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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NF | COD | 9015107 | P6_3mc (186) | ✗ | 4 | 24 | 1 | 0.0 | 0.001 | 0.065 | (1;000) | ✔ | 15/02/17 |
| GaHO2 | ICSD | 420004 | Pmn2_1 (31) | ✗ | 8 | 52 | 3 | 3.2621 | 3.336 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2GaRh | COD | 1527266 | F-43m (216) | ✗ | 4 | 36 | 3 | 0.0 | 0.035 | 0.703 | ? | ✗ | 15/02/17 |
| Ga | COD | 9012484 | I-43d (220) | ✗ | 6 | 78 | 3 | 0.0 | 0.000 | 0.972 | ? | ✗ | 15/02/17 |
| Ni5Ge3 | ICSD | 77958 | C2 (5) | ✗ | 16 | 124 | 3 | 0.0 | 0.009 | 0.546 | ? | ✗ | 15/02/17 |
| RbGeIO6 | ICSD | 73613 | P312 (149) | ✗ | 9 | 56 | 2 | 3.0426 | 3.244 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2SnGe | ICSD | 636906 | F-43m (216) | ✗ | 4 | 24 | 3 | 0.0 | 0.087 | 0.335 | (0;000) | ✔ | 15/02/17 |
| GePd5 | ICSD | 637537 | C2 (5) | ✗ | 12 | 188 | 3 | 0.0 | 0.006 | 0.556 | ? | ✗ | 15/02/17 |
| KPH2SO3 | ICSD | 75217 | Cm (8) | ✗ | 8 | 40 | 1 | 4.6809 | 4.776 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2SeO3 | ICSD | 427359 | P1 (1) | ✗ | 12 | 52 | 1 | 4.457 | 4.683 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiH3IN | ICSD | 55064 | P2_1 (4) | ✗ | 12 | 36 | 1 | 3.8239 | 3.825 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Mg3Si2H4O9 | COD | 9001639 | P31m (157) | ✗ | 18 | 96 | 2 | 4.6081 | 4.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Mg3Si2(H2O3)3 | COD | 9001778 | P31m (157) | ✗ | 20 | 98 | 2 | 1.899 | 2.582 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Hf3N4 | ICSD | 97997 | I-43d (220) | ✗ | 14 | 112 | 3 | 0.9972 | 0.999 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HfNiSn | COD | 1522918 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.029 | 0.295 | (1;000) | ✔ | 15/02/17 |
| HfSn | COD | 2310242 | P2_13 (198) | ✗ | 8 | 104 | 3 | 0.0 | 0.000 | 0.464 | ? | ✗ | 15/02/17 |
| LiHS | COD | 1532755 | Pmc2_1 (26) | ✗ | 12 | 40 | 1 | 3.5171 | 3.517 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KNiIO6 | ICSD | 60313 | P312 (149) | ✗ | 9 | 62 | 3 | 0.9095 | 0.930 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2InRh | ICSD | 107087 | F-43m (216) | ✗ | 4 | 36 | 3 | 0.0 | 0.003 | 0.702 | ? | ✗ | 15/02/17 |
| Si3Ir | ICSD | 26218 | P6_3mc (186) | ✗ | 8 | 58 | 3 | 0.0 | 0.000 | 0.767 | ? | ✗ | 15/02/17 |
| KLiSO4 | ICSD | 62981 | P31c (159) | ✗ | 14 | 84 | 1 | 5.5618 | 5.562 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li3PO4 | COD | 9012500 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 6.1067 | 6.197 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li7TaO6 | ICSD | 74950 | R3 (146) | ✗ | 14 | 70 | 2 | 4.6455 | 4.809 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiZnN | COD | 1528616 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.6469 | 0.647 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiZnP | ICSD | 642242 | F-43m (216) | ✗ | 3 | 20 | 3 | 1.347 | 1.406 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MgSiP2 | ICSD | 642734 | I-42d (122) | ✗ | 8 | 48 | 3 | 0.6848 | 0.746 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MnSiN2 | COD | 1531000 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.001 | 0.438 | ? | ✗ | 15/02/17 |
| MnSbPt | ICSD | 57421 | F-43m (216) | ✗ | 3 | 30 | 3 | 0.0 | 0.000 | 0.740 | ? | ✗ | 15/02/17 |
| MnSe | COD | 9008872 | P6_3mc (186) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.726 | ? | ✗ | 15/02/17 |
| MnTe | COD | 9008873 | P6_3mc (186) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.743 | ? | ✗ | 15/02/17 |
| Si3N4 | COD | 1524456 | P6_3 (173) | ✗ | 14 | 64 | 3 | 1.4143 | 1.914 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NbSbRu | ICSD | 83929 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.3146 | 1.279 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Ni3Se2 | COD | 9009243 | R32 (155) | ✗ | 5 | 42 | 3 | 0.0 | 0.002 | 0.603 | ? | ✗ | 15/02/17 |
