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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| HgN3 | ICSD | 426345 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 2.4188 | 2.423 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3CO3F | ICSD | 2515 | P2_1/m (11) | ✔ | 16 | 136 | 3 | 2.157 | 2.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScN | ICSD | 236779 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.424 | 2.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgNO3 | ICSD | 35157 | R3m (160) | ✗ | 5 | 34 | 3 | 2.0793 | 2.425 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlP | ICSD | 190421 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 1.8868 | 2.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn(GaS2)2 | ICSD | 656808 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.427 | 2.427 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbSn2Br5 | ICSD | 151989 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.2355 | 2.427 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KInBr3 | ICSD | 50510 | P-3 (147) | ✔ | 20 | 172 | 1 | 2.4275 | 2.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaNb3O8 | COD | 9012849 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.3615 | 2.429 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AgClO4 | COD | 1010574 | F-43m (216) | ✗ | 6 | 42 | 1 | 2.4263 | 2.431 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaZnO2 | ICSD | 25812 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.4305 | 2.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaTiO3 | COD | 1011211 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.033 | 2.432 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgC2(SeN)2 | ICSD | 85760 | P2_1/c (14) | ✔ | 14 | 84 | 2 | 2.326 | 2.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3Li4(GeN3)2 | ICSD | 96422 | C2/m (12) | ✔ | 15 | 80 | 1 | 2.2416 | 2.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H5C5N2 | COD | 2203306 | P-1 (2) | ✔ | 24 | 70 | 1 | 2.377 | 2.436 | 0.000 | (0;000) | ✗ | 04/08/17 |
| VBiPbO5 | ICSD | 56791 | P-1 (2) | ✔ | 16 | 144 | 3 | 2.2379 | 2.437 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li4HN | COD | 8100739 | I4_1/a (88) | ✔ | 12 | 36 | 1 | 2.0734 | 2.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3Bi2Cl9 | ICSD | 23349 | P321 (150) | ✗ | 14 | 120 | 2 | 2.3527 | 2.440 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KScS2 | COD | 2020007 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.7182 | 2.440 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbNaS | COD | 9007814 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.3693 | 2.442 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb4CO4 | ICSD | 245443 | Cm (8) | ✗ | 9 | 64 | 3 | 2.3293 | 2.443 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsSb4F13 | COD | 5910189 | I4/m (87) | ✔ | 18 | 120 | 3 | 2.4393 | 2.443 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PbCSNCl | ICSD | 409835 | Pnma (62) | ✔ | 20 | 144 | 2 | 2.4437 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb4SnO4 | COD | 2010608 | P-1 (2) | ✔ | 18 | 148 | 1 | 2.3745 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSn2Br5 | COD | 1525544 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.2729 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2PbO4 | ICSD | 27113 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7811 | 2.445 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZnBr2 | COD | 9011540 | R-3m (166) | ✔ | 3 | 26 | 2 | 2.4418 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hg2SeO3 | ICSD | 412303 | Cmc2_1 (36) | ✗ | 24 | 192 | 3 | 2.4068 | 2.445 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfBrN | ICSD | 190383 | R-3m (166) | ✔ | 6 | 48 | 2 | 1.8563 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2S | COD | 1525329 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4068 | 2.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SNCl | ICSD | 30558 | P2_1/m (11) | ✔ | 18 | 108 | 1 | 2.4393 | 2.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3InS3 | ICSD | 23252 | C2/m (12) | ✔ | 14 | 116 | 1 | 2.4145 | 2.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2SiO4 | ICSD | 189973 | Cmc2_1 (36) | ✗ | 14 | 96 | 3 | 2.3132 | 2.447 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PbWO4 | COD | 9007617 | P2_1/c (14) | ✔ | 24 | 264 | 3 | 2.4216 | 2.447 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2O2 | COD | 9008988 | P-62m (189) | ✗ | 12 | 90 | 1 | 2.0545 | 2.447 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ga2O3 | COD | 2004987 | C2/m (12) | ✔ | 10 | 88 | 3 | 2.4198 | 2.448 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb4CO4 | ICSD | 245429 | P-43m (215) | ✗ | 9 | 64 | 3 | 2.4483 | 2.448 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiPCl9 | ICSD | 23137 | P-1 (2) | ✔ | 22 | 160 | 1 | 2.419 | 2.450 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Cs2GeS4 | COD | 2202360 | C2/m (12) | ✔ | 14 | 92 | 1 | 2.4232 | 2.451 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BNCl2 | ICSD | 14276 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3764 | 2.454 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbScS2 | COD | 2020008 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.7063 | 2.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgPdF6 | ICSD | 26163 | R-3 (148) | ✔ | 8 | 70 | 3 | 2.4552 | 2.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgPS3 | ICSD | 642729 | C2/m (12) | ✔ | 10 | 66 | 2 | 2.4505 | 2.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sn2IF3 | ICSD | 38268 | Cmcm (63) | ✔ | 12 | 112 | 1 | 2.3121 | 2.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2NCl3 | ICSD | 65829 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.9476 | 2.458 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrO2 | COD | 1010912 | P2_1/c (14) | ✔ | 12 | 64 | 3 | 2.3876 | 2.