Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BaGeO3 | ICSD | 23925 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.833 | 3.835 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZrGeO4 | ICSD | 29262 | I4_1/a (88) | ✔ | 12 | 64 | 3 | 3.8336 | 4.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na4B2O5 | COD | 1524718 | C2/c (15) | ✔ | 22 | 144 | 1 | 3.8345 | 3.860 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2NbInO6 | ICSD | 99696 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 3.8346 | 3.882 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaInO4 | COD | 4329321 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.8358 | 3.989 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrHfO3 | COD | 1010425 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 3.8365 | 4.058 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCO3 | ICSD | 186773 | P-1 (2) | ✔ | 10 | 64 | 1 | 3.8372 | 3.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KBrO4 | COD | 4343799 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.8377 | 3.880 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2MoO4 | ICSD | 151971 | Fddd (70) | ✔ | 14 | 112 | 1 | 3.8382 | 3.838 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeOF2 | COD | 1521091 | P2_1 (4) | ✗ | 16 | 104 | 3 | 3.8393 | 3.841 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Mg3(HO2)2 | COD | 1531164 | P-3m1 (164) | ✔ | 18 | 112 | 1 | 3.8412 | 3.841 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AsClF8 | ICSD | 23775 | C2/c (15) | ✔ | 20 | 136 | 1 | 3.8415 | 3.876 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NaScCl4 | ICSD | 402273 | Pbcn (60) | ✔ | 24 | 192 | 1 | 3.843 | 3.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaNbO3 | COD | 9015979 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.8433 | 3.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(AsO3)2 | ICSD | 420297 | P6_3/mcm (193) | ✔ | 18 | 112 | 2 | 3.844 | 4.081 | 0.000 | (0;000) | ✗ | 30/01/17 |
| PCl3 | ICSD | 27798 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.8453 | 3.871 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaAl2O4 | COD | 1010039 | P6_322 (182) | ✗ | 14 | 80 | 3 | 3.8461 | 4.116 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Cs2LiScCl6 | ICSD | 65734 | R-3m (166) | ✔ | 20 | 148 | 1 | 3.8468 | 3.847 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SrSeO3 | COD | 2213989 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.848 | 3.849 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr3GeO8 | ICSD | 29263 | I-42m (121) | ✗ | 12 | 64 | 3 | 3.8494 | 4.000 | 0.000 | (0;000) | ✗ | 07/10/16 |
| KC2N3 | ICSD | 411932 | Pnma (62) | ✔ | 24 | 128 | 1 | 3.8498 | 3.850 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CIN | ICSD | 77911 | R3m (160) | ✗ | 3 | 16 | 1 | 3.8512 | 3.926 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KSO4 | ICSD | 54024 | P-1 (2) | ✔ | 12 | 78 | 1 | 3.8529 | 3.879 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlHO2 | COD | 1011027 | Pnma (62) | ✔ | 16 | 64 | 3 | 3.8534 | 3.853 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(AsO3)2 | ICSD | 81064 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.8558 | 4.178 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2S | COD | 1526194 | Pnma (62) | ✔ | 12 | 48 | 2 | 3.8559 | 4.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsSrN9 | COD | 8103571 | C2/c (15) | ✔ | 22 | 128 | 1 | 3.8586 | 3.952 | 0.000 | (0;000) | ✗ | 07/08/17 |
| BaNaBO3 | COD | 2003991 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.8607 | 3.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrSO4 | ICSD | 23744 | F-43m (216) | ✗ | 6 | 40 | 1 | 3.8609 | 3.867 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnCl2 | ICSD | 15916 | I-42d (122) | ✗ | 6 | 52 | 3 | 3.8632 | 3.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
| H2C2O | COD | 7054719 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8651 | 3.865 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaCO3 | COD | 9016600 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.8664 | 3.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(AsO3)2 | ICSD | 420296 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.8678 | 4.175 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Al4CO4 | COD | 2310612 | Cmc2_1 (36) | ✗ | 18 | 80 | 3 | 3.8694 | 3.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
| HfO2 | COD | 9009016 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 3.8709 | 3.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr7(H6Cl)2 | ICSD | 418948 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.8726 | 3.886 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2W2O7 | ICSD | 21048 | P-1 (2) | ✔ | 22 | 208 | 1 | 3.8733 | 3.915 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CaWO4 | ICSD | 193048 | C2/c (15) | ✔ | 12 | 124 | 3 | 3.8738 | 3.874 | 0.000 | (0;000) | ✗ | 11/04/17 |
| KAsO2 | ICSD | 413149 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.8754 | 3.965 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CaTaAlO5 | ICSD | 50718 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.8797 | 3.978 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2Pb(SO4)2 | COD | 9012718 | R-3m (166) | ✔ | 13 | 92 | 1 | 3.8802 | 4.111 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg4H2O5 | COD | 1531161 | P-3m1 (164) | ✔ | 11 | 72 | 2 | 3.8834 | 3.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeCN2 | ICSD | 181041 | I-42d (122) | ✗ | 8 | 36 | 3 | 3.8848 | 3.885 | 0.000 | (0;000) | ✗ | 07/10/16 |
| AsCl3 | COD | 4317526 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 3.8861 | 4.275 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbBrF4 | ICSD | 65713 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 3.8888 | 3.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KSeO2F | ICSD | 78398 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.8904 | 3.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KBrO3 | ICSD | 74767 | R3m (160) | ✗ | 5 | 34 | 1 | 3.8919 | 3.892 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTaGeO5 | COD | 2103314 | C2/c (15) | ✔ | 16 | 100 | 3 | 3.8933 | 3.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScSeO3F | ICSD | 251184 | P-1 (2) | ✔ | 12 | 84 | 3 | 3.8993 | 3.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H2C2O | COD | 7054718 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8994 | 3.899 | 0.000 | (0;000) | ✗ | 21/03/17 |