Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pb2SO5 | COD | 9011421 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.9251 | 3.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlI3 | ICSD | 391247 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9254 | 2.928 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiCl3 | ICSD | 2866 | Pna2_1 (33) | ✗ | 16 | 144 | 1 | 2.926 | 3.001 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Al2CdS4 | ICSD | 67218 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.9268 | 2.969 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaBr2 | ICSD | 62665 | Pnna (52) | ✔ | 24 | 216 | 1 | 2.928 | 3.007 | 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 |
| Ge2N2O | ICSD | 200846 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9302 | 3.250 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs2NaBiCl6 | ICSD | 59195 | Fm-3m (225) | ✔ | 10 | 84 | 2 | 2.9309 | 3.206 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiAs2O7 | COD | 4030527 | C2/c (15) | ✔ | 20 | 128 | 3 | 2.933 | 3.166 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ca(AsO3)2 | ICSD | 77379 | P-31m (162) | ✔ | 9 | 56 | 2 | 2.9334 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Pb2OF2 | COD | 1523196 | P4_2/nmc (137) | ✔ | 20 | 192 | 3 | 2.9342 | 3.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2VBiO6 | ICSD | 50939 | Cmc2_1 (36) | ✗ | 20 | 168 | 1 | 2.9417 | 2.965 | 0.000 | (0;000) | ✗ | 21/03/17 |
| InPO4 | COD | 2310636 | Cmcm (63) | ✔ | 12 | 84 | 3 | 2.9447 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2SnO4 | ICSD | 27115 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.9448 | 3.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgGeO3 | COD | 9000961 | C2/c (15) | ✔ | 20 | 128 | 3 | 2.9465 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge2N2O | ICSD | 200839 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9473 | 3.241 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2CdWO6 | ICSD | 71840 | Pmm2 (25) | ✗ | 20 | 192 | 3 | 2.9479 | 3.050 | 0.000 | (0;000) | ✗ | 11/04/17 |
| K2CdN12 | ICSD | 31297 | C2/m (12) | ✔ | 15 | 90 | 1 | 2.9481 | 2.992 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H4C2NO2 | ICSD | 172054 | C2/m (12) | ✔ | 18 | 58 | 1 | 2.951 | 2.996 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnWO4 | COD | 2101675 | P2/c (13) | ✔ | 12 | 128 | 3 | 2.9526 | 2.975 | 0.000 | (0;000) | ✗ | 11/04/17 |
| H5C4N3 | COD | 2207775 | C2/c (15) | ✔ | 24 | 72 | 1 | 2.9527 | 2.971 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiS2 | ICSD | 16952 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.9532 | 3.090 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaIn(SiO3)2 | COD | 9003413 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.9551 | 3.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge2N2O | ICSD | 200843 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9558 | 3.277 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiH5C5N2O5 | COD | 2200233 | P1 (1) | ✗ | 18 | 68 | 1 | 2.9567 | 3.022 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba2WO3F4 | ICSD | 201653 | Cc (9) | ✗ | 20 | 188 | 1 | 2.9569 | 2.976 | 0.000 | (0;000) | ✗ | 11/04/17 |
| YVO4 | COD | 9009764 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.9575 | 2.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KNa2BO3 | ICSD | 33261 | Pmmn (59) | ✔ | 14 | 96 | 1 | 2.9589 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CdCO3 | COD | 9000100 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.9606 | 3.873 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbIO4 | COD | 1521183 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.9615 | 2.980 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2MgCr2(H2O5)2 | ICSD | 96781 | P-1 (2) | ✔ | 19 | 120 | 2 | 2.9615 | 2.991 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3TiF7 | COD | 1531504 | P4/mbm (127) | ✔ | 22 | 176 | 1 | 2.9617 | 2.962 | 0.000 | (0;000) | ✗ | 07/08/17 |
