Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Hg | ICSD | 31091 | I-42d (122) | ✗ | 4 | 48 | 1 | 3.9013 | 3.933 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Rb2IN3 | ICSD | 202078 | P4/mbm (127) | ✔ | 12 | 80 | 1 | 3.9037 | 3.904 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2CO3 | COD | 9011304 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.9041 | 3.923 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(HO)2 | ICSD | 15167 | Pnma (62) | ✔ | 20 | 96 | 1 | 3.9041 | 4.028 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrC2(SN)2 | ICSD | 94427 | C2/c (15) | ✔ | 14 | 80 | 1 | 3.9047 | 3.934 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2YSbO6 | ICSD | 163373 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 3.9063 | 3.906 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiIO3 | ICSD | 80026 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.9069 | 3.948 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KBrO3 | ICSD | 47173 | R3m (160) | ✗ | 5 | 34 | 1 | 3.909 | 3.909 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2YTaO6 | COD | 2100266 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 3.9094 | 3.944 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg5(HO3)2 | COD | 1531159 | P-3m1 (164) | ✔ | 13 | 88 | 2 | 3.9109 | 3.911 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3Mo(OF)3 | ICSD | 97452 | R3 (146) | ✗ | 10 | 80 | 1 | 3.9124 | 4.098 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2MgFe(CN)6 | ICSD | 6086 | Fm-3m (225) | ✔ | 16 | 90 | 3 | 3.9146 | 4.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3GaO4F | ICSD | 50734 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 3.9186 | 4.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KSnSO4F | ICSD | 94532 | P-1 (2) | ✔ | 16 | 120 | 1 | 3.9195 | 4.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSO4 | COD | 2208366 | P-1 (2) | ✔ | 12 | 78 | 1 | 3.9204 | 3.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2Li2GeO4 | ICSD | 36532 | P-1 (2) | ✔ | 18 | 104 | 2 | 3.9221 | 4.022 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2CO3 | COD | 9009645 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.9261 | 3.926 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Y2Ga2Fe15 | ICSD | 631854 | R-3m (166) | ✔ | 19 | 168 | 3 | 3.9297 | 0.021 | 1.000 | (0;000) | ✗ | 22/03/17 |
| Ge(TeO3)2 | COD | 2017124 | P2_1/c (14) | ✔ | 18 | 104 | 3 | 3.9301 | 4.065 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PH4Br | ICSD | 23691 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.9308 | 4.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsGaBr4 | ICSD | 4037 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.931 | 3.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Cs2NaBiF6 | ICSD | 9382 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 3.9382 | 4.363 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiI | COD | 9008669 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.9399 | 3.940 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Al2Ge2O7 | COD | 1001676 | C2/c (15) | ✔ | 22 | 112 | 3 | 3.942 | 3.942 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2MgSiO4 | ICSD | 15619 | Pc (7) | ✗ | 16 | 112 | 3 | 3.9447 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
| BaSeO3 | ICSD | 54156 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.9448 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrHfO3 | ICSD | 161594 | P4mm (99) | ✗ | 5 | 40 | 3 | 3.9464 | 4.190 | 0.000 | (0;000) | ✗ | 29/11/16 |
| TlClO3 | ICSD | 76434 | R3m (160) | ✗ | 5 | 38 | 1 | 3.9476 | 4.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaTiF6 | COD | 1533036 | R-3m (166) | ✔ | 8 | 64 | 3 | 3.9477 | 3.948 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2NaVO4 | ICSD | 65963 | P2_1/m (11) | ✔ | 16 | 128 | 1 | 3.9489 | 4.047 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaWO4 | COD | 9009628 | I4_1/a (88) | ✔ | 12 | 124 | 1 | 3.949 | 3.949 | 0.000 | (0;000) | ✗ | 11/04/17 |
