Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AgHgAsS3 | COD | 9000870 | Cc (9) | ✗ | 12 | 92 | 3 | 1.2735 | 1.278 | 0.000 | (0;000) | ✗ | 16/03/17 |
| H2O2 | COD | 9014214 | P4_12_12 (92) | ✗ | 16 | 56 | 1 | 4.7599 | 4.772 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AgI | COD | 9011695 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.287 | 2.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
| ZnSi(AgS2)2 | ICSD | 183705 | Pc (7) | ✗ | 16 | 124 | 3 | 1.766 | 1.864 | 0.000 | (0;000) | ✗ | 16/03/17 |
| TeO2 | COD | 1520934 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 3.0222 | 3.190 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sb2Se3 | COD | 9007437 | Pnma (62) | ✔ | 20 | 112 | 2 | 0.8595 | 0.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Au2Se3 | COD | 4027824 | C2/c (15) | ✔ | 14 | 116 | 1 | 1.449 | 1.456 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiO2 | COD | 9002649 | Ibam (72) | ✔ | 18 | 96 | 3 | 5.5541 | 5.813 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsClO4 | COD | 1010572 | F-43m (216) | ✗ | 6 | 40 | 1 | 0.533 | 0.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2SnCl6 | COD | 1010173 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 2.3917 | 2.392 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PPbSe3 | ICSD | 62230 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.4514 | 1.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb3O4 | COD | 9003043 | Pbam (55) | ✔ | 14 | 132 | 3 | 0.1559 | 0.643 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2S3 | ICSD | 423037 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 2.2148 | 2.293 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlGaSe2 | COD | 7221239 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.2788 | 0.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiH(SeO3)2 | ICSD | 251033 | Cc (9) | ✗ | 20 | 128 | 2 | 2.613 | 2.871 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs3ClO | ICSD | 401664 | Pnma (62) | ✔ | 20 | 160 | 2 | 2.0723 | 2.076 | 0.000 | (0;000) | ✗ | 22/03/17 |
| GaTeCl | COD | 7221395 | Pnnm (58) | ✔ | 12 | 104 | 2 | 2.0533 | 2.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlIO4 | ICSD | 52342 | I4_1/a (88) | ✔ | 12 | 88 | 1 | 1.1834 | 1.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiTaGeO5 | COD | 2103314 | C2/c (15) | ✔ | 16 | 100 | 3 | 3.8933 | 3.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScRhO3 | ICSD | 237350 | P2_1/m (11) | ✔ | 20 | 184 | 3 | 0.8501 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaBeSiO4 | ICSD | 86792 | Cm (8) | ✗ | 7 | 42 | 1 | 4.4044 | 4.449 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SbRuS | ICSD | 650583 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.1583 | 0.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlI3 | ICSD | 61349 | Pnma (62) | ✔ | 16 | 136 | 1 | 1.333 | 1.387 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrSnO3 | COD | 1521093 | Pnma (62) | ✔ | 20 | 168 | 3 | 2.1483 | 2.168 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlIn(PSe3)2 | COD | 4000513 | P-1 (2) | ✔ | 20 | 144 | 3 | 1.4879 | 1.591 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3NaFeCl6 | ICSD | 23182 | R-3m (166) | ✔ | 11 | 86 | 1 | 0.8954 | 0.895 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs6GaSb3 | ICSD | 300216 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 0.7326 | 0.805 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbSn2Br5 | ICSD | 151989 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.2355 | 2.427 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbI2 | ICSD | 108914 | R-3m (166) | ✔ | 6 | 56 | 1 | 1.4435 | 1.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrN6 | ICSD | 35226 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.6409 | 3.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScF3 | COD | 1010451 | R32 (155) | ✗ | 4 | 32 | 3 | 1.8554 | 1.935 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TlPS3 | ICSD | 658902 | Immm (71) | ✔ | 10 | 72 | 1 | 1.7134 | 1.720 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2O5 | ICSD | 77377 | Fdd2 (43) | ✗ | 14 | 80 | 3 | 5.886 | 5.886 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Te2Os | COD | 5910143 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.724 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuHgSeCl | COD | 1001109 | Pbam (55) | ✔ | 16 | 144 | 3 | 0.868 | 0.874 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2Si | COD | 1520913 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3629 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiH3F | ICSD | 60065 | P2_1/c (14) | ✔ | 20 | 56 | 1 | 6.3681 | 6.415 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGeBO4 | ICSD | 67535 | I-4 (82) | ✗ | 7 | 34 | 3 | 5.1036 | 5.475 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Y2S2O | COD | 4030480 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 2.5291 | 2.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaP8 | ICSD | 96544 | P-1 (2) | ✔ | 18 | 100 | 1 | 0.7672 | 1.147 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P3Ru | ICSD | 62420 | P-1 (2) | ✔ | 16 | 124 | 3 | 1.1482 | 1.201 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnCu2SnS4 | ICSD | 262388 | I-4 (82) | ✗ | 8 | 72 | 3 | 0.2908 | 0.291 | 0.000 | (0;000) | ✔ | 15/02/17 |
| InH4NCl4 | ICSD | 419830 | I4_1/a (88) | ✔ | 20 | 100 | 1 | 3.811 | 3.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cr2AgBiO8 | ICSD | 8224 | I-4 (82) | ✗ | 12 | 102 | 3 | 1.1891 | 1.204 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CoSb3 | COD | 9015513 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.025 | 0.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2ScSbO6 | ICSD | 262995 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 3.8324 | 4.021 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sb(IF3)2 | ICSD | 63301 | P-1 (2) | ✔ | 18 | 122 | 1 | 0.5805 | 0.635 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbSeI3 | ICSD | 410743 | C2/c (15) | ✔ | 20 | 160 | 2 | 0.5739 | 0.580 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2TaCuS4 | ICSD | 414271 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.3711 | 2.508 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaTi4(FeO4)3 | COD | 9006334 | Im3 (204) | ✔ | 20 | 154 | 3 | 0.0639 | 0.072 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2HgS2 | ICSD | 74500 | Pbcm (57) | ✔ | 20 | 168 | 1 | 2.2608 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAuF4 | COD | 1510144 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.9704 | 1.