| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ti4Bi2O11 | COD | 2101260 | C2/m (12) | ✔ | 17 | 144 | 3 | 2.0813 | 2.516 | 0.000 | (0;000) | ✗ | 21/03/17 |
| B4CCl6O | ICSD | 280617 | R3m (160) | ✗ | 12 | 64 | 1 | 4.1136 | 4.192 | 0.000 | (0;000) | ✗ | 22/03/17 |
| LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ca5B3O9F | ICSD | 69537 | Cm (8) | ✗ | 18 | 120 | 1 | 4.3024 | 4.302 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Sr(BrO3)2 | ICSD | 61158 | Cc (9) | ✗ | 18 | 120 | 1 | 4.2156 | 4.324 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaS3 | COD | 1010269 | P2_12_12 (18) | ✗ | 16 | 112 | 3 | 0.8913 | 0.979 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbLiCrO4 | COD | 2100905 | P31c (159) | ✗ | 14 | 100 | 1 | 3.1623 | 3.225 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Al4CO4 | COD | 2310612 | Cmc2_1 (36) | ✗ | 18 | 80 | 3 | 3.8694 | 3.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SbBr3 | COD | 1527261 | P2_12_12_1 (19) | ✗ | 16 | 104 | 2 | 2.6249 | 2.908 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbCS(OF)3 | ICSD | 415817 | P2_1 (4) | ✗ | 18 | 116 | 1 | 5.2115 | 5.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SCl | ICSD | 37016 | Fdd2 (43) | ✗ | 16 | 104 | 1 | 2.6979 | 2.765 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PCl3O | COD | 2106202 | Pna2_1 (33) | ✗ | 20 | 128 | 1 | 4.6695 | 4.670 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MgSi(CuS2)2 | ICSD | 425554 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.7685 | 1.769 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 44791 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 2.0667 | 2.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCdC4(SeN)4 | COD | 2208502 | I-4 (82) | ✗ | 14 | 84 | 3 | 3.1605 | 3.333 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs3CdBr5 | ICSD | 39599 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba4Zr3S10 | ICSD | 72656 | I4/mmm (139) | ✔ | 17 | 112 | 2 | 0.1499 | 0.382 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZnSi(CuS2)2 | ICSD | 236248 | Pc (7) | ✗ | 16 | 124 | 3 | 1.684 | 1.684 | 0.000 | (0;000) | ✗ | 22/03/17 |
| P4N3Cl11 | ICSD | 71913 | R3 (146) | ✗ | 18 | 112 | 1 | 3.143 | 3.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PbCN2 | COD | 2310547 | Pna2_1 (33) | ✗ | 16 | 112 | 2 | 1.6961 | 1.912 | 0.000 | (0;000) | ✗ | 22/03/17 |
| H3C4N3 | COD | 2205937 | Pc (7) | ✗ | 20 | 68 | 1 | 4.3703 | 4.482 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BrNO3 | ICSD | 407765 | P2_12_12_1 (19) | ✗ | 20 | 120 | 1 | 2.25 | 2.269 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaBrO3 | COD | 2106225 | P2_13 (198) | ✗ | 20 | 136 | 1 | 4.8193 | 4.821 | 0.000 | (0;000) | ✗ | 21/03/17 |
| K3MnCrO8 | ICSD | 26803 | R3m (160) | ✗ | 13 | 104 | 1 | 0.6011 | 0.635 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiC | COD | 2310588 | R3m (160) | ✗ | 16 | 64 | 3 | 1.6136 | 2.745 | 0.000 | (0;000) | ✗ | 22/03/17 |