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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| KIO4 | ICSD | 26964 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 0.0835 | 0.084 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3(AlP2)2 | ICSD | 423780 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.257 | 1.257 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ag3SI | COD | 1510010 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.5828 | 0.818 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2P2Pd | COD | 7221367 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.4933 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PtI2 | ICSD | 60760 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 1.0407 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4P2O | ICSD | 33906 | Cmce (64) | ✔ | 14 | 112 | 1 | 0.8159 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAuF4 | COD | 1510138 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 2.2533 | 2.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KSn2Br5 | ICSD | 151983 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.2057 | 2.378 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiClO2 | COD | 2014617 | P4_2/ncm (138) | ✔ | 16 | 88 | 1 | 2.6354 | 2.635 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc2ZnS4 | ICSD | 650852 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.5497 | 0.550 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAuI3 | COD | 2206809 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.64 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaYCuTe3 | ICSD | 88716 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.2644 | 0.632 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3BAs2 | ICSD | 402082 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.3651 | 1.757 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KCBr(NO2)2 | ICSD | 42826 | P-1 (2) | ✔ | 18 | 108 | 1 | 1.9756 | 2.042 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaPdF4 | ICSD | 108991 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.5233 | 1.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GePdS3 | ICSD | 408505 | C2/m (12) | ✔ | 10 | 80 | 1 | 1.1255 | 1.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbClF8 | COD | 1533112 | P-1 (2) | ✔ | 20 | 136 | 1 | 3.0697 | 3.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2Al2Se5 | ICSD | 41928 | P-3m1 (164) | ✔ | 9 | 56 | 2 | 0.7242 | 0.724 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsPbBr3 | COD | 4510745 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.6539 | 0.654 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ti(NCl)3 | COD | 1528192 | P-1 (2) | ✔ | 14 | 96 | 1 | 2.4342 | 2.479 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSO3 | ICSD | 62640 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 3.5968 | 3.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGeO3 | COD | 9000904 | Pnma (62) | ✔ | 20 | 128 | 3 | 2.1712 | 2.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3InCl6 | ICSD | 154092 | P-31c (163) | ✔ | 20 | 164 | 1 | 4.0782 | 4.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlAgI2 | COD | 1509391 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 1.1422 | 1.142 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba4Sb2O | ICSD | 402284 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.2284 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3Ta2CdO9 | ICSD | 156335 | P-3m1 (164) | ✔ | 15 | 122 | 3 | 3.2317 | 3.496 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlBi2Cl7 | ICSD | 421318 | P-1 (2) | ✔ | 20 | 184 | 3 | 2.7397 | 2.804 | 0.000 | (0;000) | ✗ | 02/02/17 |
| V4Ag2O11 | COD | 1509687 | C2/m (12) | ✔ | 17 | 140 | 3 | 0.6709 | 0.911 | 0.000 | (0;000) | ✗ | 30/01/17 |
| PbI2 | COD | 9009143 | R-3m (166) | ✔ | 6 | 56 | 2 | 1.4443 | 1.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiAuS | COD | 4319429 | Fddd (70) | ✔ | 12 | 80 | 3 | 1.05 | 1.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2ZrSe3 | COD | 8101657 | Cmcm (63) | ✔ | 12 | 80 | 1 | 1.2811 | 1.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrTaF7 | ICSD | 417254 | P2_1/m (11) | ✔ | 18 | 144 | 1 | 5.7736 | 5.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SnAs2 | COD | 1008524 | Ibam (72) | ✔ | 10 | 84 | 1 | 1.0186 | 1.361 | 0.000 | (0;000) | ✗ | 30/01/17 |
| As(BrF2)3 | ICSD | 33811 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.7771 | 1.828 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr3BPO3 | ICSD | 401207 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 2.106 | 2.352 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlPd3O4 | ICSD | 2275 | Fm-3m (225) | ✔ | 16 | 182 | 3 | 0.9298 | 0.930 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4Li(SbO4)3 | ICSD | 202200 | Im-3m (229) | ✔ | 20 | 130 | 3 | 2.0478 | 2.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsMgBr3 | ICSD | 87260 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 4.2366 | 4.237 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2Y4Cu4Se9 | ICSD | 174375 | C2/m (12) | ✔ | 19 | 160 | 3 | 0.6382 | 0.850 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb(ClO2)2 | ICSD | 68484 | Ccce (68) | ✔ | 14 | 104 | 2 | 0.953 | 1.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAgCl2 | COD | 1509264 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.3293 | 2.738 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba2SiSe4 | ICSD | 49750 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.3537 | 2.365 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KRb2ScF6 | ICSD | 81679 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 6.7988 | 6.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3CO3F | ICSD | 66028 | R-3c (167) | ✔ | 16 | 112 | 1 | 3.9679 | 3.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaCl2 | ICSD | 56769 | Pbcn (60) | ✔ | 12 | 96 | 1 | 5.5921 | 5.702 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KFeCl3 | COD | 1524477 | Pnma (62) | ✔ | 20 | 152 | 1 | 0.3958 | 0.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li5Cl3O | ICSD | 419852 | I4/mcm (140) | ✔ | 18 | 84 | 1 | 3.9676 | 4.045 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCuO | COD | 1527532 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3663 | 1.415 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAlTe2 | ICSD | 44703 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 1.5093 | 1.811 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na6S2O9 | ICSD | 411442 | Fm-3m (225) | ✔ | 17 | 120 | 1 | 3.2299 | 3.