Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| LiAl(PS3)2 | ICSD | 425979 | C2/c (15) | ✔ | 20 | 104 | 2 | 2.6621 | 2.809 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
| NaAl(PS3)2 | ICSD | 425980 | Fdd2 (43) | ✗ | 20 | 116 | 3 | 2.6585 | 2.694 | 0.000 | (0;000) | ✗ | 16/03/17 |
| TlNO2 | ICSD | 50325 | P3_121 (152) | ✗ | 12 | 90 | 1 | 1.4791 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | COD | 9006415 | P6_222 (180) | ✗ | 18 | 96 | 3 | 5.9031 | 5.917 | 0.000 | (0;000) | ✗ | 16/03/17 |
| BaCO3 | COD | 9006847 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 4.3243 | 4.751 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaBiCO4F | ICSD | 87759 | Pmmn (59) | ✔ | 16 | 120 | 1 | 0.0 | 0.006 | 0.260 | (0;000) | ✗ | 27/01/17 |
| TlNO2 | ICSD | 50326 | P3_121 (152) | ✗ | 12 | 90 | 1 | 1.5802 | 1.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiBC | ICSD | 245288 | P6_3/mmc (194) | ✔ | 6 | 20 | 2 | 0.87 | 1.372 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnTe | ICSD | 104196 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.0183 | 1.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr3Sc2Fe2As2O5 | ICSD | 260450 | I4/mmm (139) | ✔ | 14 | 108 | 1 | 0.0 | 0.014 | 0.435 | (0;000) | ✗ | 21/03/17 |
| Ge3(Te3As)2 | ICSD | 68113 | R-3m (166) | ✔ | 11 | 58 | 2 | 0.0423 | 0.110 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Si2N2O | ICSD | 100775 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2072 | 5.207 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CBrN | ICSD | 31694 | Pmmn (59) | ✔ | 6 | 32 | 1 | 4.971 | 5.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YCBr | ICSD | 78871 | C2/m (12) | ✔ | 6 | 44 | 2 | 0.0 | 0.017 | 0.505 | (0;000) | ✗ | 27/01/17 |
| Si2N2O | ICSD | 100776 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1086 | 5.109 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaCN2 | COD | 1010503 | R-3m (166) | ✔ | 4 | 24 | 1 | 0.0 | 0.474 | 0.106 | (0;000) | ✗ | 27/01/17 |
| Si2N2O | ICSD | 168781 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2974 | 5.297 | 0.000 | (0;000) | ✗ | 06/10/16 |
| As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
| As2SO6 | COD | 9012888 | P2_12_12 (18) | ✗ | 18 | 104 | 2 | 4.374 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaCO3 | ICSD | 161621 | Pmmn (59) | ✔ | 10 | 64 | 1 | 4.485 | 4.872 | 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 |
| Si2N2O | ICSD | 168782 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1818 | 5.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaCO3 | COD | 9000969 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1595 | 5.398 | 0.000 | (0;000) | ✗ | 27/01/17 |