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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| InI | COD | 9008983 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 30/01/17 |
| InI | ICSD | 38129 | Ccmm (63) | ✔ | 4 | 40 | 3 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbClO4 | COD | 1010571 | F-43m (216) | ✗ | 6 | 40 | 1 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sr2FeH6 | ICSD | 632211 | Fm-3m (225) | ✔ | 9 | 34 | 1 | 1.1713 | 1.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VPO5 | ICSD | 425552 | C2/m (12) | ✔ | 14 | 96 | 2 | 1.1715 | 1.369 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba4NaCu(CO5)2 | ICSD | 80606 | I-42m (121) | ✗ | 18 | 128 | 1 | 1.1718 | 1.606 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na3AgO2 | COD | 1528854 | Ibam (72) | ✔ | 12 | 100 | 2 | 1.173 | 1.345 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Bi4O7 | ICSD | 51778 | P-1 (2) | ✔ | 22 | 124 | 3 | 1.173 | 1.280 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be2C | COD | 9009053 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 1.1755 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgH3IO6 | COD | 8100888 | P1 (1) | ✗ | 11 | 58 | 3 | 1.1757 | 1.205 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HgHOF | ICSD | 8267 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 1.1761 | 1.481 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdSnO3 | ICSD | 180400 | R-3 (148) | ✔ | 10 | 88 | 3 | 1.1762 | 1.263 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaYAgSe3 | ICSD | 104237 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.1764 | 1.489 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Mn5As4 | ICSD | 73252 | Cmc2_1 (36) | ✗ | 18 | 190 | 3 | 1.1774 | 0.002 | 1.000 | (0;000) | ✗ | 21/03/17 |
| Mg(RhO2)2 | ICSD | 109299 | Fd-3m (227) | ✔ | 14 | 136 | 3 | 1.18 | 1.183 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na(GeP)3 | COD | 7017702 | Pmc2_1 (26) | ✗ | 14 | 72 | 2 | 1.1803 | 1.490 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2AgAs | ICSD | 1154 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1805 | 1.308 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3VSe4 | ICSD | 652072 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.1815 | 1.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlIO4 | ICSD | 52342 | I4_1/a (88) | ✔ | 12 | 88 | 1 | 1.1834 | 1.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3VSe4 | ICSD | 600248 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.1836 | 1.184 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245434 | C2 (5) | ✗ | 9 | 64 | 1 | 1.1845 | 1.310 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Br | COD | 1512496 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.1847 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsCuSe4 | ICSD | 75195 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.1847 | 1.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ag2PdCl4 | COD | 1509778 | Cmce (64) | ✔ | 14 | 136 | 3 | 1.1848 | 1.294 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaNiO3 | COD | 2106603 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 1.1864 | 1.283 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ag2CN2 | ICSD | 411091 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.1872 | 1.187 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PtBr4 | ICSD | 6063 | P4/mmm (123) | ✔ | 7 | 56 | 1 | 1.1873 | 1.187 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSnSe3 | ICSD | 402842 | P-1 (2) | ✔ | 10 | 82 | 1 | 1.1875 | 1.389 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2TeS3 | ICSD | 415120 | P2_1/c (14) | ✔ | 24 | 120 | 1 | 1.1876 | 1.204 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2InBiS5 | ICSD | 261678 | Cmc2_1 (36) | ✗ | 18 | 156 | 1 | 1.1882 | 1.538 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cr2AgBiO8 | ICSD | 8224 | I-4 (82) | ✗ | 12 | 102 | 3 | 1.1891 | 1.204 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KTiPS5 | ICSD | 82262 | C2/m (12) | ✔ | 16 | 112 | 1 | 1.1891 | 1.275 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaH2 | ICSD | 157943 | P6_3/mmc (194) | ✔ | 6 | 24 | 1 | 1.1892 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GaSe | COD | 9008968 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 1.1897 | 1.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VCdCuO4 | COD | 2002682 | Cmcm (63) | ✔ | 14 | 120 | 3 | 1.1901 | 1.321 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaTe | COD | 9008608 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.1904 | 2.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl4HgI6 | COD | 1527143 | P4/mnc (128) | ✔ | 22 | 212 | 3 | 1.1924 | 1.192 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Tl6SeI4 | COD | 4106340 | P4/mnc (128) | ✔ | 22 | 224 | 3 | 1.1927 | 1.193 | 0.000 | (0;000) | ✗ | 07/08/17 |
| K2AgP | COD | 8103396 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.1954 | 1.279 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr(MgAs)2 | ICSD | 610831 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1971 | 1.468 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaBeAs | COD | 7221253 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.1981 | 1.310 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SnO2 | COD | 1526637 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 1.1983 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca(MgAs)2 | COD | 7221199 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1991 | 1.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZnAgF3 | COD | 4119063 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 1.2015 | 2.184 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ag2H2IOF | ICSD | 32660 | P2_1 (4) | ✗ | 14 | 88 | 3 | 1.2016 | 1.282 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Sr4P2O | ICSD | 33903 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.2028 | 1.238 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiCdCoF6 | ICSD | 32731 | P-31c (163) | ✔ | 18 | 148 | 3 | 1.2028 | 1.