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeOF4 | ICSD | 412955 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.1391 | 5.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaNb2V2O11 | ICSD | 165097 | R-3m (166) | ✔ | 16 | 128 | 2 | 2.2681 | 2.270 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsI3 | COD | 9008098 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9735 | 2.033 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ca3VN3 | COD | 1005013 | Cmcm (63) | ✔ | 14 | 116 | 1 | 0.6765 | 0.984 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2P2Pd | ICSD | 15584 | Cmcm (63) | ✔ | 10 | 92 | 1 | 1.0553 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrP3 | ICSD | 23628 | C2/m (12) | ✔ | 16 | 100 | 1 | 0.3599 | 0.360 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaScCuS3 | ICSD | 659165 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.9651 | 1.125 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TaAgS4 | ICSD | 84294 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5212 | 2.523 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Rb2PdBr6 | COD | 1010637 | Fm-3m (225) | ✔ | 9 | 78 | 2 | 0.0222 | 0.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaPb2BrF5 | ICSD | 411087 | P4/nmm (129) | ✔ | 18 | 160 | 1 | 2.9629 | 3.107 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TiS3 | ICSD | 72377 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.1523 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2NbAgSe4 | ICSD | 402423 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.7861 | 1.855 | 0.000 | (0;000) | ✗ | 30/01/17 |
| MgSiO3 | COD | 2105685 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.4588 | 4.459 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BH2CO | ICSD | 9561 | C2/c (15) | ✔ | 20 | 60 | 1 | 1.1303 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaZrS3 | ICSD | 616104 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.796 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2PdCl4 | COD | 1521908 | P4/mmm (123) | ✔ | 7 | 72 | 1 | 1.0199 | 1.472 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2SbAu | COD | 7209394 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.1268 | 0.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CF2 | ICSD | 151184 | P-1 (2) | ✔ | 18 | 108 | 1 | 5.2396 | 5.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ClF3 | COD | 1529706 | Pnma (62) | ✔ | 16 | 112 | 1 | 2.7457 | 2.765 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2GeSe3 | ICSD | 35043 | P-1 (2) | ✔ | 12 | 96 | 2 | 1.0351 | 1.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAgCl2 | ICSD | 150300 | P4/nmm (129) | ✔ | 8 | 68 | 2 | 2.2043 | 2.501 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SrCaSn | COD | 1528699 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2503 | 0.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
| FeSn2(CN)6 | ICSD | 51494 | P-3 (147) | ✔ | 15 | 90 | 3 | 3.3964 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAuSe3 | COD | 1510105 | C2/c (15) | ✔ | 10 | 76 | 2 | 1.1162 | 1.357 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaAs | ICSD | 182159 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.8758 | 0.946 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdPd(CN)6 | ICSD | 6093 | Fm-3m (225) | ✔ | 14 | 84 | 3 | 3.5232 | 3.633 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbCl(OF3)2 | COD | 4305990 | P2/c (13) | ✔ | 20 | 132 | 1 | 2.0676 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 419757 | R-3 (148) | ✔ | 18 | 96 | 3 | 5.7691 | 5.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(AuO2)2 | COD | 1510361 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.4882 | 1.531 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdBiSe2Br | ICSD | 171726 | Pnma (62) | ✔ | 20 | 184 | 3 | 1.0754 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbCl3O | ICSD | 26471 | P4_2/mnm (136) | ✔ | 20 | 160 | 2 | 2.3999 | 2.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb2O3 | ICSD | 23760 | P2_1/c (14) | ✔ | 20 | 184 | 3 | 1.3282 | 1.397 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSi | ICSD | 174082 | C2/c (15) | ✔ | 16 | 104 | 1 | 1.0045 | 1.393 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2GeSe4 | ICSD | 414166 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 1.4911 | 1.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsIn5S8 | ICSD | 40878 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.466 | 1.558 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaCuSe2 | ICSD | 42097 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1417 | 0.142 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Tl2Cu2SnS4 | COD | 4000522 | Ibam (72) | ✔ | 18 | 172 | 2 | 0.3271 | 0.656 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGaAs2O7 | ICSD | 161500 | C2 (5) | ✗ | 11 | 68 | 3 | 3.2297 | 3.364 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSnO3 | ICSD | 165167 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.0793 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2PdO6 | COD | 1530535 | Pmna (53) | ✔ | 18 | 128 | 3 | 1.8132 | 1.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScSnAu | COD | 1510293 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0242 | 1.262 | 0.000 | (0;000) | ✔ | 15/02/17 |
| K2S | ICSD | 27461 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.076 | 1.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaSi6N8O | ICSD | 415272 | Imm2 (44) | ✗ | 16 | 80 | 3 | 4.3246 | 4.411 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | ICSD | 237078 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 5.397 | 5.563 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CuTe2I | ICSD | 67253 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.801 | 0.840 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaN | COD | 9008868 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.9472 | 1.947 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2Zr(AgTe2)2 | ICSD | 80195 | C222 (21) | ✗ | 9 | 68 | 2 | 1.2649 | 1.606 | 0.000 | (0;000) | ✗ | 16/03/17 |