Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| LiClO4 | COD | 4313930 | Pnma (62) | ✔ | 24 | 136 | 1 | 6.3338 | 6.366 | 0.000 | (0;000) | ✗ | 04/08/17 |
| S5N5Cl | ICSD | 62528 | C2/c (15) | ✔ | 22 | 124 | 1 | 1.4462 | 1.448 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaClO4 | COD | 2209646 | Pnma (62) | ✔ | 24 | 160 | 1 | 4.9383 | 4.968 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NClO4 | COD | 9015684 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.6394 | 0.645 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NClO4 | COD | 9016196 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.002 | 0.332 | (0;000) | ✗ | 04/08/17 |
| NClO | ICSD | 411511 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.1735 | 2.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ClO2 | ICSD | 180778 | Pbca (61) | ✔ | 24 | 152 | 1 | 0.4052 | 0.405 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbClO4 | COD | 5910290 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.7097 | 3.729 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlClO4 | COD | 5910345 | Pnma (62) | ✔ | 24 | 176 | 1 | 3.2528 | 3.397 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Re2Mo3C | ICSD | 618337 | P4_132 (213) | ✗ | 24 | 304 | 3 | 0.0 | 0.000 | 0.729 | ? | ✗ | 04/08/17 |
| CN2 | COD | 4300179 | P2_1/c (14) | ✔ | 24 | 112 | 1 | 0.0 | 0.003 | 0.752 | (0;000) | ✗ | 04/08/17 |
| CN | COD | 2000225 | C2/c (15) | ✔ | 24 | 108 | 1 | 0.0 | 0.002 | 0.461 | (0;110) | ✗ | 04/08/17 |
| CSeN | COD | 4300548 | P2_12_12_1 (19) | ✗ | 24 | 120 | 1 | 2.4712 | 2.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg3Ga7Co2 | ICSD | 157364 | C2/c (15) | ✔ | 24 | 310 | 3 | 0.0 | 0.000 | 0.696 | (0;101) | ✗ | 04/08/17 |
| CO2 | ICSD | 166852 | R-3c (167) | ✔ | 24 | 128 | 1 | 6.6343 | 6.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CO2 | ICSD | 188892 | P2_12_12_1 (19) | ✗ | 24 | 128 | 3 | 3.1567 | 3.185 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Co2Mo3N | COD | 1532001 | P4_132 (213) | ✗ | 24 | 324 | 3 | 0.0 | 0.000 | 0.583 | ? | ✗ | 04/08/17 |
| NbCo2 | ICSD | 624286 | P6_3/mmc (194) | ✔ | 24 | 376 | 3 | 0.0 | 0.004 | 0.809 | (1;000) | ✗ | 04/08/17 |
| TaCo2 | ICSD | 625325 | P6_3/mmc (194) | ✔ | 24 | 376 | 3 | 0.0 | 0.000 | 0.793 | (0;000) | ✗ | 04/08/17 |
| NbCo3 | ICSD | 150944 | P6_3mc (186) | ✗ | 24 | 384 | 3 | 0.0 | 0.000 | 0.801 | ? | ✗ | 04/08/17 |
| Rb2CO3 | COD | 1527330 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.6921 | 3.692 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb2CO3 | ICSD | 414122 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.1677 | 3.168 | 0.000 | (0;000) | ✗ | 04/08/17 |
| VCo3 | ICSD | 625533 | P6_3/mmc (194) | ✔ | 24 | 384 | 3 | 0.0 | 0.002 | 0.988 | (1;000) | ✗ | 04/08/17 |
| Cs2CoO3 | ICSD | 6154 | Cmce (64) | ✔ | 24 | 212 | 1 | 0.0 | 0.001 | 0.560 | (0;000) | ✗ | 04/08/17 |