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaHgS2 | COD | 4342638 | Pmc2_1 (26) | ✗ | 16 | 136 | 2 | 1.2035 | 1.237 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Tl2CuI3 | ICSD | 65962 | Pnnm (58) | ✔ | 24 | 232 | 3 | 1.2036 | 1.204 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ScAlCO | ICSD | 426425 | P6_3mc (186) | ✗ | 8 | 48 | 3 | 1.205 | 2.325 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cd(GaS2)2 | ICSD | 619872 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.2052 | 1.205 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnS2 | ICSD | 43003 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 1.2053 | 1.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2Pd3S4 | ICSD | 41885 | Fddd (70) | ✔ | 18 | 192 | 1 | 1.2068 | 1.313 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Tl2B2Se7 | COD | 1510832 | C2/c (15) | ✔ | 22 | 148 | 3 | 1.2078 | 1.298 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiP5 | ICSD | 88710 | Pna2_1 (33) | ✗ | 24 | 112 | 1 | 1.2082 | 1.218 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PbS | ICSD | 183240 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.2082 | 1.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbSeI | COD | 1008204 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.2091 | 1.322 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PdCl2 | ICSD | 404624 | R-3 (148) | ✔ | 18 | 192 | 2 | 1.2092 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlBi(PS3)2 | COD | 4307993 | P2_1 (4) | ✗ | 20 | 148 | 3 | 1.2092 | 1.323 | 0.000 | (0;000) | ✗ | 21/03/17 |
| HgO | ICSD | 24062 | P3_121 (152) | ✗ | 6 | 54 | 3 | 1.2097 | 1.356 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Se | COD | 9013138 | R-3 (148) | ✔ | 6 | 36 | 1 | 1.2105 | 1.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2SiP2 | ICSD | 36367 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.2106 | 1.784 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsS2 | ICSD | 424590 | P2_1 (4) | ✗ | 24 | 136 | 2 | 1.2111 | 1.211 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdS | ICSD | 60629 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.2121 | 1.212 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiGeBO4 | ICSD | 28106 | Fmm2 (42) | ✗ | 7 | 34 | 3 | 1.2123 | 1.489 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KP | COD | 1528278 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 1.2133 | 1.213 | 0.000 | (0;000) | ✗ | 29/03/17 |
| TiO2 | COD | 9015355 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.2133 | 1.213 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdHg2SeO6 | ICSD | 413288 | P-1 (2) | ✔ | 20 | 156 | 3 | 1.2137 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaAgSeF | ICSD | 183714 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2151 | 1.215 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NbAgO3 | ICSD | 55647 | Cmcm (63) | ✔ | 20 | 168 | 3 | 1.2154 | 1.215 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ta4S9Br8 | COD | 4310078 | I4mm (107) | ✗ | 21 | 162 | 2 | 1.2169 | 1.285 | 0.000 | (0;000) | ✗ | 07/08/17 |
| NaSe2 | ICSD | 402584 | I-42d (122) | ✗ | 24 | 168 | 1 | 1.2186 | 1.261 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BP | ICSD | 181291 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.2188 | 3.369 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd2P3Cl | ICSD | 100818 | Cc (9) | ✗ | 12 | 92 | 3 | 1.2195 | 1.493 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2CdTe3 | COD | 2236699 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.2195 | 1.220 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrCdO4 | COD | 1008084 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.2233 | 1.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrBrN | ICSD | 27393 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.224 | 1.224 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbCuO3 | COD | 1530352 | C2/m (12) | ✔ | 20 | 168 | 3 | 1.2247 | 1.263 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgSbS2 | COD | 9002733 | C2/c (15) | ✔ | 16 | 112 | 3 | 1.2255 | 1.398 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Tl3SbS3 | ICSD | 48133 | R3m (160) | ✗ | 7 | 62 | 3 | 1.2263 | 1.230 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaS | ICSD | 73173 | P6_3/mmc (194) | ✔ | 8 | 60 | 1 | 1.2269 | 1.227 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfPbS3 | ICSD | 65668 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.2292 | 1.329 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiRhO2 | COD | 1008161 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.2294 | 1.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cu2WS4 | COD | 7117863 | I-42m (121) | ✗ | 7 | 74 | 2 | 1.2294 | 1.826 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Na6P4W | ICSD | 71647 | P6_3mc (186) | ✗ | 22 | 204 | 1 | 1.2298 | 1.264 | 0.000 | (0;000) | ✗ | 07/08/17 |
| RhBr3 | ICSD | 28245 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.23 | 1.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3Co(CN)3 | ICSD | 423302 | P6_3/m (176) | ✔ | 20 | 148 | 1 | 1.2302 | 1.634 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InAg3(PO4)2 | ICSD | 245001 | C2/m (12) | ✔ | 14 | 104 | 3 | 1.2304 | 1.490 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cd2AsCl2 | COD | 1001161 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 1.2332 | 1.371 | 0.000 | (0;000) | ✗ | 21/03/17 |
| C3Br2O | COD | 7206336 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.2333 | 1.269 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiAgC2 | ICSD | 410868 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.2334 | 2.032 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3Cu3As2 | ICSD | 32015 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.2339 | 1.286 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2Ag2GeSe4 | ICSD | 420014 | Fddd (70) | ✔ | 18 | 136 | 3 | 1.2339 | 1.270 | 0.000 | (0;000) | ✗ | 30/01/17 |
| In5S5Cl | ICSD | 414221 | P2_1/m (11) | ✔ | 22 | 204 | 3 | 1.2351 | 1.301 | 0.000 | (0;000) | ✗ | 07/08/17 |
| KBiO2 | COD | 1528047 | C2/c (15) | ✔ | 8 | 72 | 1 | 1.2352 | 1.245 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2VCuS4 | ICSD | 81414 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.2357 | 1.460 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAg3S2 | COD | 1510034 | C2/m (12) | ✔ | 12 | 108 | 1 | 1.236 | 1.446 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K7NbAs4 | ICSD | 380109 | Pmn2_1 (31) | ✗ | 24 | 192 | 1 | 1.2368 | 1.237 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2TeSe3 | ICSD | 63011 | C2/c (15) | ✔ | 24 | 168 | 1 | 1.2376 | 1.291 | 0.000 | (0;000) | ✗ | 04/08/17 |