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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsS | COD | 1529661 | Immm (71) | ✔ | 4 | 30 | 1 | 1.7649 | 1.976 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3SiTe3 | COD | 1527296 | C2/m (12) | ✔ | 14 | 98 | 1 | 1.7652 | 2.013 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrSnO3 | ICSD | 27047 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.766 | 2.562 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnSi(AgS2)2 | ICSD | 183705 | Pc (7) | ✗ | 16 | 124 | 3 | 1.766 | 1.864 | 0.000 | (0;000) | ✗ | 16/03/17 |
| BC2N | ICSD | 93041 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 1.7669 | 1.967 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs3TaO8 | ICSD | 30408 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.7678 | 1.807 | 0.000 | (0;000) | ✗ | 22/03/17 |
| As2S3 | COD | 9015549 | P-1 (2) | ✔ | 20 | 112 | 1 | 1.7681 | 2.000 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2SnSe3 | ICSD | 300234 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.7684 | 1.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeSe3 | ICSD | 63012 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 1.7685 | 1.866 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgSi(CuS2)2 | ICSD | 425554 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.7685 | 1.769 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TlF | COD | 1010462 | Fmmm (69) | ✔ | 2 | 20 | 2 | 1.7688 | 1.769 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KSb(PSe3)2 | ICSD | 90152 | P2_1 (4) | ✗ | 20 | 120 | 3 | 1.769 | 1.795 | 0.000 | (0;000) | ✗ | 29/03/17 |
| TaTeBr9 | ICSD | 410949 | P2_1/m (11) | ✔ | 22 | 164 | 1 | 1.7715 | 1.828 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Tl4HgBr6 | COD | 1525715 | P4/mnc (128) | ✔ | 22 | 212 | 3 | 1.7719 | 1.772 | 0.000 | (0;000) | ✗ | 07/08/17 |
| GeI2 | COD | 9009105 | P-3m1 (164) | ✔ | 3 | 18 | 2 | 1.7731 | 1.802 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsCuS4 | ICSD | 402075 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.7745 | 1.793 | 0.000 | (0;000) | ✗ | 04/08/17 |
| As(BrF2)3 | ICSD | 33811 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.7771 | 1.828 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AlAgS2 | ICSD | 25356 | P3m1 (156) | ✗ | 4 | 26 | 3 | 1.7772 | 1.844 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2O2 | COD | 9008990 | Immm (71) | ✔ | 4 | 30 | 1 | 1.7779 | 1.859 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSe | COD | 9008601 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.7784 | 1.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SiO2 | ICSD | 75669 | P2 (3) | ✗ | 12 | 64 | 3 | 1.7784 | 1.964 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlBr | ICSD | 61519 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 1.7789 | 1.779 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ga2HgS4 | ICSD | 634342 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.7791 | 1.779 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiC | ICSD | 24630 | P6_3mc (186) | ✗ | 16 | 64 | 3 | 1.78 | 2.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb6Cl4O | ICSD | 405193 | R-3c (167) | ✔ | 22 | 176 | 1 | 1.7803 | 1.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AgNO2 | ICSD | 23891 | Imm2 (44) | ✗ | 4 | 28 | 3 | 1.7804 | 2.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2PbO4 | ICSD | 27113 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7811 | 2.445 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2O | COD | 9009055 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 1.7816 | 2.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PtPbF6 | ICSD | 4057 | R-3m (166) | ✔ | 8 | 66 | 3 | 1.7818 | 1.946 | 0.000 | (0;000) | ✗ | 27/01/17 |
| WCl6 | ICSD | 26081 | R-3 (148) | ✔ | 7 | 56 | 1 | 1.782 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VPO5 | ICSD | 415924 | Cc (9) | ✗ | 14 | 96 | 3 | 1.782 | 1.818 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiAlTe2 | ICSD | 162672 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.7823 | 1.809 | 0.000 | (0;000) | ✗ | 07/10/16 |
| YCuS2 | COD | 1526830 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.7825 | 1.837 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbTcO4 | COD | 1501468 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.7831 | 1.783 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CsAuS | ICSD | 656712 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.7838 | 1.986 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KH2I3O | ICSD | 26338 | Pc (7) | ✗ | 14 | 76 | 1 | 1.7843 | 1.828 | 0.000 | (0;000) | ✗ | 28/03/17 |
| Li3AuS2 | COD | 4319430 | Ibam (72) | ✔ | 12 | 64 | 1 | 1.7845 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
| C4S3Cl4 | COD | 7008813 | P-1 (2) | ✔ | 22 | 124 | 1 | 1.7848 | 1.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2GeSe3 | ICSD | 415215 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.7854 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAgBr2 | ICSD | 150302 | P4/nmm (129) | ✔ | 8 | 68 | 2 | 1.7855 | 2.190 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsBSe3 | COD | 1511083 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.7859 | 1.948 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2NbAgSe4 | ICSD | 402423 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.7861 | 1.855 | 0.000 | (0;000) | ✗ | 30/01/17 |
| PbIBr | ICSD | 22138 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.7861 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2NaIO6 | ICSD | 425446 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 1.7866 | 1.787 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cd3(BO3)2 | ICSD | 427222 | P-1 (2) | ✔ | 22 | 156 | 3 | 1.7867 | 2.021 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2H3I | ICSD | 422181 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 1.7868 | 2.196 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2Ag2GeS4 | ICSD | 170843 | Fddd (70) | ✔ | 18 | 136 | 3 | 1.788 | 1.788 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SrLi2Nb2O7 | ICSD | 88463 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 1.7886 | 2.155 | 0.000 | (0;000) | ✗ | 29/03/17 |
| BiPbClO2 | COD | 9012425 | Cmcm (63) | ✔ | 10 | 96 | 2 | 1.7889 | 1.813 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(AuF6)2 | COD | 1510369 | P-4m2 (115) | ✗ | 15 | 116 | 1 | 1.7901 | 1.888 | 0.000 | (0;000) | ✗ | 21/03/17 |
