Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlBrO3 | ICSD | 76966 | R3m (160) | ✗ | 5 | 38 | 1 | 2.7769 | 2.778 | 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 |
| KBrO3 | ICSD | 74767 | R3m (160) | ✗ | 5 | 34 | 1 | 3.8919 | 3.892 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SO2 | ICSD | 24645 | C2ce (41) | ✗ | 6 | 36 | 1 | 2.7868 | 3.412 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89541 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.002 | 0.536 | (1;000) | ✔ | 05/12/16 |
| N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89543 | P-6m2 (187) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.331 | ? | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89544 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.003 | 0.511 | ? | ✗ | 06/10/16 |
| Ca2As | COD | 9008351 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.008 | 0.092 | (0;000) | ✗ | 05/01/17 |
| Ca3AsN | ICSD | 56968 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.6838 | 0.684 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca3SiBr2 | ICSD | 89545 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.001 | 0.512 | ? | ✗ | 06/10/16 |
| PdCl2 | ICSD | 421220 | P2/m (10) | ✔ | 6 | 64 | 1 | 0.7541 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AsI3 | ICSD | 23003 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9506 | 2.019 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 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 |
| AsF5 | ICSD | 65477 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 5.6073 | 5.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
| InAsF6 | ICSD | 417952 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.2374 | 4.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrS3 | ICSD | 23638 | Cc2e (41) | ✗ | 8 | 56 | 1 | 1.0789 | 1.079 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAsF6 | ICSD | 74831 | R-3 (148) | ✔ | 8 | 50 | 1 | 5.5912 | 5.598 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GaCl3 | ICSD | 413455 | C2/m (12) | ✔ | 8 | 68 | 1 | 4.2652 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
| C(ClF)2 | ICSD | 33947 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.63 | 5.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C(ClF)2 | ICSD | 33946 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.5318 | 5.537 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CClF3 | ICSD | 49696 | Ccm2_1 (36) | ✗ | 10 | 64 | 1 | 6.6335 | 6.643 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RuCl3 | ICSD | 414041 | Cmcm (63) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.794 | (0;110) | ✔ | 02/02/17 |
| C(ClF)2 | ICSD | 33948 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.7375 | 5.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 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 |
| BaN2 | ICSD | 280681 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.007 | 0.652 | (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 |
| Be5Pd | ICSD | 58729 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.315 | 0.184 | (0;000) | ✔ | 04/10/16 |
| Li4CO4 | ICSD | 245405 | C2 (5) | ✗ | 9 | 40 | 1 | 6.7435 | 6.759 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaP3 | ICSD | 23618 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.6198 | 0.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na4CO4 | ICSD | 245406 | P-43m (215) | ✗ | 9 | 64 | 1 | 2.7579 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
| S(ClO)2 | ICSD | 62970 | F2dd (43) | ✗ | 10 | 64 | 1 | 4.2223 | 4.232 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaAg | ICSD | 57352 | Ccmm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.621 | (0;110) | ✗ | 06/10/16 |
| BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245434 | C2 (5) | ✗ | 9 | 64 | 1 | 1.1845 | 1.310 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ag2S | ICSD | 98452 | P2_1/m (11) | ✔ | 6 | 56 | 1 | 0.0 | 0.020 | 0.267 | (1;001) | ✗ | 06/10/16 |
| CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaS3 | ICSD | 23637 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 1.3893 | 1.418 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAgC2 | ICSD | 410868 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.2334 | 2.032 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3ZnSe4 | ICSD | 167833 | P-43m (215) | ✗ | 8 | 66 | 1 | 1.9339 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeO | COD | 1011325 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 6.5102 | 6.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsN | ICSD | 29106 | Pm-3m (221) | ✔ | 2 | 14 | 1 | 0.0 | 0.000 | 0.697 | (0;000) | ✗ | 27/01/17 |
| Ca6Ge2O | ICSD | 181078 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.2852 | 0.294 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2CdPb | ICSD | 10041 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.1156 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
| MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaAs3 | ICSD | 193 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 06/10/16 |