Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Zn(PO3)2 | COD | 1007095 | C2/c (15) | ✔ | 18 | 116 | 3 | 5.08 | 5.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2P7Cl | ICSD | 426193 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.3959 | 1.770 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2HBrO | ICSD | 78734 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.7379 | 3.738 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2CdSe4 | ICSD | 606347 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 1.4954 | 1.495 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba2YAg5S6 | ICSD | 659302 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.1178 | 1.328 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CaInBr3 | ICSD | 54138 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.0299 | 3.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiBi(PdO2)2 | COD | 1000075 | P4/nmm (129) | ✔ | 16 | 156 | 3 | 0.3386 | 0.881 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3SrNb2O9 | ICSD | 186191 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 0.8567 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3As | COD | 1010297 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.1714 | 0.204 | 0.000 | (0;000) | ✗ | 30/01/17 |
| As2S3 | COD | 9015549 | P-1 (2) | ✔ | 20 | 112 | 1 | 1.7681 | 2.000 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiGa(SiO3)2 | COD | 2009646 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7365 | 4.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SiP2 | COD | 1008522 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.3238 | 1.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSeO3 | COD | 2009816 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.3067 | 3.472 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCdS2 | ICSD | 66655 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.8142 | 1.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScIO | ICSD | 419335 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.8352 | 1.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlV2AgO6 | ICSD | 201934 | C2/c (15) | ✔ | 20 | 172 | 3 | 2.1923 | 2.201 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsSnI3 | COD | 4117958 | P4/mbm (127) | ✔ | 10 | 88 | 3 | 0.0575 | 0.058 | 0.000 | (1;001) | ✗ | 02/02/17 |
| Na2SnF6 | ICSD | 68980 | P4_2/mnm (136) | ✔ | 18 | 148 | 1 | 5.5275 | 5.528 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNaMo(OF2)2 | ICSD | 422707 | P4/nmm (129) | ✔ | 18 | 144 | 1 | 0.1915 | 0.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgMoH2O5 | ICSD | 202695 | P-1 (2) | ✔ | 18 | 112 | 3 | 4.2496 | 4.341 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgPS3 | ICSD | 642729 | C2/m (12) | ✔ | 10 | 66 | 2 | 2.4505 | 2.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3TlF6 | COD | 1529657 | I4/mmm (139) | ✔ | 10 | 82 | 1 | 2.5253 | 3.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb(CO)4 | ICSD | 248144 | I4_1/amd (141) | ✔ | 18 | 108 | 3 | 3.0547 | 3.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsCl3O | ICSD | 411196 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 2.8211 | 2.897 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsMgI3 | ICSD | 87262 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 3.1028 | 3.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2Al2O3F2 | ICSD | 421736 | C2/m (12) | ✔ | 18 | 112 | 2 | 4.135 | 4.135 | 0.000 | (0;000) | ✗ | 30/01/17 |
| PbBr2 | COD | 9009196 | Pnma (62) | ✔ | 12 | 112 | 2 | 2.537 | 2.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaBr3 | ICSD | 413456 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 3.2077 | 3.208 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSbO3 | COD | 4124538 | Pnma (62) | ✔ | 20 | 128 | 3 | 1.567 | 1.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Te6RhBr3 | ICSD | 423669 | R-3c (167) | ✔ | 20 | 148 | 3 | 0.7889 | 0.927 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YScO3 | ICSD | 237285 | Pnma (62) | ✔ | 20 | 160 | 3 | 4.5155 | 4.516 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCaSi | ICSD | 52682 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0365 | 0.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrBiBrO2 | ICSD | 97509 | Cmcm (63) | ✔ | 10 | 88 | 1 | 2.8751 | 3.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K4Br2O | ICSD | 68505 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.0113 | 1.011 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3AlF6 | COD | 9006163 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 6.5845 | 6.614 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiAuI4 | COD | 1510187 | P2_1/c (14) | ✔ | 12 | 84 | 1 | 0.4995 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCaPb | ICSD | 615799 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0423 | 0.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlTl2F5 | ICSD | 109365 | Cmcm (63) | ✔ | 16 | 128 | 1 | 3.9681 | 4.029 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbLiBr2 | ICSD | 30719 | Cmcm (63) | ✔ | 8 | 52 | 1 | 4.3123 | 4.312 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg3TeO6 | ICSD | 6309 | R-3 (148) | ✔ | 20 | 144 | 3 | 3.7139 | 3.936 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2ZnH4(SeO5)2 | ICSD | 98685 | P-1 (2) | ✔ | 19 | 106 | 2 | 3.678 | 3.780 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3SiO | ICSD | 413382 | Imma (74) | ✔ | 10 | 80 | 1 | 0.0436 | 0.044 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As2Ir | COD | 9009907 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.92 | 0.945 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SrLiAs | COD | 4335613 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.996 | 0.996 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs2As3 | ICSD | 409382 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.4415 | 0.442 | 0.000 | (0;000) | ✗ | 30/01/17 |