| LiScO2 | ICSD | 36124 | I4_1/amd (141) | ✔ | 8 | 52 | 3 | 3.951 | 3.968 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrHfO3 | ICSD | 89385 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 3.9522 | 3.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrHBr | COD | 9009182 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.9561 | 3.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrO2 | ICSD | 164736 | P4_2/nmc (137) | ✔ | 6 | 48 | 3 | 3.9588 | 4.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KAsF6 | COD | 2310606 | R-3m (166) | ✔ | 8 | 56 | 1 | 3.9593 | 3.959 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ga2HCl3 | COD | 4320174 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 3.9594 | 3.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
| P2CS2(OF)2 | COD | 2001345 | P2 (3) | ✗ | 18 | 104 | 1 | 3.9644 | 4.085 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Li5Cl3O | ICSD | 419852 | I4/mcm (140) | ✔ | 18 | 84 | 1 | 3.9676 | 4.045 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3CO3F | ICSD | 66028 | R-3c (167) | ✔ | 16 | 112 | 1 | 3.9679 | 3.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaP4N7 | ICSD | 410629 | C2/c (15) | ✔ | 24 | 128 | 3 | 3.9679 | 4.005 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AlTl2F5 | ICSD | 109365 | Cmcm (63) | ✔ | 16 | 128 | 1 | 3.9681 | 4.029 | 0.000 | (0;000) | ✗ | 30/01/17 |
| As2O3 | COD | 9014252 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 3.969 | 4.192 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NaAlO2 | ICSD | 79404 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 3.9693 | 4.020 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KAsO3 | COD | 4511752 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.9695 | 3.970 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Rb2LiVO4 | ICSD | 40218 | Cmc2_1 (36) | ✗ | 16 | 116 | 1 | 3.9707 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Hg(CN)2 | ICSD | 15896 | I-42d (122) | ✗ | 20 | 120 | 3 | 3.9723 | 4.059 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiH3I | ICSD | 65044 | P2_1/c (14) | ✔ | 20 | 56 | 1 | 3.9747 | 4.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2LiAsO4 | ICSD | 36644 | Cmc2_1 (36) | ✗ | 16 | 100 | 1 | 3.9754 | 4.015 | 0.000 | (0;000) | ✗ | 21/03/17 |
| PbF2 | COD | 2310346 | Pnma (62) | ✔ | 12 | 112 | 3 | 3.9763 | 4.204 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2NaTlF6 | ICSD | 22114 | Fm-3m (225) | ✔ | 10 | 82 | 2 | 3.9766 | 3.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaBr | COD | 9007464 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.9836 | 3.984 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaN6 | COD | 8103674 | P2_1/m (11) | ✔ | 14 | 80 | 1 | 3.9887 | 3.989 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2C2O | COD | 7054714 | P-1 (2) | ✔ | 20 | 64 | 1 | 3.9925 | 4.100 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2TaInO6 | ICSD | 188420 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.9979 | 3.998 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y3GaO6 | ICSD | 155086 | Cmc2_1 (36) | ✗ | 20 | 164 | 3 | 3.998 | 4.127 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Sr2TaGaO6 | COD | 2100516 | I4/m (87) | ✔ | 10 | 82 | 3 | 4.0011 | 4.001 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlTlF4 | COD | 1000222 | P4/mmm (123) | ✔ | 6 | 44 | 2 | 4.0014 | 4.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CsBrF6 | ICSD | 65712 | R-3 (148) | ✔ | 8 | 58 | 1 | 4.0018 | 4.002 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2C(NO)2 | ICSD | 245332 | P-3m1 (164) | ✔ | 7 | 48 | 3 | 4.0052 | 4.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlTlF4 | COD | 1000407 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 4.0057 | 4.006 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiAsO3 | COD | 1529820 | R-3 (148) | ✔ | 10 | 52 | 1 | 4.0057 | 4.210 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YSeO3F | ICSD | 251183 | P2_1/m (11) | ✔ | 12 | 84 | 3 | 4.006 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ge2N2O | ICSD | 169121 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.0068 | 4.