| NiP | ICSD | 188064 | Cmc2_1 (36) | ✗ | 12 | 90 | 3 | 0.0 | 0.000 | 0.451 | ? | ✗ | 15/02/17 |
| YNiSb | COD | 1523479 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.3035 | 1.161 | 0.000 | (0;000) | ✔ | 15/02/17 |
| ZrNiSn | COD | 1523923 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.560 | 0.110 | (0;000) | ✔ | 15/02/17 |
| Na | ICSD | 159431 | I-43d (220) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.516 | ? | ✗ | 15/02/17 |
| SeO2 | ICSD | 99464 | Pmc2_1 (26) | ✗ | 12 | 72 | 2 | 3.521 | 3.788 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | ICSD | 155249 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.2786 | 2.921 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006293 | P1 (1) | ✗ | 12 | 64 | 3 | 5.6723 | 5.719 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006297 | P1 (1) | ✗ | 12 | 64 | 3 | 5.0781 | 5.078 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006301 | I2_12_12_1 (24) | ✗ | 12 | 64 | 3 | 5.4633 | 5.532 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006307 | P1 (1) | ✗ | 12 | 64 | 3 | 0.856 | 0.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
| VSbO4 | COD | 2101705 | I4_1md (109) | ✗ | 12 | 84 | 3 | 0.0 | 0.004 | 1.000 | ? | ✗ | 15/02/17 |
| P2O5 | ICSD | 77377 | Fdd2 (43) | ✗ | 14 | 80 | 3 | 5.886 | 5.886 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbTl(SO4)2 | ICSD | 21087 | R32 (155) | ✗ | 12 | 82 | 2 | 2.2618 | 2.284 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SnO | COD | 1101035 | Cmc2_1 (36) | ✗ | 8 | 80 | 2 | 0.0 | 0.009 | 0.349 | (1;011) | ✔ | 15/02/17 |
| PRhSe | ICSD | 648002 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0753 | 1.349 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TiSnPt | COD | 1522660 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.7164 | 1.396 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiS2 | COD | 9015451 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.5581 | 1.581 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TaSe2 | ICSD | 24318 | R3m (160) | ✗ | 6 | 50 | 1 | 0.0 | 0.012 | 0.796 | ? | ✗ | 15/02/17 |
| ZnS | COD | 9013409 | P6_3mc (186) | ✗ | 8 | 72 | 3 | 2.1423 | 2.142 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Te | COD | 1011098 | P3_121 (152) | ✗ | 3 | 18 | 3 | 0.0 | 0.000 | 0.016 | (0;000) | ✔ | 15/02/17 |
| Sc2C3 | ICSD | 77396 | I-43d (220) | ✗ | 20 | 136 | 3 | 0.0 | 0.005 | 0.276 | (0;000) | ✔ | 15/03/17 |
| SiC | COD | 9000028 | R3m (160) | ✗ | 14 | 56 | 3 | 1.6226 | 2.836 | 0.000 | (0;000) | ✗ | 15/03/17 |
| Cs2Zr(AgTe2)2 | ICSD | 80195 | C222 (21) | ✗ | 9 | 68 | 2 | 1.2649 | 1.606 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag2HgSI2 | ICSD | 413300 | Cmc2_1 (36) | ✗ | 12 | 108 | 3 | 1.0911 | 1.122 | 0.000 | (0;000) | ✗ | 16/03/17 |
| KAg2SbS4 | ICSD | 82143 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.2812 | 1.172 | 0.000 | (0;000) | ✔ | 16/03/17 |
| ZnSi(AgS2)2 | ICSD | 183705 | Pc (7) | ✗ | 16 | 124 | 3 | 1.766 | 1.864 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag3SeNO3 | ICSD | 108857 | R3c (161) | ✗ | 16 | 124 | 3 | 0.6914 | 0.728 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag3PS4 | COD | 1510028 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.1228 | 1.123 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag7NO6 | COD | 1509961 | F-43m (216) | ✗ | 14 | 118 | 3 | 0.0 | 0.000 | 0.580 | ? | ✗ | 16/03/17 |
| AgHgAsS3 | COD | 9000870 | Cc (9) | ✗ | 12 | 92 | 3 | 1.2735 | 1.278 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgI | COD | 2105342 | P6_3mc (186) | ✗ | 8 | 72 | 2 | 0.7513 | 0.751 | 0.000 | (0;000) | ✗ | 16/03/17 |
