| ▹ 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 |