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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ca(AsO3)2 | ICSD | 77379 | P-31m (162) | ✔ | 9 | 56 | 2 | 2.9334 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245406 | P-43m (215) | ✗ | 9 | 64 | 1 | 2.7579 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2PdF6 | ICSD | 28675 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 3.1644 | 3.164 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsVO3 | COD | 1527493 | Pbcm (57) | ✔ | 20 | 160 | 2 | 3.1543 | 3.166 | 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 |
| Sr2Ta2O7 | COD | 2106523 | Cmc2_1 (36) | ✗ | 22 | 176 | 2 | 3.1509 | 3.166 | 0.000 | (0;000) | ✗ | 07/08/17 |
| MgTeMoO6 | ICSD | 184714 | P2_12_12 (18) | ✗ | 18 | 132 | 2 | 3.1056 | 3.166 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CsC2I3N2 | ICSD | 32521 | Pmmn (59) | ✔ | 16 | 96 | 1 | 3.0749 | 3.166 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgCS(OF)3 | ICSD | 98942 | P-1 (2) | ✔ | 18 | 122 | 2 | 3.0675 | 3.167 | 0.000 | (0;000) | ✗ | 07/08/17 |
| NaClO3 | COD | 1010512 | P2_13 (198) | ✗ | 20 | 136 | 1 | 3.1663 | 3.168 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Rb2CO3 | ICSD | 414122 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.1677 | 3.168 | 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 |
| Mg2PN3 | ICSD | 27229 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.1755 | 3.176 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RePbClO4 | COD | 2208194 | Pmn2_1 (31) | ✗ | 14 | 120 | 3 | 3.0966 | 3.176 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MgGeN2 | ICSD | 636948 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 2.9643 | 3.177 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaLiV2O6 | ICSD | 20836 | C2/c (15) | ✔ | 20 | 148 | 1 | 3.095 | 3.183 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3NbO8 | ICSD | 407327 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0135 | 3.184 | 0.000 | (0;000) | ✗ | 07/10/16 |
| CO2 | ICSD | 188892 | P2_12_12_1 (19) | ✗ | 24 | 128 | 3 | 3.1567 | 3.185 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | ICSD | 169696 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0848 | 3.185 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb3TlF6 | COD | 1529657 | I4/mmm (139) | ✔ | 10 | 82 | 1 | 2.5253 | 3.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnCl2 | COD | 9009136 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.1235 | 3.189 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LaBr3 | ICSD | 31581 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 3.1889 | 3.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrZrO3 | COD | 1528398 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.1899 | 3.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeO2 | COD | 1520934 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 3.0222 | 3.190 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Nb2O5 | ICSD | 25765 | C2/m (12) | ✔ | 7 | 56 | 3 | 2.6685 | 3.191 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y6TeO12 | ICSD | 247820 | R-3 (148) | ✔ | 19 | 144 | 3 | 3.0556 | 3.192 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCO2 | ICSD | 163587 | Pbam (55) | ✔ | 16 | 100 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs3CdBr5 | ICSD | 39599 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 21/03/17 |
| TlHg5Cl11 | COD | 7221334 | C2/m (12) | ✔ | 17 | 150 | 3 | 2.8327 | 3.194 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaPS3 | ICSD | 412764 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1945 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K4Zr5O12 | COD | 1527401 | P-3m1 (164) | ✔ | 21 | 128 | 3 | 3.1945 | 3.195 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaPbF6 | ICSD | 25522 | Fm-3m (225) | ✔ | 8 | 66 | 3 | 3.1951 | 3.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbVO3 | COD | 1527492 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.1717 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNa2BO3 | ICSD | 33261 | Pmmn (59) | ✔ | 14 | 96 | 1 | 2.9589 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrBiClO2 | ICSD | 84636 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.1208 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiVO3 | ICSD | 2899 | C2/c (15) | ✔ | 20 | 136 | 2 | 3.0371 | 3.197 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KClO3 | COD | 2310654 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.1985 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlCdCl4 | ICSD | 59173 | P-1 (2) | ✔ | 12 | 86 | 2 | 2.972 | 3.200 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TlVO3 | ICSD | 6108 | Pbcm (57) | ✔ | 20 | 176 | 1 | 3.2002 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2YTaO6 | ICSD | 171173 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.2003 | 3.200 | 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 |
| V2Zn2O7 | ICSD | 250002 | C2/m (12) | ✔ | 11 | 92 | 3 | 2.8851 | 3.204 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaNb2O6 | ICSD | 39272 | P2_1/c (14) | ✔ | 18 | 144 | 3 | 2.717 | 3.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaInBr3 | ICSD | 54138 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.0299 | 3.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2NaBiCl6 | ICSD | 59195 | Fm-3m (225) | ✔ | 10 | 84 | 2 | 2.9309 | 3.206 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaBr3 | ICSD | 413456 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 3.2077 | 3.208 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNaC2 | ICSD | 189824 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.1107 | 3.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2SnO4 | ICSD | 27115 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.9448 | 3.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca2TiSiO6 | COD | 9006455 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 3.211 | 3.211 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CIF2 | COD | 7200677 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 3.1528 | 3.