| CoGeTe | ICSD | 419780 | Pbca (61) | ✔ | 24 | 216 | 3 | 0.0 | 0.094 | 0.011 | (0;000) | ✗ | 04/08/17 |
| CoSI | COD | 9016371 | F-43m (216) | ✗ | 3 | 30 | 1 | 0.0 | 0.001 | 0.251 | ? | ✗ | 04/08/17 |
| K3CoO2 | ICSD | 73212 | Pnma (62) | ✔ | 24 | 224 | 1 | 0.0 | 0.009 | 0.038 | (0;000) | ✗ | 04/08/17 |
| Li6CoO4 | ICSD | 62688 | P4_2/nmc (137) | ✔ | 22 | 118 | 3 | 0.0 | 0.000 | 0.950 | (1;000) | ✗ | 04/08/17 |
| MnCoSb | ICSD | 157563 | Fm-3m (225) | ✔ | 24 | 296 | 3 | 0.0 | 0.000 | 0.727 | (1;000) | ✗ | 04/08/17 |
| CoMoO4 | ICSD | 23808 | C2/m (12) | ✔ | 24 | 220 | 3 | 0.0 | 0.006 | 0.690 | (1;000) | ✗ | 04/08/17 |
| Na3CoO2 | ICSD | 73211 | P4_2/mnm (136) | ✔ | 24 | 224 | 1 | 0.0 | 0.020 | 0.295 | (0;000) | ✗ | 04/08/17 |
| Rb3CoO2 | COD | 1532295 | Pnma (62) | ✔ | 24 | 224 | 1 | 0.0 | 0.003 | 0.119 | (1;000) | ✗ | 04/08/17 |
| CoPO4 | COD | 1529153 | Pnma (62) | ✔ | 24 | 184 | 3 | 0.0 | 0.061 | 0.041 | (0;000) | ✗ | 04/08/17 |
| CoSeO4 | ICSD | 25699 | Pnma (62) | ✔ | 24 | 188 | 3 | 0.0 | 0.000 | 0.436 | (0;101) | ✗ | 04/08/17 |
| CoPSe | ICSD | 624624 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.2418 | 0.316 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CoSbS | COD | 9004094 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.3684 | 0.396 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CoSbS | ICSD | 624863 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.2044 | 0.263 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfCr2 | ICSD | 626144 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.002 | 0.970 | (1;000) | ✗ | 04/08/17 |
| TiCr2 | COD | 1525360 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.002 | 0.951 | (1;000) | ✗ | 04/08/17 |
| ZrCr2 | ICSD | 108159 | P6_3/mmc (194) | ✔ | 24 | 256 | 3 | 0.0 | 0.002 | 0.932 | (1;000) | ✗ | 04/08/17 |
| Re2W3C | ICSD | 77384 | P4_132 (213) | ✗ | 24 | 472 | 3 | 0.0 | 0.001 | 0.702 | ? | ✗ | 04/08/17 |
| NaCrF4 | ICSD | 37108 | P2_1/c (14) | ✔ | 24 | 204 | 2 | 0.0 | 0.004 | 0.262 | (1;111) | ✗ | 04/08/17 |
| CrF5 | ICSD | 419661 | Pbcm (57) | ✔ | 24 | 196 | 1 | 0.0 | 0.001 | 0.466 | (0;000) | ✗ | 04/08/17 |
| Cr(HO)2 | COD | 9015967 | Pnnm (58) | ✔ | 10 | 56 | 3 | 0.0 | 0.001 | 0.376 | (0;000) | ✗ | 04/08/17 |
| CrHg5O6 | COD | 9004355 | C2/c (15) | ✔ | 24 | 220 | 3 | 1.055 | 1.166 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrHgO4 | ICSD | 2224 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 1.7041 | 1.705 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgCrO4 | COD | 1008086 | C2/m (12) | ✔ | 24 | 192 | 3 | 2.5602 | 2.610 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrPbO4 | COD | 9007486 | P2_1/c (14) | ✔ | 24 | 208 | 3 | 1.8083 | 1.903 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrPbO4 | COD | 9009515 | Pnma (62) | ✔ | 24 | 208 | 3 | 2.2197 | 2.237 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrWO4 | ICSD | 36213 | F222 (22) | ✗ | 24 | 264 | 3 | 0.0 | 0.000 | 0.694 | ? | ✗ | 04/08/17 |
