Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| HC2N3 | ICSD | 240778 | Cmc2_1 (36) | ✗ | 12 | 48 | 3 | 4.418 | 4.856 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na6S2ClO8F | ICSD | 52291 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.8534 | 4.856 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaPO4 | ICSD | 155445 | C222_1 (20) | ✗ | 12 | 84 | 3 | 4.8585 | 4.859 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2MgCl4 | ICSD | 69343 | Pbam (55) | ✔ | 14 | 112 | 1 | 4.8587 | 4.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KC2N3 | ICSD | 411930 | Pbcm (57) | ✔ | 24 | 128 | 1 | 4.8139 | 4.859 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H5SeNO3 | COD | 2208335 | P-1 (2) | ✔ | 20 | 68 | 1 | 4.7987 | 4.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3Mg2Cl7 | ICSD | 66828 | I4/mmm (139) | ✔ | 12 | 96 | 3 | 4.7144 | 4.868 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZrTlCdF7 | ICSD | 245784 | Cmcm (63) | ✔ | 20 | 156 | 3 | 4.8717 | 4.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGa(SiO3)2 | COD | 2009646 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7365 | 4.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaCO3 | ICSD | 161621 | Pmmn (59) | ✔ | 10 | 64 | 1 | 4.485 | 4.872 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiC2N3 | ICSD | 425113 | P2/c (13) | ✔ | 24 | 104 | 1 | 4.6615 | 4.874 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGa(SiO3)2 | COD | 9013865 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7408 | 4.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H4CN | COD | 2100665 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.7319 | 4.878 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BH8N | ICSD | 247614 | Pma2 (28) | ✗ | 20 | 32 | 1 | 4.1825 | 4.883 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li4CO4 | ICSD | 245393 | C2 (5) | ✗ | 9 | 40 | 2 | 4.5571 | 4.885 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaPN2 | ICSD | 411818 | I-42d (122) | ✗ | 8 | 48 | 3 | 4.7455 | 4.887 | 0.000 | (0;000) | ✗ | 07/10/16 |
| SrWO4 | ICSD | 184047 | I4_1/a (88) | ✔ | 12 | 124 | 1 | 4.8903 | 4.890 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Ba2Mg(BO3)2 | ICSD | 75986 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.8916 | 4.892 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NbSbF10 | COD | 4031238 | P-1 (2) | ✔ | 24 | 176 | 1 | 4.8912 | 4.896 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsSO2F | ICSD | 93076 | Pnma (62) | ✔ | 20 | 136 | 1 | 4.8904 | 4.899 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCl2 | COD | 1527182 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.8999 | 4.900 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KSb4F13 | ICSD | 4049 | I-4 (82) | ✗ | 18 | 120 | 2 | 4.6916 | 4.904 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2LiYCl6 | ICSD | 65731 | Fm-3m (225) | ✔ | 10 | 74 | 2 | 4.9066 | 4.907 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YOF | COD | 2106385 | R-3m (166) | ✔ | 6 | 48 | 3 | 4.9065 | 4.907 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr4Zn3F14 | COD | 4030525 | Cm (8) | ✗ | 21 | 174 | 2 | 4.8861 | 4.909 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaSiO3 | ICSD | 6245 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 4.7894 | 4.910 | 0.000 | (0;000) | ✗ | 21/03/17 |
| P4N6O | ICSD | 79420 | Pnnm (58) | ✔ | 22 | 112 | 3 | 4.74 | 4.924 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaMg3(CO3)4 | COD | 1000052 | R32 (155) | ✗ | 20 | 128 | 3 | 4.9206 | 4.930 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KZnB(H2Cl)2 | ICSD | 174294 | P2_1/m (11) | ✔ | 18 | 84 | 1 | 4.9323 | 4.932 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K(BH)3 | ICSD | 65507 | Fm-3m (225) | ✔ | 14 | 42 | 2 | 4.9336 | 4.934 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Si2N2O | ICSD | 98639 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.9363 | 4.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaPO4 | COD | 1518035 | P3_121 (152) | ✗ | 18 | 126 | 3 | 4.8416 | 4.939 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Mg(BeN)2 | ICSD | 413358 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 4.042 | 4.