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgO2 | ICSD | 41732 | Pa3 (205) | ✔ | 12 | 88 | 3 | 4.0101 | 4.130 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsBiF6 | COD | 1527499 | R-3 (148) | ✔ | 8 | 66 | 1 | 4.0108 | 4.011 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2TiF6 | COD | 1000167 | P4_2/mnm (136) | ✔ | 18 | 120 | 1 | 4.0121 | 4.012 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs(BH)3 | ICSD | 65508 | Fm-3m (225) | ✔ | 14 | 42 | 2 | 4.0127 | 4.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAsO2 | ICSD | 413150 | Pbcm (57) | ✔ | 16 | 104 | 1 | 4.0164 | 4.019 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2LiVO4 | ICSD | 65945 | C2/m (12) | ✔ | 16 | 116 | 1 | 4.0171 | 4.066 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsO2 | COD | 9007637 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.0181 | 4.167 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaSc(GeO3)2 | ICSD | 22503 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.0198 | 4.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2RbBiF6 | ICSD | 9384 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.0212 | 4.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiIn(SiO3)2 | COD | 9008457 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.0232 | 4.156 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca4Al6O13 | ICSD | 245370 | I-43m (217) | ✗ | 23 | 136 | 3 | 4.0244 | 4.073 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2KBiF6 | ICSD | 9383 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.0251 | 4.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2CdCl8 | ICSD | 62037 | Pc (7) | ✗ | 22 | 148 | 3 | 4.0271 | 4.029 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H2C3Cl | COD | 2006743 | P2_1/c (14) | ✔ | 24 | 84 | 1 | 4.0279 | 4.071 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PbF2 | COD | 9009027 | Fm-3m (225) | ✔ | 3 | 28 | 3 | 4.0292 | 4.173 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2Li3GaO4 | ICSD | 69491 | Ibam (72) | ✔ | 20 | 128 | 2 | 4.0292 | 4.029 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfCl4 | ICSD | 402054 | P2/c (13) | ✔ | 10 | 80 | 1 | 4.0299 | 4.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiBiF4 | ICSD | 65404 | I4_1/a (88) | ✔ | 12 | 92 | 3 | 4.0319 | 4.162 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgO | COD | 9006763 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 4.0329 | 4.033 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li7Br3O2 | ICSD | 67264 | I4/mmm (139) | ✔ | 12 | 54 | 1 | 4.0341 | 4.314 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbBrO3 | ICSD | 74768 | R3m (160) | ✗ | 5 | 34 | 1 | 4.0343 | 4.035 | 0.000 | (0;000) | ✗ | 06/10/16 |
| H4BrN | ICSD | 43300 | P-43m (215) | ✗ | 6 | 16 | 1 | 4.0345 | 4.035 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrHCl | COD | 9009183 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.0353 | 4.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiPN2 | ICSD | 32713 | I-42d (122) | ✗ | 8 | 36 | 3 | 4.0391 | 4.776 | 0.000 | (0;000) | ✗ | 07/10/16 |
| H4C4BrN | COD | 2003427 | C2/m (12) | ✔ | 20 | 64 | 2 | 4.0401 | 4.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCo(CO)4 | ICSD | 30854 | P-43m (215) | ✗ | 10 | 60 | 3 | 4.0417 | 4.042 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Mg(BeN)2 | ICSD | 413358 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 4.042 | 4.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SrSeO3 | ICSD | 419386 | Pnma (62) | ✔ | 20 | 136 | 1 | 4.0455 | 4.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H6C2SeO | COD | 2015142 | P-1 (2) | ✔ | 20 | 52 | 1 | 4.0465 | 4.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li3VO4 | COD | 1528868 | Pmn2_1 (31) | ✗ | 16 | 92 | 1 | 4.0483 | 4.077 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2LiCo(CN)6 | ICSD | 23204 | Fm-3m (225) | ✔ | 16 | 92 | 2 | 4.0485 | 4.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2SO3 | COD | 1010523 | P-3 (147) | ✔ | 12 | 84 | 1 | 4.0495 | 4.171 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BrF5 | ICSD | 31690 | Ccm2_1 (36) | ✗ | 12 | 84 | 1 | 4.0507 | 4.134 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2GeO3 | ICSD | 100403 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.0511 | 4.230 | 0.000 | (0;000) | ✗ | 06/10/16 |