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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2SnO4 | COD | 1529022 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.0356 | 3.056 | 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 |
| NaYS2 | COD | 2019542 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.241 | 3.060 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrSiN2 | COD | 4343851 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9169 | 3.060 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KGeNO | ICSD | 60002 | Pca2_1 (29) | ✗ | 16 | 96 | 1 | 3.0607 | 3.061 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Na2PS3 | ICSD | 426907 | C2/m (12) | ✔ | 12 | 82 | 1 | 2.7557 | 3.066 | 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 |
| HCO | COD | 7100673 | Pc (7) | ✗ | 24 | 88 | 1 | 3.0002 | 3.069 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | ICSD | 167130 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0567 | 3.070 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsNb(PO4)2 | ICSD | 88870 | C2/m (12) | ✔ | 12 | 80 | 2 | 2.9869 | 3.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KVO3 | COD | 1527491 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.0491 | 3.071 | 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 |
| NaGaO2 | ICSD | 36652 | Pna2_1 (33) | ✗ | 16 | 136 | 3 | 3.0736 | 3.074 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaBiF6 | COD | 1527497 | R-3 (148) | ✔ | 8 | 66 | 1 | 2.9849 | 3.074 | 0.000 | (0;000) | ✗ | 05/01/17 |
| H4BrN | ICSD | 27724 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.0741 | 3.074 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K4CO4 | ICSD | 245426 | Cm (8) | ✗ | 9 | 64 | 3 | 2.9078 | 3.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Mg2VBiO6 | ICSD | 90908 | Cmcm (63) | ✔ | 20 | 168 | 3 | 3.0454 | 3.076 | 0.000 | (0;000) | ✗ | 07/08/17 |
| BiF3 | ICSD | 24522 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 2.9096 | 3.077 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2Nb2O7 | COD | 2106522 | Cmc2_1 (36) | ✗ | 22 | 176 | 2 | 2.8766 | 3.077 | 0.000 | (0;000) | ✗ | 07/08/17 |
| RbI | ICSD | 61523 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.0742 | 3.078 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KNO3 | COD | 9012754 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.0758 | 3.078 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SN | ICSD | 37353 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 2.8674 | 3.081 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KSc(MoO4)2 | ICSD | 28019 | P-3m1 (164) | ✔ | 12 | 96 | 3 | 3.0812 | 3.081 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaNbO3 | ICSD | 9645 | R3c (161) | ✗ | 10 | 80 | 3 | 3.0821 | 3.082 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlHCO2 | ICSD | 110364 | Pnna (52) | ✔ | 20 | 120 | 1 | 3.0824 | 3.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2BiAsO6 | ICSD | 91475 | Cmc2_1 (36) | ✗ | 20 | 152 | 1 | 3.0653 | 3.083 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaC2 | ICSD | 66663 | P-1 (2) | ✔ | 6 | 36 | 1 | 2.4633 | 3.084 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNO3 | ICSD | 260602 | R3m (160) | ✗ | 5 | 32 | 1 | 3.0852 | 3.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaGeN2 | ICSD | 23523 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.0865 | 3.087 | 0.000 | (0;000) | ✗ | 07/10/16 |
| CSCl2O | COD | 7050458 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 3.0161 | 3.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SiS3 | ICSD | 409176 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.0578 | 3.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiS2 | ICSD | 16952 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.9532 | 3.090 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdSO4 | ICSD | 60571 | Cmcm (63) | ✔ | 12 | 84 | 3 | 2.6303 | 3.091 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSiN2 | COD | 4311195 | Cmce (64) | ✔ | 16 | 96 | 1 | 3.0265 | 3.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbPO5 | COD | 1530584 | C2/c (15) | ✔ | 14 | 80 | 3 | 3.0941 | 3.094 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2Ti2O7 | COD | 4030878 | Fd-3m (227) | ✔ | 22 | 176 | 3 | 3.0961 | 3.096 | 0.000 | (0;000) | ✗ | 07/08/17 |
| ZnTeMoO6 | ICSD | 250523 | P2_12_12 (18) | ✗ | 18 | 136 | 2 | 3.0362 | 3.097 | 0.000 | (0;000) | ✗ | 29/03/17 |
| MgGeO3 | COD | 9000961 | C2/c (15) | ✔ | 20 | 128 | 3 | 2.9465 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HPbClO | COD | 9008250 | Pnma (62) | ✔ | 16 | 112 | 1 | 3.0497 | 3.098 | 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 |
| Ba2CaTeO6 | ICSD | 246112 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 3.1007 | 3.101 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na4GeO4 | ICSD | 61496 | P-1 (2) | ✔ | 18 | 128 | 1 | 3.0167 | 3.101 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H3C2N | COD | 5000306 | P-1 (2) | ✔ | 24 | 64 | 1 | 3.0551 | 3.102 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | ICSD | 169697 | R3c (161) | ✗ | 10 | 68 | 3 | 2.9964 | 3.103 | 0.000 | (0;000) | ✗ | 06/10/16 |
| In2Si2O7 | COD | 8101227 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.1038 | 3.104 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr4I6O | COD | 2200256 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 3.1042 | 3.104 | 0.000 | (0;000) | ✗ | 07/08/17 |