| TlF | ICSD | 30268 | Fmmm (69) | ✔ | 2 | 20 | 1 | 1.7905 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaCu3S4 | ICSD | 185524 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.7907 | 2.127 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgH2 | ICSD | 155809 | Pnma (62) | ✔ | 12 | 48 | 1 | 1.7913 | 3.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaAgF4 | COD | 1509326 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.7918 | 1.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaTiO3 | ICSD | 237109 | Cm2m (38) | ✗ | 5 | 40 | 3 | 1.7918 | 1.910 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrMg2N2 | ICSD | 410826 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.7942 | 1.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V2O5 | COD | 9012221 | Pmmn (59) | ✔ | 14 | 112 | 2 | 1.7969 | 2.041 | 0.000 | (0;000) | ✗ | 07/08/17 |
| As4S5 | COD | 9012102 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 1.7978 | 2.005 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na2GeSe3 | ICSD | 49003 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7979 | 1.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba3In2O5F2 | ICSD | 80215 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.7992 | 2.648 | 0.000 | (0;000) | ✗ | 21/03/17 |
| TlAuCl4 | COD | 2018865 | C2/c (15) | ✔ | 12 | 104 | 1 | 1.7994 | 1.820 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K6MgO4 | ICSD | 2340 | P6_3mc (186) | ✗ | 22 | 176 | 2 | 1.7997 | 1.800 | 0.000 | (0;000) | ✗ | 07/08/17 |
| KNaTe | ICSD | 67276 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.7998 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfI4 | ICSD | 200826 | C2/c (15) | ✔ | 20 | 160 | 2 | 1.8004 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Se | ICSD | 168449 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.8007 | 2.127 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsI2Br | ICSD | 23120 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.8017 | 1.820 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2Te | COD | 9009066 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.802 | 1.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2SnSe3 | ICSD | 74844 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.8024 | 1.802 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CrPb2O5 | COD | 8103050 | C2/m (12) | ✔ | 16 | 144 | 3 | 1.8045 | 2.012 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlBr | ICSD | 109144 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.8054 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca3PCl3 | COD | 1530047 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.8056 | 1.806 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CrPbO4 | COD | 9007486 | P2_1/c (14) | ✔ | 24 | 208 | 3 | 1.8083 | 1.903 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbSnI3 | ICSD | 400934 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8086 | 1.882 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaTeS3 | ICSD | 8 | Pnma (62) | ✔ | 20 | 136 | 1 | 1.8106 | 2.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2PdO6 | COD | 1530535 | Pmna (53) | ✔ | 18 | 128 | 3 | 1.8132 | 1.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NClOF4 | ICSD | 50216 | I4cm (108) | ✗ | 14 | 92 | 1 | 1.8133 | 1.813 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaCdS2 | ICSD | 66655 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.8142 | 1.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScPS4 | ICSD | 67559 | P-1 (2) | ✔ | 12 | 80 | 2 | 1.8147 | 1.862 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbPbI3 | ICSD | 161482 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8148 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg3(TeBr)2 | ICSD | 27402 | I2_13 (199) | ✗ | 14 | 124 | 3 | 1.8149 | 1.863 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2PdF6 | COD | 1521027 | Cmce (64) | ✔ | 18 | 160 | 1 | 1.8177 | 1.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2NaBP2 | ICSD | 300133 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.8181 | 1.907 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAuC2 | ICSD | 411255 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.8204 | 2.063 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Nb2Cd2O7 | COD | 9009945 | Fd-3m (227) | ✔ | 22 | 184 | 3 | 1.8211 | 2.269 | 0.000 | (0;000) | ✗ | 07/08/17 |
| NaHO | ICSD | 26833 | P2_1/m (11) | ✔ | 6 | 32 | 1 | 1.8213 | 1.821 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PdCl6 | COD | 9011293 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 1.8218 | 1.946 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li4NCl | ICSD | 84649 | R-3m (166) | ✔ | 6 | 24 | 1 | 1.8222 | 1.875 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiBrO | COD | 9009161 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.8229 | 1.982 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ag2SeO3 | COD | 1509694 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 1.8233 | 1.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Tl3V5O14 | COD | 4316138 | P31m (157) | ✗ | 22 | 188 | 1 | 1.8245 | 1.855 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgInBr3 | ICSD | 402533 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.8247 | 2.328 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2S7 | ICSD | 423062 | P-1 (2) | ✔ | 18 | 104 | 1 | 1.8252 | 1.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ag2Mo2O7 | COD | 4027813 | P-1 (2) | ✔ | 22 | 184 | 3 | 1.8258 | 1.847 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Sr(CuO)2 | ICSD | 25002 | I4_1/amd (141) | ✔ | 10 | 88 | 3 | 1.8259 | 1.826 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCuS | ICSD | 49008 | P2_1cn (33) | ✗ | 12 | 104 | 1 | 1.8268 | 1.849 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuN3 | COD | 2310148 | I4_1/a (88) | ✔ | 16 | 104 | 3 | 1.8276 | 1.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg2ClO | COD | 9009904 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.8283 | 1.933 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KLi3PbO4 | ICSD | 37084 | P-1 (2) | ✔ | 18 | 112 | 2 | 1.829 | 1.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2LiReO6 | ICSD | 109259 | Fm-3m (225) | ✔ | 10 | 74 | 1 | 1.8305 | 1.905 | 0.000 | (0;000) | ✗ | 05/01/17 |