Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BaCuSF | ICSD | 183712 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.6889 | 1.689 | 0.000 | (0;000) | ✗ | 05/01/17 |
| 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 |
| FeH4(ClO)2 | COD | 9012466 | C2/m (12) | ✔ | 9 | 38 | 1 | 0.275 | 0.342 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScGe2 | ICSD | 637830 | Cmcm (63) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.822 | (0;000) | ✗ | 06/10/16 |
| BaCuTeF | ICSD | 245624 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8274 | 0.827 | 0.000 | (0;000) | ✗ | 05/01/17 |
| 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 |
| BaCuP | ICSD | 52684 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.374 | 0.167 | (0;000) | ✗ | 05/01/17 |
| 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 |
| BaCuSb | ICSD | 57020 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.123 | 0.162 | (0;000) | ✗ | 05/01/17 |
| 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 |
| BaF2 | ICSD | 41650 | Pnma (62) | ✔ | 12 | 96 | 1 | 7.3138 | 7.314 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CsAgC2 | ICSD | 410873 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.4888 | 2.489 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YCuSn | ICSD | 416544 | P2_1 (4) | ✗ | 6 | 72 | 0 | 0.0 | 0.004 | 0.222 | (0;000) | ✔ | 06/10/16 |
| 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 |
| CsC2N5 | COD | 4320904 | C2/c (15) | ✔ | 16 | 84 | 1 | 4.5738 | 4.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNaC2 | ICSD | 189824 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.1107 | 3.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsRbC2 | ICSD | 189823 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8694 | 3.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCuC2 | ICSD | 412039 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P(CF3)2 | COD | 4321851 | P-1 (2) | ✔ | 18 | 110 | 1 | 4.1715 | 4.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaH2C2O5 | ICSD | 151115 | C2/m (12) | ✔ | 20 | 100 | 1 | 3.1951 | 3.297 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgH2C2I2N | COD | 2203720 | P-1 (2) | ✔ | 16 | 82 | 3 | 2.1095 | 2.167 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2C2I | COD | 4508289 | P-1 (2) | ✔ | 20 | 68 | 1 | 2.6863 | 2.762 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2C2O | COD | 7054714 | P-1 (2) | ✔ | 20 | 64 | 1 | 3.9925 | 4.100 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH3C2O3 | ICSD | 77115 | P-1 (2) | ✔ | 18 | 76 | 1 | 5.372 | 5.405 | 0.000 | (0;000) | ✗ | 02/02/17 |