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba3Ti3(BO6)2 | ICSD | 99460 | P-62m (189) | ✗ | 20 | 144 | 3 | 2.1579 | 2.459 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaGa4S7 | COD | 1518018 | Pmn2_1 (31) | ✗ | 24 | 208 | 3 | 2.4589 | 2.461 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BC2N | ICSD | 191798 | P22_12 (17) | ✗ | 8 | 32 | 3 | 2.4617 | 2.462 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiIO4 | COD | 4106584 | Pca2_1 (29) | ✗ | 24 | 184 | 2 | 2.2729 | 2.462 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb3PdF5 | ICSD | 35285 | P4/mbm (127) | ✔ | 18 | 160 | 1 | 2.4592 | 2.462 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(ClO2)2 | COD | 2207380 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.3827 | 2.464 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbLiO | ICSD | 65170 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.4363 | 2.466 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAuF4 | ICSD | 152056 | Immm (71) | ✔ | 12 | 96 | 2 | 2.2813 | 2.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaTiO3 | ICSD | 73641 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1532 | 2.468 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgSe | COD | 9008673 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 1.6665 | 2.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RuO4 | ICSD | 415306 | C2/c (15) | ✔ | 10 | 80 | 1 | 2.4051 | 2.469 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbBiO4 | COD | 1524671 | P-1 (2) | ✔ | 24 | 208 | 3 | 2.4687 | 2.469 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TiO2 | COD | 9008216 | I4_1/amd (141) | ✔ | 6 | 48 | 3 | 2.1406 | 2.472 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgMoO4 | ICSD | 2533 | C2/c (15) | ✔ | 12 | 100 | 3 | 2.1395 | 2.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiBr4 | ICSD | 22103 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 2.4494 | 2.474 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Ga2O3 | ICSD | 166198 | C2/m (12) | ✔ | 10 | 88 | 3 | 2.4727 | 2.475 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ga4GeO8 | COD | 1001682 | C2/m (12) | ✔ | 13 | 104 | 3 | 2.4626 | 2.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2B2S5 | COD | 1510745 | Cmcm (63) | ✔ | 18 | 84 | 1 | 2.4066 | 2.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2AgI3 | COD | 2310064 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.4755 | 2.476 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HgSeO3 | COD | 2003568 | Pnma (62) | ✔ | 20 | 144 | 3 | 2.4044 | 2.476 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg2SeO3 | ICSD | 412304 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.4767 | 2.477 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba(AuF4)2 | COD | 1510360 | I-4 (82) | ✗ | 22 | 176 | 1 | 2.4753 | 2.477 | 0.000 | (0;000) | ✗ | 07/08/17 |
| AlCuO2 | COD | 1531583 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 1.9892 | 2.478 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaTiO3 | ICSD | 73638 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1635 | 2.478 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ti(NCl)3 | COD | 1528192 | P-1 (2) | ✔ | 14 | 96 | 1 | 2.4342 | 2.479 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2S | COD | 2106221 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 2.4792 | 2.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YAuO2 | COD | 1510263 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3253 | 2.480 | 0.000 | (0;000) | ✗ | 05/01/17 |
| S2NO | ICSD | 410547 | P-1 (2) | ✔ | 16 | 92 | 1 | 2.1152 | 2.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KYGeS4 | ICSD | 603205 | P2_1 (4) | ✗ | 14 | 96 | 1 | 2.3292 | 2.482 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CaCl2 | ICSD | 86209 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4831 | 2.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2S | COD | 9009064 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.4848 | 2.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C4SBr4 | COD | 2102931 | Pc (7) | ✗ | 18 | 100 | 1 | 2.3353 | 2.485 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbSb4F13 | COD | 5910267 | I4/m (87) | ✔ | 18 | 120 | 1 | 2.4717 | 2.485 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BSb | ICSD | 184571 | F-43m (216) | ✗ | 2 | 8 | 3 | 0.6393 | 2.485 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K4CO4 | ICSD | 245422 | C2 (5) | ✗ | 9 | 64 | 2 | 2.3193 | 2.486 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CS14 | ICSD | 26464 | R-3m (166) | ✔ | 15 | 88 | 2 | 2.3303 | 2.487 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeO2 | ICSD | 161691 | P4_12_12 (92) | ✗ | 12 | 72 | 3 | 2.4087 | 2.488 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KLiSe | ICSD | 67277 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.4508 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnO2 | ICSD | 60763 | Pa3 (205) | ✔ | 12 | 96 | 3 | 2.3571 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsAgC2 | ICSD | 410873 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.4888 | 2.489 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgCl2 | ICSD | 51247 | P-1 (2) | ✔ | 6 | 48 | 3 | 2.4906 | 2.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2PdF6 | ICSD | 27486 | P-3m1 (164) | ✔ | 9 | 78 | 1 | 2.4797 | 2.491 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsAgBr2 | COD | 1509157 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.0615 | 2.492 | 0.000 | (0;000) | ✗ | 30/01/17 |
| B6P | ICSD | 615157 | R-3m (166) | ✔ | 14 | 46 | 3 | 2.3732 | 2.493 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sn2P2O7 | COD | 4000543 | P2_1/c (14) | ✔ | 22 | 160 | 3 | 2.4732 | 2.493 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd2BiAsO6 | ICSD | 154151 | Cmc2_1 (36) | ✗ | 20 | 160 | 3 | 2.4619 | 2.493 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Sr2GeS4 | ICSD | 23420 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.4357 | 2.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSbO2 | COD | 2007633 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.476 | 2.493 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgTeO3 | ICSD | 61673 | P-1 (2) | ✔ | 20 | 144 | 3 | 2.3102 | 2.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ClF | ICSD | 406442 | P2_1/c (14) | ✔ | 8 | 56 | 1 | 2.4667 | 2.494 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3As2Cl9 | ICSD | 45733 | P321 (150) | ✗ | 14 | 100 | 2 | 2.4958 | 2.496 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaBS2 | COD | 1510938 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.4962 | 2.496 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Pb3SeO5 | COD | 9015251 | Cmc2_1 (36) | ✗ | 18 | 156 | 3 | 2.4974 | 2.498 | 0.000 | (0;000) | ✗ | 29/03/17 |