| BaPb2BrF5 | ICSD | 411087 | P4/nmm (129) | ✔ | 18 | 160 | 1 | 2.9629 | 3.107 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgGeN2 | ICSD | 636948 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 2.9643 | 3.177 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TeO2 | ICSD | 62897 | P4_32_12 (96) | ✗ | 12 | 72 | 3 | 2.9657 | 3.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlBiO3 | ICSD | 185508 | R3c (161) | ✗ | 10 | 52 | 3 | 2.9662 | 2.992 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li6WN4 | ICSD | 153620 | P4_2/nmc (137) | ✔ | 22 | 132 | 1 | 2.9707 | 3.006 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AlCdCl4 | ICSD | 59173 | P-1 (2) | ✔ | 12 | 86 | 2 | 2.972 | 3.200 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SnPCl9 | ICSD | 60094 | Cmme (67) | ✔ | 22 | 164 | 1 | 2.9724 | 3.002 | 0.000 | (0;000) | ✗ | 07/08/17 |
| ZnF2 | ICSD | 20364 | Pbcn (60) | ✔ | 12 | 104 | 3 | 2.9733 | 2.973 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaI2 | COD | 1527184 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.9738 | 2.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3PS3O | ICSD | 98651 | Cmc2_1 (36) | ✗ | 16 | 112 | 1 | 2.9751 | 2.975 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Y3Tl5 | ICSD | 653335 | Cmcm (63) | ✔ | 16 | 196 | 3 | 2.9751 | 0.014 | 1.000 | (0;000) | ✗ | 29/03/17 |
| AsHPbO4 | ICSD | 29552 | P2/c (13) | ✔ | 14 | 88 | 3 | 2.9786 | 2.979 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SnCl2 | COD | 2310517 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.9786 | 3.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrZrO3 | COD | 1521389 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.9809 | 2.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaBiF6 | COD | 1527497 | R-3 (148) | ✔ | 8 | 66 | 1 | 2.9849 | 3.074 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgTa2O6 | COD | 2002433 | P4_2/mnm (136) | ✔ | 18 | 144 | 3 | 2.9855 | 3.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiBO3 | COD | 7209481 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.9857 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCSeN | ICSD | 23951 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9858 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KHg2S(ClO)3 | ICSD | 419259 | Cmc2_1 (36) | ✗ | 20 | 156 | 1 | 2.9864 | 3.223 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Y3SbO7 | ICSD | 174071 | Cmcm (63) | ✔ | 22 | 160 | 3 | 2.9866 | 3.270 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CsNb(PO4)2 | ICSD | 88870 | C2/m (12) | ✔ | 12 | 80 | 2 | 2.9869 | 3.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K4GeO4 | ICSD | 37271 | P-1 (2) | ✔ | 18 | 128 | 1 | 2.9874 | 3.055 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2SnO4 | ICSD | 150385 | Cmce (64) | ✔ | 14 | 116 | 2 | 2.9875 | 3.009 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PH8C4N3O4 | COD | 2221677 | P1 (1) | ✗ | 20 | 68 | 1 | 2.9893 | 3.073 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba2SrTeO6 | ICSD | 246109 | R-3 (148) | ✔ | 10 | 72 | 3 | 2.991 | 3.038 | 0.000 | (0;000) | ✗ | 05/01/17 |
| HgH4C2(N2Cl)2 | ICSD | 405834 | P1 (1) | ✗ | 13 | 58 | 2 | 2.994 | 3.054 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaReH9 | ICSD | 75460 | P6_3/mmc (194) | ✔ | 22 | 68 | 1 | 2.9946 | 2.995 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiH | COD | 9008668 | Fm-3m (225) | ✔ | 2 | 4 | 1 | 2.9949 | 2.995 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgClO4 | ICSD | 290704 | Pnma (62) | ✔ | 24 | 168 | 3 | 2.995 | 2.995 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnSnF6 | ICSD | 25012 | R-3 (148) | ✔ | 8 | 68 | 3 | 2.9957 | 3.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 169697 | R3c (161) | ✗ | 10 | 68 | 3 | 2.9964 | 3.103 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdSnF6 | ICSD | 25017 | R-3 (148) | ✔ | 8 | 68 | 3 | 2.997 | 3.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd2P2O7 | COD | 2208748 | P-1 (2) | ✔ | 22 | 152 | 3 | 2.9988 | 3.347 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na3VSO3 | ICSD | 419401 | R3c (161) | ✗ | 16 | 128 | 1 | 2.9992 | 2.999 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiIO3 | COD | 1529780 | Pna2_1 (33) | ✗ | 20 | 112 | 1 | 2.9993 | 3.003 | 0.000 | (0;000) | ✗ | 29/03/17 |
