Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SiF4 | ICSD | 14122 | I-43m (217) | ✗ | 5 | 32 | 1 | 8.056 | 8.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KMnBi | ICSD | 601586 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.834 | (1;000) | ✗ | 05/01/17 |
| NaMnBi | ICSD | 616814 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.871 | (1;000) | ✗ | 05/01/17 |
| NaBiO3 | COD | 1526788 | R-3 (148) | ✔ | 10 | 84 | 1 | 1.4476 | 1.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MoBr3 | ICSD | 413690 | C2mm (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.001 | 0.433 | (0;011) | ✔ | 04/10/16 |
| BaLiP | ICSD | 56444 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.6342 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaMnO3 | ICSD | 24129 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
| BaMnO3 | ICSD | 89995 | Cmc2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.358 | ? | ✗ | 06/10/16 |
| BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaVS3 | ICSD | 154184 | Cm (8) | ✗ | 10 | 82 | 1 | 0.0 | 0.002 | 0.581 | ? | ✗ | 06/10/16 |
| BaTiS3 | ICSD | 18201 | Ccmm (63) | ✔ | 10 | 80 | 1 | 0.0 | 0.022 | 0.149 | (0;000) | ✗ | 06/10/16 |
| BaVS3 | ICSD | 154182 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.545 | (0;011) | ✔ | 05/12/16 |
| AuCl2 | ICSD | 201436 | P-1 (2) | ✔ | 12 | 100 | 1 | 0.7861 | 1.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeS | ICSD | 183373 | F-43m (216) | ✗ | 2 | 10 | 1 | 3.0264 | 5.598 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BBr3 | ICSD | 173374 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.5823 | 3.889 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaVS3 | ICSD | 63229 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.538 | ? | ✗ | 06/10/16 |
| BCl3 | ICSD | 24526 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.2389 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiBeSb | ICSD | 616318 | P6_3mc (186) | ✗ | 6 | 24 | 1 | 0.4792 | 0.920 | 0.000 | (0;000) | ✔ | 06/10/16 |
| LiB | ICSD | 236960 | P6_3/mmc (194) | ✔ | 4 | 12 | 1 | 0.0 | 0.002 | 0.218 | (0;000) | ✗ | 27/01/17 |
| LiBO2 | COD | 2310701 | P2_1/c (14) | ✔ | 16 | 72 | 1 | 5.6407 | 5.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KBrO3 | ICSD | 33663 | R3m (160) | ✗ | 5 | 34 | 1 | 3.1451 | 3.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3SiBr2 | COD | 1521784 | R-3m (166) | ✔ | 6 | 48 | 1 | 0.0 | 0.001 | 0.479 | (0;000) | ✗ | 27/01/17 |
| CaBr2 | COD | 4031227 | Pnnm (58) | ✔ | 6 | 48 | 1 | 4.4868 | 4.487 | 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 |
| KBrO3 | ICSD | 47173 | R3m (160) | ✗ | 5 | 34 | 1 | 3.909 | 3.909 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BI3 | ICSD | 173375 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 2.4262 | 2.516 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbBrO3 | ICSD | 74768 | R3m (160) | ✗ | 5 | 34 | 1 | 4.0343 | 4.035 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89542 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.425 | ? | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89544 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.003 | 0.511 | ? | ✗ | 06/10/16 |
| BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Li6Br3N | COD | 1528848 | Fm-3m (225) | ✔ | 10 | 44 | 1 | 2.9029 | 3.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca2H3Br | ICSD | 420928 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 1.2757 | 1.483 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgCN | ICSD | 85783 | R3m (160) | ✗ | 3 | 20 | 1 | 2.5177 | 3.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaCO3 | ICSD | 158389 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7206 | 3.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be3N2 | ICSD | 185490 | R3m (160) | ✗ | 5 | 22 | 1 | 2.7756 | 3.816 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C(ClF)2 | ICSD | 33947 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.63 | 5.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KCN | ICSD | 173942 | Cc (9) | ✗ | 6 | 36 | 1 | 5.131 | 5.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CIN | ICSD | 77911 | R3m (160) | ✗ | 3 | 16 | 1 | 3.8512 | 3.926 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MoBr3 | ICSD | 9422 | Cm2m (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.011 | 0.407 | (0;110) | ✔ | 04/10/16 |
| KCN | ICSD | 27351 | Cm (8) | ✗ | 3 | 18 | 1 | 4.6894 | 5.539 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245389 | R3m (160) | ✗ | 9 | 40 | 1 | 1.9001 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245388 | P-43m (215) | ✗ | 9 | 40 | 1 | 4.7041 | 5.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be5Pt | ICSD | 616395 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.584 | 0.071 | (0;000) | ✔ | 06/10/16 |
| Li4CO4 | ICSD | 245405 | C2 (5) | ✗ | 9 | 40 | 1 | 6.7435 | 6.759 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245412 | R3 (146) | ✗ | 9 | 64 | 1 | 3.325 | 3.663 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245413 | Cm (8) | ✗ | 9 | 64 | 1 | 3.3773 | 3.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrBrF | ICSD | 35392 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.0428 | 5.043 | 0.000 | (0;000) | ✗ | 27/01/17 |