| CrSbPt | ICSD | 626558 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.335 | ? | ✗ | 04/08/17 |
| Cs2Sb | COD | 1526333 | Pnma (62) | ✔ | 24 | 184 | 3 | 0.3786 | 0.493 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsCuS4 | ICSD | 402075 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.7745 | 1.793 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsCuSe4 | ICSD | 75195 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.1847 | 1.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsFeF4 | ICSD | 6043 | P4/nmm (129) | ✔ | 24 | 180 | 1 | 0.0 | 0.001 | 0.659 | (0;001) | ✗ | 04/08/17 |
| CsMnF4 | COD | 1527773 | P4/nmm (129) | ✔ | 24 | 208 | 1 | 0.0 | 0.001 | 0.436 | (0;000) | ✗ | 04/08/17 |
| CsTiF4 | COD | 1008151 | P4/nmm (129) | ✔ | 24 | 196 | 1 | 0.0 | 0.009 | 0.608 | (0;001) | ✗ | 04/08/17 |
| CsVF4 | ICSD | 167354 | Pmmn (59) | ✔ | 24 | 200 | 2 | 0.0 | 0.002 | 0.402 | (0;000) | ✗ | 04/08/17 |
| CsFeI4 | ICSD | 66811 | P2_1/c (14) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.462 | (1;111) | ✗ | 04/08/17 |
| CsInI4 | ICSD | 36602 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.1482 | 2.148 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsTlI4 | ICSD | 59110 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 1.2714 | 1.337 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsIO4 | COD | 1521182 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.2435 | 3.254 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsMnO4 | COD | 1521181 | Pnma (62) | ✔ | 24 | 192 | 1 | 2.339 | 2.372 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsReO4 | ICSD | 74505 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.7175 | 4.738 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsSO4 | COD | 9008020 | P2_1/c (14) | ✔ | 24 | 156 | 1 | 1.4623 | 1.462 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsV3O8 | ICSD | 50010 | P2_1/m (11) | ✔ | 24 | 192 | 1 | 2.1521 | 2.257 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbCu2I3 | ICSD | 150307 | Pnma (62) | ✔ | 24 | 208 | 1 | 1.9039 | 1.904 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cu3P | COD | 1010037 | P-3c1 (165) | ✔ | 24 | 228 | 3 | 0.0 | 0.003 | 0.377 | (1;000) | ✗ | 04/08/17 |
| Cu3P | COD | 4105295 | P6_3cm (185) | ✗ | 24 | 228 | 3 | 0.0 | 0.005 | 0.232 | ? | ✗ | 04/08/17 |
| K2(CuTe)5 | ICSD | 71204 | Cmcm (63) | ✔ | 24 | 206 | 1 | 0.0 | 0.000 | 0.992 | (1;000) | ✗ | 04/08/17 |
| NaCu5S3 | ICSD | 61514 | P6_322 (182) | ✗ | 18 | 164 | 3 | 0.0 | 0.000 | 0.127 | ? | ✗ | 04/08/17 |
| Cu7Te4 | ICSD | 43048 | P3m1 (156) | ✗ | 22 | 202 | 3 | 0.0 | 0.001 | 0.726 | ? | ✗ | 04/08/17 |
| YMg2Cu9 | ICSD | 245208 | P6_3/mmc (194) | ✔ | 24 | 260 | 3 | 0.0 | 0.002 | 0.515 | (1;000) | ✗ | 04/08/17 |
| Fe2CuS3 | COD | 9000065 | Pnma (62) | ✔ | 24 | 180 | 3 | 0.0 | 0.000 | 0.457 | (1;110) | ✗ | 04/08/17 |
| Fe2CuS3 | ICSD | 159383 | Pnma (62) | ✔ | 24 | 180 | 3 | 0.0 | 0.000 | 0.594 | (1;110) | ✗ | 04/08/17 |