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YF3 | COD | 1011296 | Pm-3m (221) | ✔ | 12 | 96 | 3 | 4.7827 | 4.951 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaAl2(SiO4)2 | ICSD | 191252 | P-3 (147) | ✔ | 13 | 72 | 2 | 4.838 | 4.951 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KLi2(HO)3 | ICSD | 65148 | P2_1/m (11) | ✔ | 18 | 72 | 1 | 4.944 | 4.953 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2Be2PbF8 | ICSD | 9902 | R-3m (166) | ✔ | 13 | 96 | 1 | 4.8662 | 4.960 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbMgCl3 | ICSD | 4036 | P6_3/mmc (194) | ✔ | 20 | 160 | 3 | 4.9623 | 4.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2Si3O7 | COD | 9006345 | C2/c (15) | ✔ | 24 | 144 | 3 | 4.9635 | 4.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Y2Si2O7 | COD | 2013549 | C2/m (12) | ✔ | 11 | 72 | 3 | 4.9676 | 4.968 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaClO4 | COD | 2209646 | Pnma (62) | ✔ | 24 | 160 | 1 | 4.9383 | 4.968 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaTiF6 | ICSD | 33789 | R-3m (166) | ✔ | 8 | 64 | 1 | 4.8484 | 4.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaClO3 | COD | 1001127 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 4.8842 | 4.976 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2ZrF6 | COD | 2310345 | Cmcm (63) | ✔ | 18 | 128 | 1 | 4.9409 | 4.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCl | COD | 9008620 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.9154 | 4.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2BeB2O5 | COD | 2214424 | C2/c (15) | ✔ | 20 | 116 | 1 | 4.9414 | 4.981 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li4CO4 | ICSD | 245392 | Cm (8) | ✗ | 9 | 40 | 2 | 4.4214 | 4.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaH3CN4O | ICSD | 15874 | Pmma (51) | ✔ | 20 | 84 | 1 | 4.9832 | 4.985 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 4124047 | P4_2/mcm (132) | ✔ | 24 | 128 | 3 | 4.9866 | 4.987 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KAlH2CO5 | ICSD | 153303 | Cmcm (63) | ✔ | 20 | 96 | 2 | 4.9809 | 4.988 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CN2 | ICSD | 247676 | P-42_1m (113) | ✗ | 6 | 28 | 2 | 4.6848 | 4.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li5AlO4 | COD | 1528092 | Pmmn (59) | ✔ | 20 | 84 | 1 | 4.9075 | 4.995 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Mg(AlCl4)2 | ICSD | 62046 | C2/c (15) | ✔ | 22 | 144 | 2 | 4.9889 | 4.995 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Li2GeF6 | ICSD | 23406 | P4_2/mnm (136) | ✔ | 18 | 104 | 1 | 4.9968 | 4.997 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2BeSiO4 | COD | 9013066 | Pc (7) | ✗ | 16 | 76 | 3 | 4.9988 | 4.999 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaMg(SiO3)2 | COD | 1011057 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.0012 | 5.001 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCl | COD | 8103714 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.0035 | 5.004 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca3(BO3)2 | COD | 9009270 | R-3c (167) | ✔ | 22 | 144 | 1 | 5.0031 | 5.012 | 0.000 | (0;000) | ✗ | 07/08/17 |
| BaHClO | ICSD | 74721 | Pnma (62) | ✔ | 16 | 96 | 1 | 5.0229 | 5.024 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PHPb2F10 | ICSD | 419142 | P-1 (2) | ✔ | 14 | 104 | 2 | 4.8537 | 5.026 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TlB(CN)4 | COD | 4308590 | I4_1/a (88) | ✔ | 20 | 104 | 1 | 5.027 | 5.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li4CO4 | ICSD | 245388 | P-43m (215) | ✗ | 9 | 40 | 1 | 4.7041 | 5.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrCaB5H2ClO10 | ICSD | 91540 | P1 (1) | ✗ | 20 | 104 | 3 | 4.8485 | 5.036 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CBrN | ICSD | 31694 | Pmmn (59) | ✔ | 6 | 32 | 1 | 4.971 | 5.