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiAs | COD | 9008949 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.4721 | 0.668 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TiGePt | ICSD | 188965 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.7725 | 1.701 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiIn(IO3)4 | ICSD | 422056 | P-1 (2) | ✔ | 18 | 116 | 2 | 3.3117 | 3.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3Sb | COD | 1010296 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.3606 | 0.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAl(SO4)2 | COD | 1011235 | P321 (150) | ✗ | 12 | 72 | 2 | 1.6616 | 1.732 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsI | COD | 9016261 | Pnma (62) | ✔ | 8 | 64 | 1 | 2.5201 | 2.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3Sb | COD | 1010292 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2556 | 0.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2PtBr6 | ICSD | 77381 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.9269 | 0.961 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnCSNF | ICSD | 2418 | Pnma (62) | ✔ | 20 | 144 | 2 | 2.7795 | 3.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScAlCO | ICSD | 426425 | P6_3mc (186) | ✗ | 8 | 48 | 3 | 1.205 | 2.325 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiB(CN)4 | COD | 4308584 | P-43m (215) | ✗ | 10 | 42 | 1 | 6.563 | 6.689 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrZrO3 | COD | 1528398 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.1899 | 3.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3TaO8 | ICSD | 73104 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0859 | 3.238 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NbBr3O | ICSD | 418089 | P-42_1m (113) | ✗ | 20 | 160 | 2 | 1.931 | 1.932 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaTiSiO5 | COD | 9001794 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.2315 | 3.237 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZrTlCuS3 | ICSD | 82560 | Cmcm (63) | ✔ | 12 | 92 | 3 | 0.6218 | 0.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiBr3 | COD | 8103606 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0253 | 2.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnPt(CN)4 | ICSD | 169758 | P4_2/mcm (132) | ✔ | 20 | 116 | 3 | 3.7624 | 3.764 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd3SiO5 | ICSD | 23170 | P4/nmm (129) | ✔ | 18 | 140 | 3 | 0.6298 | 0.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ta(TeCl3)2 | ICSD | 401907 | P-1 (2) | ✔ | 18 | 134 | 1 | 1.1359 | 1.136 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pd(PbBr3)2 | ICSD | 78874 | P2_1/c (14) | ✔ | 18 | 176 | 3 | 1.2748 | 1.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiSCl | COD | 8103601 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.2731 | 1.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Os(SeBr6)2 | ICSD | 182315 | C2/m (12) | ✔ | 15 | 112 | 2 | 0.2779 | 0.389 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbN9 | COD | 7106121 | P-1 (2) | ✔ | 20 | 100 | 1 | 2.5331 | 2.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CO2 | COD | 9015590 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 5.8337 | 5.985 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Y6PtI10 | ICSD | 424468 | P-1 (2) | ✔ | 17 | 146 | 3 | 0.5657 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrTl2S3 | COD | 7019865 | P2_1/m (11) | ✔ | 12 | 96 | 3 | 0.6608 | 0.670 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sb2S3 | COD | 9007243 | Pnma (62) | ✔ | 20 | 112 | 2 | 1.0863 | 1.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaH4IO2 | COD | 7202888 | P-1 (2) | ✔ | 16 | 64 | 1 | 3.603 | 3.603 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2GeSe3 | ICSD | 402719 | C2/m (12) | ✔ | 12 | 80 | 1 | 0.8322 | 0.906 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Te | ICSD | 36501 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.8757 | 1.876 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrHfO3 | COD | 1521390 | Pnma (62) | ✔ | 20 | 160 | 3 | 4.2339 | 4.290 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2CaGeO4 | ICSD | 19024 | I-42m (121) | ✗ | 8 | 44 | 1 | 4.5502 | 4.765 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2Sb2Pd | ICSD | 658702 | Cmcm (63) | ✔ | 10 | 92 | 3 | 0.6383 | 0.788 | 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 |
| Cs2Ni3S4 | ICSD | 627055 | Fmmm (69) | ✔ | 9 | 72 | 2 | 0.3986 | 0.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfSnS3 | ICSD | 65667 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.0307 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgTa2O6 | COD | 2002433 | P4_2/mnm (136) | ✔ | 18 | 144 | 3 | 2.9855 | 3.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 155241 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.4447 | 1.658 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Li2BeSiO4 | ICSD | 2319 | C222_1 (20) | ✗ | 16 | 76 | 1 | 5.8062 | 5.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaAlO2 | ICSD | 79404 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 3.9693 | 4.020 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006293 | P1 (1) | ✗ | 12 | 64 | 3 | 5.6723 | 5.719 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnSe2 | ICSD | 652213 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.6872 | 0.823 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2PtCl6 | COD | 1010238 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.745 | 1.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KTiPS5 | ICSD | 82262 | C2/m (12) | ✔ | 16 | 112 | 1 | 1.1891 | 1.275 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P4Os | ICSD | 647710 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.3925 | 1.534 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3SiO | ICSD | 413384 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.2124 | 0.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiSbO3 | COD | 1000141 | Pnna (52) | ✔ | 20 | 104 | 3 | 2.5446 | 2.545 | 0.000 | (0;000) | ✗ | 02/02/17 |