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P3N5 | ICSD | 95782 | Imm2 (44) | ✗ | 8 | 40 | 3 | 2.3318 | 3.212 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PbCO3 | COD | 9008411 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.204 | 3.213 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge2N2O | ICSD | 200845 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9087 | 3.213 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbTlF4 | ICSD | 4047 | Pca2_1 (29) | ✗ | 24 | 200 | 1 | 3.1437 | 3.213 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K3NaCr2O8 | COD | 2101077 | P-3m1 (164) | ✔ | 14 | 112 | 1 | 3.2103 | 3.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaTl3(SO3)2 | ICSD | 1626 | P-3m1 (164) | ✔ | 12 | 96 | 1 | 3.0547 | 3.215 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2CdWO6 | ICSD | 71839 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.1187 | 3.218 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H3C5I2N | COD | 2012993 | Fmm2 (42) | ✗ | 11 | 42 | 1 | 3.0403 | 3.220 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbIn(WO4)2 | ICSD | 24859 | P-3m1 (164) | ✔ | 12 | 126 | 3 | 3.1873 | 3.221 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Ba3Y4O9 | ICSD | 87118 | R3 (146) | ✗ | 16 | 128 | 3 | 3.2201 | 3.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
| PBr3 | ICSD | 8052 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.1017 | 3.223 | 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 |
| Sr2I2O | COD | 8102957 | Ibam (72) | ✔ | 10 | 80 | 1 | 3.1001 | 3.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbLiCrO4 | COD | 2100905 | P31c (159) | ✗ | 14 | 100 | 1 | 3.1623 | 3.225 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CaTiSiO5 | COD | 1011220 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.1981 | 3.228 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnCl2 | COD | 2310517 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.9786 | 3.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdWO4 | COD | 9013915 | P2/c (13) | ✔ | 12 | 128 | 3 | 3.1821 | 3.229 | 0.000 | (0;000) | ✗ | 11/04/17 |
| HIO3 | COD | 2000582 | P2_12_12_1 (19) | ✗ | 20 | 104 | 3 | 3.1754 | 3.229 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Cs2KScCl6 | ICSD | 59196 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.2291 | 3.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsKC2 | ICSD | 189822 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.2247 | 3.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge2N2O | ICSD | 200844 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.8949 | 3.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ge2N2O | ICSD | 200842 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9053 | 3.235 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeO2 | ICSD | 23783 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 3.2366 | 3.237 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaTiSiO5 | COD | 9001794 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.2315 | 3.237 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K3TaO8 | ICSD | 73104 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0859 | 3.238 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PbWO4 | COD | 9009815 | I4_1/a (88) | ✔ | 12 | 132 | 3 | 3.1278 | 3.239 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Ge2N2O | ICSD | 200839 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9473 | 3.241 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbGeIO6 | ICSD | 73613 | P312 (149) | ✗ | 9 | 56 | 2 | 3.0426 | 3.244 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li6Br3N | COD | 1528848 | Fm-3m (225) | ✔ | 10 | 44 | 1 | 2.9029 | 3.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InPO4 | COD | 2310636 | Cmcm (63) | ✔ | 12 | 84 | 3 | 2.9447 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P2Pb3O8 | COD | 2102273 | R-3m (166) | ✔ | 13 | 100 | 1 | 3.1324 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KBeH3 | COD | 4343937 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2474 | 3.247 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnH2SeO5 | ICSD | 66749 | C2/c (15) | ✔ | 18 | 100 | 3 | 3.248 | 3.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaVO3 | ICSD | 20556 | C2/c (15) | ✔ | 20 | 160 | 1 | 3.2206 | 3.248 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge2N2O | ICSD | 200846 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9302 | 3.250 | 0.000 | (0;000) | ✗ | 06/10/16 |
| La2O3 | ICSD | 56166 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 3.0056 | 3.250 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Mg2As2O7 | COD | 1528705 | C2/m (12) | ✔ | 11 | 72 | 3 | 3.2513 | 3.251 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2BeO2 | ICSD | 23633 | P2_1/c (14) | ✔ | 20 | 136 | 3 | 3.1261 | 3.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2Se | COD | 9009061 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.8431 | 3.253 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na6S2O9 | ICSD | 411442 | Fm-3m (225) | ✔ | 17 | 120 | 1 | 3.2299 | 3.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaSbO3 | COD | 9005220 | R-3 (148) | ✔ | 10 | 64 | 1 | 3.1157 | 3.254 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaVCdO4 | ICSD | 151411 | Cmcm (63) | ✔ | 14 | 116 | 3 | 3.2542 | 3.254 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsIO4 | COD | 1521182 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.2435 | 3.254 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ge2N2O | ICSD | 34793 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0353 | 3.257 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2CN2 | ICSD | 411341 | C2/m (12) | ✔ | 5 | 32 | 1 | 3.074 | 3.258 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2SnO4 | ICSD | 150388 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.8857 | 3.258 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P | COD | 9013110 | P-1 (2) | ✔ | 24 | 120 | 1 | 3.2513 | 3.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiC | ICSD | 24168 | R3m (160) | ✗ | 10 | 40 | 3 | 1.9506 | 3.262 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdSO4 | ICSD | 25772 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 2.8065 | 3.264 | 0.000 | (0;000) | ✗ | 06/10/16 |