| NaLiS | ICSD | 61091 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.1045 | 3.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb3TaO8 | ICSD | 150280 | I-42m (121) | ✗ | 12 | 88 | 1 | 2.9156 | 3.105 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Ga2O3 | ICSD | 27431 | R-3c (167) | ✔ | 10 | 88 | 3 | 2.8601 | 3.106 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaPb2BrF5 | ICSD | 411087 | P4/nmm (129) | ✔ | 18 | 160 | 1 | 2.9629 | 3.107 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li7SbO6 | COD | 7221349 | R3 (146) | ✗ | 14 | 62 | 1 | 3.0683 | 3.108 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MgH4(ClO5)2 | COD | 2104833 | C2/m (12) | ✔ | 17 | 88 | 2 | 3.083 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TeH2NF5 | ICSD | 171449 | P2_1 (4) | ✗ | 18 | 96 | 1 | 3.0378 | 3.109 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CaH2 | ICSD | 157943 | P6_3/mmc (194) | ✔ | 6 | 24 | 1 | 1.1892 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgCN | ICSD | 85783 | R3m (160) | ✗ | 3 | 20 | 1 | 2.5177 | 3.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgH4CN4 | COD | 2203531 | P-1 (2) | ✔ | 20 | 78 | 3 | 2.7572 | 3.110 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2C(NO)2 | ICSD | 245333 | P6_3/mmc (194) | ✔ | 14 | 96 | 3 | 2.8762 | 3.111 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2AgCl3 | COD | 2310063 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.1119 | 3.112 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb4PbBr6 | ICSD | 65300 | R-3c (167) | ✔ | 22 | 184 | 1 | 3.1013 | 3.112 | 0.000 | (0;000) | ✗ | 07/08/17 |
| SiC | ICSD | 38150 | P3m1 (156) | ✗ | 20 | 80 | 3 | 1.999 | 3.114 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SbClF8 | COD | 1533112 | P-1 (2) | ✔ | 20 | 136 | 1 | 3.0697 | 3.115 | 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 |
| VInO4 | COD | 4336635 | Cmcm (63) | ✔ | 12 | 100 | 3 | 3.1178 | 3.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnF2 | COD | 1523455 | C2/c (15) | ✔ | 24 | 224 | 3 | 3.1191 | 3.119 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PbSO3 | ICSD | 35360 | Pnma (62) | ✔ | 20 | 152 | 3 | 3.1187 | 3.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGaBr3 | ICSD | 61338 | P2_1/m (11) | ✔ | 20 | 148 | 1 | 3.1198 | 3.120 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BAs | ICSD | 181292 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.0744 | 3.121 | 0.000 | (0;000) | ✗ | 06/10/16 |
| V2Pb(OF4)2 | ICSD | 424541 | P-1 (2) | ✔ | 13 | 108 | 2 | 3.0226 | 3.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiAsO4 | COD | 9011234 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.0064 | 3.123 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | ICSD | 25632 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.7504 | 3.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnCSNF | ICSD | 2418 | Pnma (62) | ✔ | 20 | 144 | 2 | 2.7795 | 3.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiPO4 | COD | 9008088 | P3_121 (152) | ✗ | 18 | 132 | 3 | 3.0778 | 3.125 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiC | COD | 9010158 | P6_3mc (186) | ✗ | 12 | 48 | 3 | 2.0119 | 3.126 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaHI | COD | 9009167 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.1277 | 3.128 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CsMgI3 | ICSD | 87262 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 3.1028 | 3.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InGaBr4 | ICSD | 69652 | P2/c (13) | ✔ | 24 | 216 | 2 | 3.0369 | 3.128 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg2BiAsO6 | ICSD | 73895 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.1285 | 3.129 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Pb2OF2 | COD | 1523196 | P4_2/nmc (137) | ✔ | 20 | 192 | 3 | 2.9342 | 3.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 155252 | P3_221 (154) | ✗ | 9 | 48 | 1 | 2.8856 | 3.133 | 0.000 | (0;000) | ✗ | 15/02/17 |
| P | ICSD | 154318 | C2/m (12) | ✔ | 8 | 40 | 1 | 2.6998 | 3.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaS | COD | 9008606 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.3258 | 3.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3VSO3 | ICSD | 419400 | P2_1/m (11) | ✔ | 16 | 128 | 1 | 3.0942 | 3.135 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSe | ICSD | 167834 | F-43m (216) | ✗ | 2 | 16 | 1 | 3.0584 | 3.136 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaPS3 | ICSD | 405192 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1376 | 3.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbClF | COD | 1011046 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 3.1252 | 3.139 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SrPS3 | ICSD | 405191 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1418 | 3.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sb2O3 | COD | 9012853 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 0.0 | 3.145 | 1.000 | (0;000) | ✗ | 02/02/17 |
| KBrO3 | ICSD | 33663 | R3m (160) | ✗ | 5 | 34 | 1 | 3.1451 | 3.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
| P4N3Cl11 | ICSD | 71913 | R3 (146) | ✗ | 18 | 112 | 1 | 3.143 | 3.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KNO3 | ICSD | 260601 | R3m (160) | ✗ | 5 | 32 | 1 | 3.1468 | 3.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiGaS2 | COD | 1531588 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.1472 | 3.147 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CO2 | ICSD | 110776 | Pnnm (58) | ✔ | 6 | 32 | 1 | 2.2578 | 3.149 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245408 | I-42m (121) | ✗ | 9 | 64 | 1 | 3.1526 | 3.153 | 0.000 | (0;000) | ✗ | 07/10/16 |
| YMoClO4 | COD | 4304780 | C2/m (12) | ✔ | 14 | 112 | 3 | 2.7876 | 3.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2Ti3O7 | ICSD | 426263 | P2_1/m (11) | ✔ | 24 | 168 | 3 | 3.1549 | 3.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiZnPS4 | ICSD | 95785 | I-4 (82) | ✗ | 7 | 44 | 3 | 2.7265 | 3.156 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba2YNbO6 | ICSD | 172407 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.1567 | 3.157 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GaHgCl4 | ICSD | 413579 | P-1 (2) | ✔ | 12 | 106 | 2 | 3.0339 | 3.159 | 0.000 | (0;000) | ✗ | 02/02/17 |