| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CaSnO3 | COD | 9015651 | Pnma (62) | ✔ | 20 | 168 | 3 | 2.7125 | 2.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSr4(BN2)3 | ICSD | 92577 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.009 | 2.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(GaS2)2 | ICSD | 619292 | Cccm (66) | ✔ | 14 | 120 | 1 | 2.6848 | 2.831 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2MgWO6 | ICSD | 152572 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 2.7544 | 2.831 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr2SiS4 | ICSD | 650888 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.6715 | 2.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2W4O13 | ICSD | 6141 | P-1 (2) | ✔ | 19 | 208 | 3 | 2.5331 | 2.834 | 0.000 | (0;000) | ✗ | 11/04/17 |
| HPbBrO | ICSD | 404573 | Pnma (62) | ✔ | 16 | 112 | 3 | 2.8066 | 2.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3AlO3 | ICSD | 74969 | C2/m (12) | ✔ | 14 | 96 | 3 | 2.8352 | 2.835 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SiC | COD | 9000028 | R3m (160) | ✗ | 14 | 56 | 3 | 1.6226 | 2.836 | 0.000 | (0;000) | ✗ | 15/03/17 |
| CaSe | COD | 9008607 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8801 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbCClO2 | ICSD | 99805 | C2/m (12) | ✔ | 10 | 74 | 2 | 2.7433 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbSO3 | COD | 9009622 | P2_1/m (11) | ✔ | 10 | 76 | 3 | 2.8374 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsC | ICSD | 51534 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8353 | 2.840 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNb3O8 | COD | 1001208 | Cmcm (63) | ✔ | 24 | 192 | 1 | 2.7746 | 2.840 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd(AsO3)2 | COD | 9007893 | P-31m (162) | ✔ | 9 | 58 | 3 | 2.5174 | 2.843 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaZrO3 | COD | 5910140 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.8438 | 2.844 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InAsH2O5 | COD | 2015029 | P-1 (2) | ✔ | 18 | 100 | 3 | 2.7601 | 2.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AlGaN2 | ICSD | 187055 | P-4m2 (115) | ✗ | 4 | 26 | 3 | 2.845 | 2.845 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaLi2N | COD | 1526562 | Fm-3m (225) | ✔ | 4 | 20 | 1 | 2.8455 | 2.846 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbBO4 | COD | 9012847 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 2.8207 | 2.846 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hf(MoO4)2 | COD | 1532569 | C2/c (15) | ✔ | 22 | 176 | 3 | 2.8462 | 2.846 | 0.000 | (0;000) | ✗ | 07/08/17 |
| KHgC2IN2 | ICSD | 18198 | Cmcm (63) | ✔ | 14 | 92 | 1 | 2.5564 | 2.847 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAs3O8 | COD | 2102799 | C2/c (15) | ✔ | 24 | 144 | 3 | 2.8495 | 2.850 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H(CO)2 | ICSD | 151146 | P2_1/m (11) | ✔ | 20 | 84 | 1 | 2.7476 | 2.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaAg(CN)2 | ICSD | 65697 | C2/c (15) | ✔ | 12 | 76 | 1 | 2.7425 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaH2 | ICSD | 615913 | Cmcm (63) | ✔ | 6 | 24 | 1 | 1.7224 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiC | ICSD | 107204 | P3m1 (156) | ✗ | 10 | 40 | 3 | 1.7282 | 2.854 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaInBr4 | ICSD | 65462 | P2_12_12_1 (19) | ✗ | 24 | 200 | 1 | 2.8544 | 2.854 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2MgTeO6 | ICSD | 290893 | C2/m (12) | ✔ | 10 | 72 | 3 | 2.8585 | 2.859 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H4INO4 | COD | 2008618 | I4_1/a (88) | ✔ | 20 | 80 | 1 | 2.8578 | 2.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnHgC4(SN)4 | COD | 2008857 | I-4 (82) | ✗ | 14 | 84 | 3 | 2.6464 | 2.859 | 0.000 | (0;000) | ✗ | 21/03/17 |
| K3AlO3 | ICSD | 166540 | C2/m (12) | ✔ | 14 | 96 | 1 | 2.8531 | 2.861 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Hg(CO2)2 | ICSD | 151138 | P2_1 (4) | ✗ | 14 | 88 | 3 | 2.7964 | 2.862 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsBrF4 | ICSD | 426292 | Immm (71) | ✔ | 12 | 88 | 1 | 2.8511 | 2.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrGa4O7 | COD | 2002229 | C2/c (15) | ✔ | 24 | 208 | 3 | 2.8686 | 2.869 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb4CO4 | ICSD | 245437 | R3 (146) | ✗ | 9 | 64 | 3 | 2.8509 | 2.870 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KInBr4 | COD | 1004072 | Pnna (52) | ✔ | 24 | 200 | 1 | 2.8711 | 2.871 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BiH(SeO3)2 | ICSD | 251033 | Cc (9) | ✗ | 20 | 128 | 2 | 2.613 | 2.871 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BiClF8 | ICSD | 39555 | P-1 (2) | ✔ | 20 | 156 | 1 | 2.8713 | 2.871 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na4CO4 | ICSD | 245411 | C2 (5) | ✗ | 9 | 64 | 2 | 2.5966 | 2.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaTeO3 | COD | 1524714 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 2.8465 | 2.873 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Pb3SO6 | COD | 8103588 | P2_1/m (11) | ✔ | 20 | 168 | 3 | 2.7642 | 2.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiF3 | ICSD | 25567 | P-43m (215) | ✗ | 16 | 104 | 3 | 2.8752 | 2.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2ZnI4 | ICSD | 56425 | P2_1/m (11) | ✔ | 14 | 116 | 1 | 2.8761 | 2.876 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2H6PtO6 | ICSD | 251041 | P-3 (147) | ✔ | 15 | 58 | 1 | 2.847 | 2.876 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaPtF6 | ICSD | 37443 | R-3 (148) | ✔ | 8 | 62 | 1 | 2.8543 | 2.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiC | ICSD | 24630 | P6_3mc (186) | ✗ | 16 | 64 | 3 | 1.78 | 2.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K4CO4 | ICSD | 245417 | P-43m (215) | ✗ | 9 | 64 | 3 | 2.878 | 2.878 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlTlI4 | ICSD | 419827 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.8112 | 2.879 | 0.000 | (0;000) | ✗ | 04/08/17 |