| HCO | COD | 7100673 | Pc (7) | ✗ | 24 | 88 | 1 | 3.0002 | 3.069 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaBiClO2 | ICSD | 79532 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.0027 | 3.028 | 0.000 | (0;000) | ✗ | 02/02/17 |
| La2O3 | ICSD | 56166 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 3.0056 | 3.250 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiAsO4 | COD | 9011234 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.0064 | 3.123 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ge2N2O | ICSD | 200841 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0081 | 3.306 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaHO | ICSD | 61045 | Cmcm (63) | ✔ | 6 | 32 | 1 | 3.0099 | 3.010 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgBF4 | COD | 1509210 | Pnma (62) | ✔ | 24 | 168 | 3 | 3.0125 | 3.013 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb3NbO8 | ICSD | 407327 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0135 | 3.184 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Ba2SrWO6 | ICSD | 246115 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.0139 | 3.014 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AgClO3 | COD | 8103389 | I4/m (87) | ✔ | 20 | 144 | 3 | 3.0144 | 3.202 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CSCl2O | COD | 7050458 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 3.0161 | 3.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGa4O7 | COD | 2002230 | C2/c (15) | ✔ | 24 | 208 | 3 | 3.0163 | 3.016 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na4GeO4 | ICSD | 61496 | P-1 (2) | ✔ | 18 | 128 | 1 | 3.0167 | 3.101 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GeBr4 | COD | 8102926 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 3.0218 | 3.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(AlSe2)2 | ICSD | 609319 | Cccm (66) | ✔ | 14 | 80 | 1 | 3.0219 | 3.024 | 0.000 | (0;000) | ✗ | 30/01/17 |
| ReHgO4 | ICSD | 74885 | P2_1/c (14) | ✔ | 24 | 204 | 3 | 3.022 | 3.022 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TeO2 | COD | 1520934 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 3.0222 | 3.190 | 0.000 | (0;000) | ✗ | 15/02/17 |
| V2Pb(OF4)2 | ICSD | 424541 | P-1 (2) | ✔ | 13 | 108 | 2 | 3.0226 | 3.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
| OsO4 | ICSD | 23803 | C2/c (15) | ✔ | 10 | 80 | 1 | 3.023 | 3.060 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2MoSO3 | ICSD | 423989 | C2/m (12) | ✔ | 14 | 112 | 1 | 3.0263 | 3.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BeS | ICSD | 183373 | F-43m (216) | ✗ | 2 | 10 | 1 | 3.0264 | 5.598 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSiN2 | COD | 4311195 | Cmce (64) | ✔ | 16 | 96 | 1 | 3.0265 | 3.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrZrO3 | ICSD | 89362 | I4/mcm (140) | ✔ | 10 | 64 | 3 | 3.0289 | 3.029 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaInBr3 | ICSD | 54138 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.0299 | 3.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnSiN2 | ICSD | 656276 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 3.0312 | 3.502 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AlH3 | COD | 4307206 | Pnnm (58) | ✔ | 24 | 36 | 3 | 3.0316 | 3.383 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Zn(IO3)2 | ICSD | 54086 | P2_1 (4) | ✗ | 18 | 124 | 3 | 3.0326 | 3.175 | 0.000 | (0;000) | ✗ | 29/03/17 |
| GaHgCl4 | ICSD | 413579 | P-1 (2) | ✔ | 12 | 106 | 2 | 3.0339 | 3.159 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2MoO4 | COD | 2009101 | P-3m1 (164) | ✔ | 14 | 128 | 3 | 3.034 | 3.116 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge2N2O | ICSD | 34793 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0353 | 3.257 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2SnO4 | COD | 1529022 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.0356 | 3.056 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnTeMoO6 | ICSD | 250523 | P2_12_12 (18) | ✗ | 18 | 136 | 2 | 3.0362 | 3.097 | 0.000 | (0;000) | ✗ | 29/03/17 |
| InGaBr4 | ICSD | 69652 | P2/c (13) | ✔ | 24 | 216 | 2 | 3.0369 | 3.128 | 0.000 | (0;000) | ✗ | 04/08/17 |