| VAgO3 | ICSD | 82079 | Cm (8) | ✗ | 20 | 168 | 3 | 1.4813 | 1.493 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Cs2Al2As2O7 | ICSD | 154363 | Imm2 (44) | ✗ | 13 | 76 | 3 | 3.6661 | 3.726 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ca2Al2O5 | COD | 9002389 | Ima2 (46) | ✗ | 18 | 112 | 3 | 3.8003 | 3.800 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlAu4 | COD | 1523317 | P2_13 (198) | ✗ | 20 | 188 | 3 | 0.0 | 0.000 | 0.569 | ? | ✗ | 16/03/17 |
| Ca2MnAlO5 | ICSD | 95986 | Ima2 (46) | ✗ | 18 | 136 | 3 | 0.0 | 0.015 | 0.765 | ? | ✗ | 16/03/17 |
| AlSeCl7 | ICSD | 9064 | P1 (1) | ✗ | 18 | 116 | 1 | 2.7884 | 2.790 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CsAlF4 | COD | 7221224 | P-62m (189) | ✗ | 18 | 120 | 1 | 7.242 | 7.254 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlPO4 | ICSD | 66997 | P6_422 (181) | ✗ | 18 | 96 | 1 | 0.0 | 0.001 | 0.845 | ? | ✗ | 16/03/17 |
| CdSnAs2 | ICSD | 22182 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.012 | (1;000) | ✔ | 16/03/17 |
| As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
| MgAs4 | COD | 2106317 | P4_12_12 (92) | ✗ | 20 | 120 | 3 | 0.836 | 0.848 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs3As5O9 | ICSD | 413151 | P31m (157) | ✗ | 17 | 106 | 1 | 3.3799 | 3.469 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaAs | ICSD | 26263 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0 | 0.834 | 0.359 | (0;000) | ✔ | 21/03/17 |
| KCu4AsS4 | ICSD | 75430 | P2_1 (4) | ✗ | 20 | 164 | 3 | 1.3981 | 1.462 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KAsO3 | COD | 4511752 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.9695 | 3.970 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Rb2LiAsO4 | ICSD | 36644 | Cmc2_1 (36) | ✗ | 16 | 100 | 1 | 3.9754 | 4.015 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AsPd3 | ICSD | 611189 | I-4 (82) | ✗ | 16 | 236 | 3 | 0.0 | 0.022 | 0.832 | ? | ✗ | 21/03/17 |
| AsS | COD | 4343657 | Cmc2_1 (36) | ✗ | 12 | 66 | 1 | 0.0 | 0.000 | 0.732 | ? | ✗ | 21/03/17 |
| LiSn4Au3 | COD | 7209416 | P6_3mc (186) | ✗ | 16 | 184 | 3 | 0.0 | 0.003 | 0.825 | ? | ✗ | 21/03/17 |
| K(SnAu2)2 | COD | 7209420 | I-4c2 (120) | ✗ | 14 | 162 | 3 | 0.0 | 0.011 | 0.694 | ? | ✗ | 21/03/17 |
| Cu3SnAu | ICSD | 611766 | P2_13 (198) | ✗ | 20 | 232 | 3 | 0.0 | 0.004 | 0.508 | ? | ✗ | 21/03/17 |
| V3GaAu | ICSD | 611902 | P2_13 (198) | ✗ | 20 | 252 | 3 | 0.0 | 0.000 | 0.578 | ? | ✗ | 21/03/17 |
| CsNb(BO3)2 | COD | 2003948 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.5447 | 3.717 | 0.000 | (0;000) | ✗ | 21/03/17 |
| K3Ta3(BO6)2 | ICSD | 201143 | P-62m (189) | ✗ | 20 | 144 | 3 | 2.8089 | 2.897 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Re7B3 | ICSD | 615236 | P6_3mc (186) | ✗ | 20 | 228 | 3 | 0.0 | 0.000 | 0.785 | ? | ✗ | 21/03/17 |
| Tc7B3 | ICSD | 615554 | P6_3mc (186) | ✗ | 20 | 228 | 3 | 0.0 | 0.001 | 1.000 | ? | ✗ | 21/03/17 |
| Ba2InBiS5 | ICSD | 261678 | Cmc2_1 (36) | ✗ | 18 | 156 | 1 | 1.1882 | 1.538 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2In2O5 | COD | 1521023 | Ima2 (46) | ✗ | 18 | 152 | 3 | 1.0151 | 1.015 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2S3 | ICSD | 70058 | I4_1md (109) | ✗ | 10 | 76 | 1 | 0.7201 | 0.736 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba4Bi3 | ICSD | 96943 | I-43d (220) | ✗ | 14 | 170 | 1 | 0.0 | 0.000 | 0.721 | ? | ✗ | 21/03/17 |
| BaFeCuF7 | COD | 1000216 | Cc (9) | ✗ | 20 | 156 | 3 | 0.0 | 0.009 | 0.016 | (0;000) | ✔ | 21/03/17 |
| BaSn2(HO2)2 | ICSD | 37115 | P2_1 (4) | ✗ | 18 | 128 | 1 | 1.9107 | 2.108 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaNiSn3 | ICSD | 58662 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.004 | 0.383 | (0;110) | ✔ | 21/03/17 |
| BaPPt | ICSD | 59191 | P2_13 (198) | ✗ | 12 | 100 | 3 | 0.0 | 0.000 | 0.430 | ? | ✗ | 21/03/17 |
| BeCl2 | COD | 4124124 | I-43m (217) | ✗ | 18 | 108 | 1 | 0.0 | 0.000 | 0.583 | ? | ✗ | 21/03/17 |