? | ✗ | 15/02/17 |
| ZrCu | ICSD | 167598 | Cm (8) | ✗ | 8 | 60 | 3 | 0.0 | 0.005 | 0.600 | ? | ✗ | 15/02/17 |
| Fe3O4 | ICSD | 65338 | F-43m (216) | ✗ | 14 | 96 | 3 | 0.0 | 0.000 | 0.592 | ? | ✗ | 15/02/17 |
| H4NF | COD | 2106401 | P6_3mc (186) | ✗ | 12 | 32 | 1 | 5.8885 | 5.974 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MnGaPt | ICSD | 108482 | F-43m (216) | ✗ | 3 | 38 | 3 | 0.0 | 0.000 | 0.968 | ? | ✗ | 15/02/17 |
| ZnGeN2 | COD | 1528213 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 1.8898 | 1.890 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sr2H3NO6 | ICSD | 415799 | P-62m (189) | ✗ | 12 | 64 | 1 | 3.355 | 3.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HfNiSn | ICSD | 638731 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.605 | 0.124 | (0;000) | ✔ | 15/02/17 |
| LiTlPHO3 | ICSD | 201040 | C2 (5) | ✗ | 14 | 80 | 1 | 3.4505 | 3.514 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiZnPS4 | ICSD | 95785 | I-4 (82) | ✗ | 7 | 44 | 3 | 2.7265 | 3.156 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ReSi | ICSD | 26616 | P2_13 (198) | ✗ | 8 | 76 | 3 | 0.0 | 0.000 | 0.672 | ? | ✗ | 15/02/17 |
| Ni3S2 | COD | 9000564 | R32 (155) | ✗ | 5 | 42 | 3 | 0.0 | 0.001 | 0.545 | ? | ✗ | 15/02/17 |
| ZrNiSn | ICSD | 646828 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.040 | 0.309 | (1;000) | ✔ | 15/02/17 |
| SiO2 | COD | 9006295 | C2 (5) | ✗ | 12 | 64 | 3 | 5.6133 | 5.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZrO2 | COD | 9009919 | Pca2_1 (29) | ✗ | 12 | 64 | 3 | 3.5103 | 3.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ScSbPd | ICSD | 415944 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.2377 | 1.162 | 0.000 | (0;000) | ✔ | 15/02/17 |
| ZrSb | ICSD | 107692 | P2_13 (198) | ✗ | 8 | 36 | 3 | 0.0 | 0.000 | 0.726 | ? | ✗ | 15/02/17 |
| CdAg2GeS4 | ICSD | 152753 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5754 | 0.575 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag3AsSe3 | COD | 8103405 | R3c (161) | ✗ | 14 | 112 | 3 | 0.7517 | 1.200 | 0.000 | (0;000) | ✗ | 16/03/17 |
| GaFe2AgTe4 | ICSD | 192470 | I-42m (121) | ✗ | 8 | 64 | 3 | 0.0 | 0.003 | 0.538 | ? | ✗ | 16/03/17 |
| BaAl2Sb2O7 | ICSD | 154362 | R32 (155) | ✗ | 12 | 68 | 2 | 3.3911 | 3.600 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlSCl7 | ICSD | 35685 | Pc (7) | ✗ | 18 | 116 | 1 | 2.8088 | 2.809 | 0.000 | (0;000) | ✗ | 16/03/17 |
| V4As2O13 | ICSD | 60781 | P1 (1) | ✗ | 19 | 140 | 3 | 0.0 | 0.012 | 0.656 | ? | ✗ | 21/03/17 |
| AsCl3 | COD | 4317526 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 3.8861 | 4.275 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KAs | COD | 8100816 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.7419 | 0.743 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaZr(BO3)2 | ICSD | 95527 | R3c (161) | ✗ | 20 | 112 | 2 | 4.0582 | 4.058 | 0.000 | (0;000) | ✗ | 21/03/17 |