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaAlO2 | ICSD | 22216 | R-3m (166) | ✔ | 4 | 24 | 2 | 4.9533 | 5.037 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZnCO3F2 | COD | 1100122 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.0322 | 5.038 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg(C2N3)2 | ICSD | 411361 | Pnnm (58) | ✔ | 22 | 112 | 3 | 5.0384 | 5.038 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg(HO)2 | COD | 9003876 | P-3 (147) | ✔ | 15 | 72 | 2 | 5.0415 | 5.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrBrF | ICSD | 35392 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.0428 | 5.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H2CN4 | COD | 2006099 | P1 (1) | ✗ | 7 | 26 | 1 | 4.8806 | 5.045 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrHClO | ICSD | 407719 | P6_3mc (186) | ✗ | 8 | 48 | 1 | 5.0288 | 5.047 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | ICSD | 170510 | I4_122 (98) | ✗ | 12 | 64 | 3 | 5.05 | 5.050 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCl2 | ICSD | 51245 | P-4m2 (115) | ✗ | 3 | 24 | 2 | 4.679 | 5.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KLiSi2O5 | COD | 2101610 | P2_1 (4) | ✗ | 18 | 100 | 3 | 4.9846 | 5.054 | 0.000 | (0;000) | ✗ | 29/03/17 |
| BF2 | COD | 1510681 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaCO3 | COD | 2106394 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.9865 | 5.058 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaPO4 | ICSD | 155446 | C222_1 (20) | ✗ | 12 | 84 | 3 | 5.0653 | 5.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245390 | I-42m (121) | ✗ | 9 | 40 | 1 | 4.7493 | 5.069 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Na3MgP2HO8 | COD | 2004175 | P-1 (2) | ✔ | 15 | 96 | 3 | 5.0699 | 5.070 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HNF2 | ICSD | 404200 | Pca2_1 (29) | ✗ | 16 | 80 | 1 | 5.0387 | 5.072 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaMg(SiO3)2 | COD | 9000335 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.073 | 5.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H3C2O | COD | 2005623 | Fdd2 (43) | ✗ | 24 | 68 | 2 | 4.9086 | 5.077 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | COD | 9006297 | P1 (1) | ✗ | 12 | 64 | 3 | 5.0781 | 5.078 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sr2LiSiO4F | ICSD | 79805 | P2_1/m (11) | ✔ | 18 | 116 | 1 | 4.9851 | 5.080 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2SiO4 | COD | 9001573 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 5.08 | 5.081 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbP(OF3)2 | ICSD | 51535 | P-1 (2) | ✔ | 20 | 128 | 1 | 5.0835 | 5.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCdF3 | ICSD | 44788 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.1149 | 5.088 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgSiN2 | ICSD | 186509 | R-3m (166) | ✔ | 4 | 24 | 3 | 4.2341 | 5.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2NaYCl6 | ICSD | 245354 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 5.0966 | 5.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P4PtF12 | ICSD | 418726 | I-43m (217) | ✗ | 17 | 114 | 1 | 5.0854 | 5.098 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Y2Si2O7 | ICSD | 164147 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 5.0552 | 5.102 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KTeHOF4 | ICSD | 155199 | P2_1 (4) | ✗ | 16 | 100 | 1 | 4.8867 | 5.105 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Si2N2O | ICSD | 100776 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1086 | 5.109 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeH3Cl | ICSD | 62109 | Cmc2_1 (36) | ✗ | 10 | 28 | 1 | 4.9989 | 5.116 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AsPO4 | COD | 9009805 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.9731 | 5.116 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsGaP3HO10 | ICSD | 409692 | C2 (5) | ✗ | 16 | 98 | 3 | 5.0435 | 5.116 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SrZnF4 | COD | 1529059 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 5.1177 | 5.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn(PO3)2 | COD | 1007095 | C2/c (15) | ✔ | 18 | 116 | 3 | 5.08 | 5.119 | 0.000 | (0;000) | ✗ | 02/02/17 |