| Tl2CuI3 | ICSD | 65962 | Pnnm (58) | ✔ | 24 | 232 | 3 | 1.2036 | 1.204 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YMg4Cu | ICSD | 419475 | Cmmm (65) | ✔ | 24 | 248 | 1 | 0.0 | 0.003 | 0.949 | (1;000) | ✗ | 04/08/17 |
| CuMoO4 | ICSD | 190443 | P-1 (2) | ✔ | 24 | 196 | 3 | 0.0 | 0.022 | 0.740 | (0;000) | ✗ | 04/08/17 |
| Rb3CuO2 | ICSD | 65446 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 1.4636 | 1.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CuSO4 | COD | 9009830 | Pnma (62) | ✔ | 24 | 164 | 3 | 0.0 | 0.000 | 0.272 | (0;101) | ✗ | 04/08/17 |
| CuSeO4 | ICSD | 109069 | Pnma (62) | ✔ | 24 | 164 | 3 | 0.0 | 0.000 | 0.314 | (0;101) | ✗ | 04/08/17 |
| CuTeO4 | COD | 2106504 | P2_1/c (14) | ✔ | 24 | 164 | 3 | 0.0 | 0.011 | 0.424 | (0;000) | ✗ | 04/08/17 |
| RbCuSe4 | ICSD | 404225 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.0816 | 1.103 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbSbF10 | COD | 4031238 | P-1 (2) | ✔ | 24 | 176 | 1 | 4.8912 | 4.896 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr4Zn3F14 | COD | 4030525 | Cm (8) | ✗ | 21 | 174 | 2 | 4.8861 | 4.909 | 0.000 | (0;000) | ✗ | 04/08/17 |
| OsO3F2 | ICSD | 73732 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 2.2427 | 2.305 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SnF2 | COD | 1523455 | C2/c (15) | ✔ | 24 | 224 | 3 | 3.1191 | 3.119 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MnF3 | ICSD | 19080 | C2/c (15) | ✔ | 8 | 72 | 3 | 0.0 | 0.021 | 0.280 | (0;000) | ✗ | 04/08/17 |
| MnF3 | ICSD | 73113 | C2/c (15) | ✔ | 24 | 216 | 3 | 0.0 | 0.007 | 0.231 | (1;000) | ✗ | 04/08/17 |
| MnNF3 | COD | 9016032 | Pbam (55) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.931 | (1;000) | ✗ | 04/08/17 |
| OsO2F3 | COD | 4332767 | Pc (7) | ✗ | 24 | 196 | 1 | 0.5633 | 0.583 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ReO2F3 | ICSD | 415421 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 3.5528 | 3.553 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YF3 | ICSD | 190472 | P-3c1 (165) | ✔ | 24 | 192 | 3 | 7.8345 | 7.835 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaFeF4 | COD | 1527271 | P2_1/c (14) | ✔ | 24 | 180 | 2 | 0.0 | 0.003 | 0.391 | (0;000) | ✗ | 04/08/17 |
| RbFeF4 | COD | 1525545 | Pbcm (57) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.225 | (0;100) | ✗ | 04/08/17 |
| RbFeF4 | ICSD | 85500 | P2_12_12 (18) | ✗ | 24 | 180 | 1 | 0.0 | 0.004 | 0.465 | ? | ✗ | 04/08/17 |
| H6OF4 | ICSD | 32569 | P-1 (2) | ✔ | 22 | 80 | 1 | 0.0 | 0.009 | 0.628 | (1;000) | ✗ | 04/08/17 |
| H7NF4 | ICSD | 38337 | R3c (161) | ✗ | 24 | 80 | 1 | 6.3595 | 6.400 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PHF4 | ICSD | 406358 | P2_1/c (14) | ✔ | 24 | 136 | 1 | 8.0586 | 8.095 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiInF4 | COD | 2000863 | Pbcn (60) | ✔ | 24 | 176 | 2 | 4.4823 | 4.482 | 0.000 | (0;000) | ✗ | 04/08/17 |