| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| S4I2O15 | ICSD | 427675 | P1 (1) | ✗ | 21 | 128 | 2 | 2.4767 | 2.599 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaAl4S7 | COD | 1518017 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 3.0756 | 3.286 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgSiO3 | COD | 9002911 | C2/c (15) | ✔ | 20 | 128 | 3 | 8.017 | 8.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3SO4F | ICSD | 81835 | I4/mcm (140) | ✔ | 18 | 128 | 1 | 5.5389 | 5.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaMg(SiO3)2 | COD | 9000506 | C2/c (15) | ✔ | 20 | 128 | 3 | 3.7875 | 3.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsTaI6 | ICSD | 418487 | C2/c (15) | ✔ | 16 | 128 | 1 | 0.6727 | 0.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgS2O7 | ICSD | 426707 | P-1 (2) | ✔ | 20 | 128 | 3 | 5.9973 | 5.997 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YF3 | ICSD | 26595 | Pnma (62) | ✔ | 16 | 128 | 3 | 7.8042 | 7.839 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaMg(SiO3)2 | COD | 9000335 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.073 | 5.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReF7 | ICSD | 78311 | P-1 (2) | ✔ | 16 | 128 | 1 | 2.1498 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2NaVO4 | ICSD | 65963 | P2_1/m (11) | ✔ | 16 | 128 | 1 | 3.9489 | 4.047 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YAlPd | ICSD | 609063 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.020 | 0.404 | (1;000) | ✗ | 30/01/17 |
| CaMg(SiO3)2 | COD | 1011057 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.0012 | 5.001 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbNbAsClO5 | ICSD | 85758 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.3107 | 3.329 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na2PdF4 | ICSD | 71101 | P2_1/c (14) | ✔ | 14 | 128 | 1 | 1.3759 | 1.415 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2Ru3O10 | COD | 1004145 | C2/m (12) | ✔ | 15 | 128 | 2 | 0.0 | 0.021 | 0.453 | (0;000) | ✗ | 27/01/17 |
| Nb4FeSi | ICSD | 53511 | P4/mcc (124) | ✔ | 12 | 128 | 3 | 0.0 | 0.001 | 0.527 | (0;110) | ✗ | 27/01/17 |
| AsCl3O | ICSD | 411196 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 2.8211 | 2.897 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NbIO2 | ICSD | 418061 | Pnma (62) | ✔ | 16 | 128 | 2 | 1.1368 | 1.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hf4CuP | ICSD | 627906 | P4/mcc (124) | ✔ | 12 | 128 | 3 | 0.0 | 0.008 | 0.574 | (0;110) | ✗ | 02/02/17 |
| RbPO3 | ICSD | 74738 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.8349 | 4.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbPO3 | COD | 2310557 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 5.46 | 5.460 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbCrP | ICSD | 53189 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.379 | (1;000) | ✗ | 27/01/17 |
| CaSi2NiO6 | COD | 9001303 | C2/c (15) | ✔ | 20 | 128 | 3 | 0.0 | 0.007 | 0.582 | (1;000) | ✗ | 02/02/17 |
| CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cu6PbO8 | COD | 2102004 | Fm-3m (225) | ✔ | 15 | 128 | 3 | 0.0 | 0.006 | 0.271 | (0;000) | ✗ | 02/02/17 |
| K3SeO4F | ICSD | 82750 | I4/mcm (140) | ✔ | 18 | 128 | 3 | 4.1863 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(BiO2)2 | ICSD | 80668 | C2/m (12) | ✔ | 14 | 128 | 1 | 0.3368 | 0.827 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrF4 | COD | 2019609 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 5.2782 | 5.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrI4 | ICSD | 62243 | P-1 (2) | ✔ | 20 | 128 | 1 | 1.0239 | 1.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSiPd | ICSD | 69790 | P2_1/c (14) | ✔ | 12 | 128 | 3 | 0.0 | 0.014 | 0.135 | (1;000) | ✗ | 02/02/17 |
| Zn(CrS2)2 | COD | 9012048 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.001 | 0.187 | (0;000) | ✗ | 02/02/17 |
| BaPIr | ICSD | 73529 | P2_13 (198) | ✗ | 12 | 128 | 3 | 0.0 | 0.000 | 0.394 | (0;000) | ✔ | 05/12/16 |
| Zn(CrSe2)2 | COD | 9012050 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.001 | 0.239 | (0;000) | ✗ | 02/02/17 |
| SrZrO3 | COD | 1528398 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.1899 | 3.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cr2HgO4 | COD | 2210102 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.000 | 0.145 | (0;000) | ✗ | 27/01/17 |
| Sb3Rh | COD | 9015265 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0 | 0.000 | 0.030 | (1;000) | ✗ | 02/02/17 |
| CaZrS3 | ICSD | 23286 | Pnma (62) | ✔ | 20 | 128 | 3 | 1.0094 | 1.009 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNO3 | ICSD | 85491 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.5677 | 3.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSc(GeO3)2 | ICSD | 22503 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.0198 | 4.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YSiRh | ICSD | 650347 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.030 | 0.538 | (1;000) | ✗ | 02/02/17 |
| MgSiO3 | COD | 9004005 | Pnma (62) | ✔ | 20 | 128 | 3 | 5.9742 | 6.080 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCO3 | COD | 9006846 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.2133 | 4.219 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cr(GaS2)2 | ICSD | 626045 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✗ | 02/02/17 |
| ScAlO3 | COD | 9005885 | Pnma (62) | ✔ | 20 | 128 | 3 | 4.6104 | 4.791 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaAuSe2 | COD | 1510244 | P2_1/c (14) | ✔ | 16 | 128 | 2 | 0.9668 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge3Pt2 | ICSD | 43683 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.0 | 0.021 | 0.907 | (0;000) | ✗ | 02/02/17 |
| BaCO3 | COD | 1011149 | Pnma (62) | ✔ | 20 | 128 | 2 | 4.4216 | 4.463 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScGeIr | ICSD | 636730 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.040 | 0.270 | (1;000) | ✗ | 27/01/17 |
| MgSiO3 | COD | 9003382 | C2/c (15) | ✔ | 20 | 128 | 3 | 8.3287 | 8.473 | 0.000 | (0;000) | ✗ | 27/01/17 |