| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsCdBr3 | COD | 1010122 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.8231 | 1.294 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsSnBr3 | ICSD | 4071 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0133 | 0.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsCaBr3 | ICSD | 77242 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 4.484 | 4.646 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(MnP)2 | ICSD | 77670 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.012 | 0.406 | (1;001) | ✗ | 27/01/17 |
| ZrBRh3 | ICSD | 615353 | Pm-3m (221) | ✔ | 5 | 58 | 3 | 0.0 | 0.000 | 0.110 | (0;111) | ✗ | 27/01/17 |
| Mg3Sb2 | ICSD | 165386 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 0.1215 | 1.032 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrMg2N2 | ICSD | 410826 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.7942 | 1.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sc3BPb | COD | 1511293 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.106 | (1;000) | ✗ | 27/01/17 |
| Sr(MgSb)2 | COD | 7221201 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.7472 | 1.394 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNO3 | COD | 1011340 | R-3m (166) | ✔ | 5 | 26 | 3 | 0.0 | 0.012 | 0.680 | (1;111) | ✗ | 27/01/17 |
| SrGe3Pt | ICSD | 168863 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.011 | 0.394 | (1;000) | ✔ | 07/10/16 |
| Na2PdC2 | ICSD | 50172 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 0.926 | 1.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaAl4 | ICSD | 57513 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.042 | 0.115 | (1;000) | ✗ | 05/01/17 |
| Li2PdO2 | COD | 1528454 | Immm (71) | ✔ | 5 | 36 | 1 | 1.3852 | 1.861 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCrF3 | ICSD | 27690 | P4/mmm (123) | ✔ | 5 | 44 | 3 | 0.0 | 0.036 | 0.796 | (0;000) | ✗ | 27/01/17 |
| Ca3AuN | COD | 1510068 | Pm-3m (221) | ✔ | 5 | 46 | 1 | 0.0 | 0.000 | 0.418 | (1;000) | ✗ | 05/01/17 |
| CsGeCl3 | ICSD | 23121 | R3 (146) | ✗ | 5 | 34 | 1 | 2.3076 | 2.309 | 0.000 | (0;000) | ✗ | 28/10/16 |
| Sr(AlSi)2 | ICSD | 609338 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.382 | 0.180 | (0;000) | ✗ | 05/01/17 |
| TlClO3 | ICSD | 76434 | R3m (160) | ✗ | 5 | 38 | 1 | 3.9476 | 4.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbClO3 | ICSD | 36260 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3577 | 5.830 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbClO3 | ICSD | 10283 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3969 | 5.397 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KClO3 | ICSD | 9483 | R3m (160) | ✗ | 5 | 34 | 2 | 0.924 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KClO3 | ICSD | 188311 | R3m (160) | ✗ | 5 | 34 | 1 | 4.7094 | 4.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KTaO3 | COD | 5910018 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.0924 | 2.703 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2NiO2 | ICSD | 25000 | Immm (71) | ✔ | 5 | 28 | 1 | 0.6319 | 1.114 | 0.000 | (0;000) | ✗ | 27/01/17 |