| C2S2O | COD | 2008373 | P2_1/c (14) | ✔ | 20 | 104 | 2 | 2.5413 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2Si4O11 | COD | 1530328 | P-1 (2) | ✔ | 17 | 88 | 2 | 2.3592 | 2.359 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Hg | ICSD | 15902 | P2_1/c (14) | ✔ | 6 | 72 | 3 | 1.6952 | 1.722 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KReO4 | COD | 2106705 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.3067 | 4.307 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P3Ir | ICSD | 23713 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.1726 | 0.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2P3 | ICSD | 33260 | Fddd (70) | ✔ | 20 | 132 | 1 | 1.0357 | 1.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdI2 | ICSD | 42209 | P3m1 (156) | ✗ | 15 | 130 | 1 | 1.9483 | 2.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 42255 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9404 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 44795 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.991 | 2.171 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ClO3 | ICSD | 61334 | Cc (9) | ✗ | 16 | 100 | 1 | 1.0463 | 1.055 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CO | ICSD | 40937 | R3c (161) | ✗ | 16 | 80 | 1 | 5.0941 | 5.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
| IOF3 | ICSD | 4076 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 3.7853 | 3.792 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Sr3Sc2Cu2S2O5 | ICSD | 88425 | I4/mmm (139) | ✔ | 14 | 116 | 1 | 1.5845 | 1.585 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CuI | COD | 9013921 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.01 | 0.010 | 0.000 | (1;000) | ✗ | 22/03/17 |
| Rb2GeF6 | ICSD | 25662 | P6_3mc (186) | ✗ | 18 | 128 | 1 | 5.3917 | 5.392 | 0.000 | (0;000) | ✗ | 22/03/17 |
| P4PtF12 | ICSD | 418726 | I-43m (217) | ✗ | 17 | 114 | 1 | 5.0854 | 5.098 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TeOF2 | COD | 1521091 | P2_1 (4) | ✗ | 16 | 104 | 3 | 3.8393 | 3.841 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2GeF6 | ICSD | 30310 | P6_3mc (186) | ✗ | 18 | 128 | 1 | 6.296 | 6.296 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCu2GeS4 | ICSD | 627793 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.677 | 0.677 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCu2SiSe4 | ICSD | 629079 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6565 | 0.657 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaI(OF)2 | COD | 2016692 | Cmcm (63) | ✔ | 12 | 84 | 1 | 4.7043 | 4.786 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsSnI3 | ICSD | 69996 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.219 | 0.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SeOF2 | COD | 4031233 | Pca2_1 (29) | ✗ | 16 | 104 | 1 | 4.1822 | 4.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TeF4 | ICSD | 85452 | P2_12_12_1 (19) | ✗ | 20 | 136 | 2 | 4.2126 | 4.283 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsI | COD | 9008790 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.7608 | 3.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MgCu2GeS4 | ICSD | 425555 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.0352 | 1.035 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsSO3 | COD | 1530294 | P6_3mc (186) | ✗ | 20 | 132 | 1 | 5.8133 | 5.813 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cu2SnHgS4 | ICSD | 627929 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0081 | 0.008 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Cs4KLiFe2F12 | ICSD | 78928 | R-3m (166) | ✔ | 20 | 148 | 1 | 0.0021 | 0.004 | 0.000 | (0;111) | ✗ | 22/03/17 |
| ZnCu2SnS4 | ICSD | 185597 | Pmn2_1 (31) | ✗ | 16 | 144 | 3 | 0.6953 | 0.695 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsH3O2 | COD | 2012559 | I4_1/amd (141) | ✔ | 12 | 48 | 3 | 4.5945 | 4.737 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnSi(CuTe2)2 | ICSD | 656150 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0426 | 0.052 | 0.000 | (0;000) | ✔ | 22/03/17 |
| GaCuTe2 | ICSD | 74456 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.396 | 0.396 | 0.000 | (0;000) | ✔ | 22/03/17 |
| CuI | ICSD | 30363 | P3m1 (156) | ✗ | 12 | 108 | 1 | 1.4688 | 1.469 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsSiTe3 | ICSD | 61397 | Cc (9) | ✗ | 20 | 124 | 1 | 1.0584 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2CuP | ICSD | 61082 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.118 | 1.194 | 0.000 | (0;000) | ✗ | 22/03/17 |
| GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Hg3(SF)2 | COD | 1528807 | I2_13 (199) | ✗ | 14 | 124 | 3 | 1.9735 | 2.193 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PHF2 | ICSD | 406360 | P2_12_12_1 (19) | ✗ | 16 | 80 | 1 | 3.7561 | 3.781 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs3TaO8 | ICSD | 30408 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.7678 | 1.807 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsSb4F13 | COD | 5910189 | I4/m (87) | ✔ | 18 | 120 | 3 | 2.4393 | 2.443 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KTeHOF4 | ICSD | 155199 | P2_1 (4) | ✗ | 16 | 100 | 1 | 4.8867 | 5.105 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SeF4 | ICSD | 85451 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 4.7305 | 4.799 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TeH2NF5 | ICSD | 171449 | P2_1 (4) | ✗ | 18 | 96 | 1 | 3.0378 | 3.109 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2Hg3S4 | COD | 4002165 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.8841 | 1.884 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2OsNCl5 | ICSD | 43729 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 1.9726 | 1.973 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2NbCuSe4 | ICSD | 84306 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6663 | 2.025 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Pb(ClO3)2 | ICSD | 40286 | Fdd2 (43) | ✗ | 18 | 128 | 3 | 3.7072 | 3.713 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaCa(CO3)2 | COD | 5910095 | P2_1 (4) | ✗ | 20 | 128 | 1 | 2.2809 | 2.293 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CsPbI3 | COD | 4335639 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8656 | 1.893 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2LiVS4 | ICSD | 414186 | Fddd (70) | ✔ | 16 | 116 | 1 | 1.5915 | 1.592 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiCu2HgS4 | ICSD | 627928 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6297 | 0.630 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MgCu2SiSe4 | ICSD | 425556 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 0.9391 | 0.939 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsSnI3 | COD | 4117956 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8777 | 1.938 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnSi(CuS2)2 | ICSD | 628866 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.3074 | 1.308 | 0.000 | (0;000) | ✗ | 22/03/17 |