| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CuTe2Br | ICSD | 67252 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.3199 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReB | COD | 1511506 | I4_1/amd (141) | ✔ | 16 | 144 | 3 | 0.0 | 0.003 | 0.609 | (1;111) | ✗ | 02/02/17 |
| RbSbBrF3 | ICSD | 200109 | P-1 (2) | ✔ | 12 | 84 | 1 | 3.7376 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KBrF4 | COD | 1524295 | I4/mcm (140) | ✔ | 12 | 88 | 1 | 3.5441 | 3.575 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KBrF4 | COD | 2310667 | I4/mcm (140) | ✔ | 12 | 88 | 1 | 0.0 | 0.016 | 0.097 | (0;000) | ✗ | 02/02/17 |
| RbBrF4 | ICSD | 65713 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 3.8888 | 3.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbBr(OF3)2 | COD | 4305989 | P2/c (13) | ✔ | 20 | 132 | 1 | 1.9693 | 1.994 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2FeBrO3 | ICSD | 93509 | P4/nmm (129) | ✔ | 14 | 106 | 1 | 0.0 | 0.000 | 0.782 | (0;000) | ✗ | 02/02/17 |
| LiH2BrO | ICSD | 391154 | Cmcm (63) | ✔ | 20 | 72 | 1 | 4.4428 | 4.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgBrO3 | ICSD | 31925 | C2/c (15) | ✔ | 20 | 148 | 2 | 3.4599 | 3.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgBr | COD | 1011061 | I4/mmm (139) | ✔ | 4 | 38 | 1 | 2.4091 | 2.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgSBr | COD | 1531031 | P2_1/m (11) | ✔ | 6 | 50 | 1 | 0.0 | 0.000 | 0.690 | (0;011) | ✗ | 02/02/17 |
| K2HBrO | ICSD | 78734 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.7379 | 3.738 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HPbBrO | ICSD | 404573 | Pnma (62) | ✔ | 16 | 112 | 3 | 2.8066 | 2.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2HBrO | ICSD | 78735 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.6511 | 3.671 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InSb2S4Br | ICSD | 159467 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.4395 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InSb2Se4Br | ICSD | 159466 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.014 | 1.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InTeBr | COD | 1524712 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.6209 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbIBr | ICSD | 22138 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.7861 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MnSbS2Br | ICSD | 172782 | C2/m (12) | ✔ | 10 | 78 | 3 | 0.0 | 0.002 | 0.364 | (1;111) | ✗ | 02/02/17 |
| MnSbSe2Br | ICSD | 172784 | Pnma (62) | ✔ | 20 | 156 | 3 | 0.0 | 0.000 | 0.378 | (1;011) | ✗ | 02/02/17 |
| Mo3S3Br | COD | 1525071 | R-3 (148) | ✔ | 14 | 134 | 3 | 0.0 | 0.002 | 0.636 | (0;111) | ✗ | 02/02/17 |
| Te4MoBr | ICSD | 82245 | P-1 (2) | ✔ | 12 | 90 | 2 | 0.8068 | 0.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y3BrO4 | ICSD | 419384 | Cmcm (63) | ✔ | 16 | 128 | 3 | 4.3204 | 4.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Br | COD | 1010096 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.8751 | 1.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiBrO | ICSD | 240499 | Pmma (51) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.548 | (0;001) | ✗ | 02/02/17 |
| Tl5Se2Br | ICSD | 75960 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.1085 | 0.117 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SeBr | ICSD | 37017 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.7231 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbSBr | COD | 1521208 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.6118 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl5Te2Br | ICSD | 427679 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0633 | 0.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaBRu | ICSD | 429116 | Pmma (51) | ✔ | 18 | 192 | 3 | 0.0 | 0.012 | 0.833 | (1;010) | ✗ | 02/02/17 |
| Tl3BS3 | COD | 1511323 | P2_1/m (11) | ✔ | 14 | 120 | 3 | 0.9641 | 1.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlBS3 | COD | 1511322 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 1.5675 | 1.727 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3BSe3 | COD | 1511327 | P2_1/m (11) | ✔ | 14 | 120 | 1 | 0.7064 | 0.794 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr5Sn3B | ICSD | 656289 | P6_3/mcm (193) | ✔ | 18 | 130 | 3 | 0.0 | 0.000 | 0.765 | (1;000) | ✗ | 02/02/17 |
| CsAgC2 | ICSD | 410873 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.4888 | 2.489 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaAg(CN)2 | ICSD | 65697 | C2/c (15) | ✔ | 12 | 76 | 1 | 2.7425 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCa(CO3)2 | COD | 9013465 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 4.8058 | 4.848 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaMg(CO2)2 | ICSD | 193061 | C2/m (12) | ✔ | 8 | 52 | 1 | 1.5397 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaC2(SN)2 | ICSD | 94428 | C2/c (15) | ✔ | 14 | 80 | 1 | 0.023 | 0.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiBC2(O2F)2 | ICSD | 185384 | Cmcm (63) | ✔ | 20 | 104 | 1 | 3.7651 | 3.918 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNiC2BrN2 | ICSD | 380468 | I4/mmm (139) | ✔ | 14 | 88 | 3 | 0.0 | 0.012 | 0.283 | (0;000) | ✗ | 02/02/17 |
| RbNiC2BrN2 | ICSD | 380470 | I4/mmm (139) | ✔ | 14 | 88 | 3 | 0.0 | 0.009 | 0.315 | (0;000) | ✗ | 02/02/17 |
| CaC2(SN)2 | ICSD | 412783 | C2/c (15) | ✔ | 14 | 80 | 1 | 3.566 | 3.648 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PC2N3Cl4 | ICSD | 81344 | Cmcm (63) | ✔ | 20 | 112 | 1 | 3.7138 | 3.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNiC2N2Cl | ICSD | 380469 | I4/mmm (139) | ✔ | 14 | 88 | 2 | 0.0 | 0.009 | 0.271 | (0;000) | ✗ | 02/02/17 |
| RbNiC2N2Cl | ICSD | 380471 | I4/mmm (139) | ✔ | 14 | 88 | 3 | 0.0 | 0.006 | 0.273 | (0;000) | ✗ | 02/02/17 |
| CsC2I3N2 | ICSD | 32521 | Pmmn (59) | ✔ | 16 | 96 | 1 | 3.0749 | 3.166 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsKC2 | ICSD | 189822 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.2247 | 3.231 | 0.000 | (0;000) | ✗ | 02/02/17 |