Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Li3As | ICSD | 610785 | P-3c1 (165) | ✔ | 24 | 84 | 1 | 0.0 | 0.021 | 0.028 | (0;000) | ✗ | 04/08/17 |
| PAuCl4 | COD | 1510095 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.4563 | 2.502 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na3AuO2 | COD | 1510250 | P4_2/mnm (136) | ✔ | 24 | 200 | 1 | 1.9989 | 1.999 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr(BS2)2 | COD | 1511644 | R-3 (148) | ✔ | 21 | 120 | 1 | 2.9285 | 2.929 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hf(BH4)4 | ICSD | 35379 | P-43m (215) | ✗ | 21 | 40 | 1 | 5.6325 | 5.633 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2CdSe3 | ICSD | 66653 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.6033 | 1.603 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2FeS3 | ICSD | 615850 | Pnma (62) | ✔ | 24 | 184 | 1 | 0.0 | 0.004 | 0.943 | (1;000) | ✗ | 04/08/17 |
| Ba2MnTe3 | COD | 7221357 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.001 | 0.869 | (1;011) | ✗ | 04/08/17 |
| Ba2ZnS3 | ICSD | 25554 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.9695 | 1.970 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba4Br6O | ICSD | 391435 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 4.3875 | 4.435 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaBeF4 | COD | 5910312 | Pnma (62) | ✔ | 24 | 168 | 1 | 7.8184 | 7.862 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaZnCl4 | ICSD | 410194 | Pnna (52) | ✔ | 24 | 200 | 1 | 4.6929 | 4.693 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaGe2 | ICSD | 409260 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.4882 | 0.617 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaMnO4 | COD | 5910329 | Pnma (62) | ✔ | 24 | 196 | 1 | 0.0 | 0.000 | 0.451 | (1;011) | ✗ | 04/08/17 |
| BCl2 | COD | 1510986 | Pbca (61) | ✔ | 24 | 136 | 1 | 2.6338 | 2.634 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrBeF4 | ICSD | 404396 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 7.6882 | 7.690 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KBF4 | COD | 9012411 | Pnma (62) | ✔ | 24 | 160 | 1 | 8.1512 | 8.151 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaInBr4 | ICSD | 65462 | P2_12_12_1 (19) | ✗ | 24 | 200 | 1 | 2.8544 | 2.854 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na3BN2 | COD | 1511245 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7121 | 1.849 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaBO2 | COD | 9015516 | R-3c (167) | ✔ | 24 | 144 | 1 | 3.7128 | 3.713 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr7(H6Br)2 | ICSD | 418949 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.7126 | 3.878 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2CuBr3 | ICSD | 150293 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.9025 | 1.903 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlFeBr4 | ICSD | 402064 | Pnna (52) | ✔ | 24 | 196 | 1 | 0.0 | 0.001 | 0.518 | (1;000) | ✗ | 04/08/17 |
| NaGaBr4 | ICSD | 69650 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.6083 | 3.608 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TaTeBr9 | ICSD | 410949 | P2_1/m (11) | ✔ | 22 | 164 | 1 | 1.7715 | 1.828 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlBrO4 | ICSD | 65659 | Pnma (62) | ✔ | 24 | 176 | 1 | 3.7139 | 3.827 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsC2N3 | ICSD | 249791 | C2/c (15) | ✔ | 24 | 128 | 1 | 4.6862 | 4.686 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H3C2N | COD | 5000306 | P-1 (2) | ✔ | 24 | 64 | 1 | 3.0551 | 3.102 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HC2F | COD | 4116822 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.5863 | 4.606 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KC2N3 | ICSD | 411932 | Pnma (62) | ✔ | 24 | 128 | 1 | 3.8498 | 3.850 | 0.000 | (0;000) | ✗ | 04/08/17 |
| C3Br2O | COD | 7206336 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.2333 | 1.269 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H2C3Cl | COD | 2006743 | P2_1/c (14) | ✔ | 24 | 84 | 1 | 4.0279 | 4.071 | 0.000 | (0;000) | ✗ | 04/08/17 |
| C3S7O | ICSD | 165374 | P-1 (2) | ✔ | 22 | 120 | 1 | 1.8563 | 2.224 | 0.000 | (0;000) | ✗ | 04/08/17 |
| C4S3Cl4 | COD | 7008813 | P-1 (2) | ✔ | 22 | 124 | 1 | 1.7848 | 1.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H5C4N3 | COD | 2207775 | C2/c (15) | ✔ | 24 | 72 | 1 | 2.9527 | 2.971 | 0.000 | (0;000) | ✗ | 04/08/17 |
| C4S3N5 | COD | 4116668 | P-1 (2) | ✔ | 24 | 118 | 1 | 0.0 | 0.002 | 0.875 | (0;010) | ✗ | 04/08/17 |
| H10C9O4 | COD | 2229064 | P1 (1) | ✗ | 23 | 70 | 1 | 3.3437 | 3.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca2PN3 | ICSD | 72532 | Cmce (64) | ✔ | 24 | 160 | 1 | 2.5689 | 2.623 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaMnF5 | COD | 1518174 | C2/c (15) | ✔ | 14 | 120 | 1 | 0.0 | 0.002 | 0.361 | (0;000) | ✗ | 04/08/17 |
| CaSO4 | COD | 9003569 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.7502 | 6.838 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdI2 | COD | 2106204 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9332 | 2.153 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdI2 | ICSD | 108921 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9384 | 2.162 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdI2 | ICSD | 9194 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.8969 | 2.099 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H4CN | COD | 2100671 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.4543 | 4.534 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HCO | COD | 7100673 | Pc (7) | ✗ | 24 | 88 | 1 | 3.0002 | 3.069 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2CuCl3 | ICSD | 150292 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0536 | 2.054 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbCuCl3 | COD | 1527259 | C2 (5) | ✗ | 20 | 164 | 1 | 0.0 | 0.024 | 0.396 | ? | ✗ | 04/08/17 |
| MoS2Cl3 | ICSD | 28062 | P2_1/c (14) | ✔ | 24 | 188 | 1 | 1.3573 | 1.390 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsGaCl4 | COD | 7221990 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7858 | 4.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaFeCl4 | COD | 1528827 | P2_12_12_1 (19) | ✗ | 24 | 180 | 1 | 0.0 | 0.000 | 0.328 | ? | ✗ | 04/08/17 |