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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Na2PtO3 | ICSD | 25020 | Fddd (70) | ✔ | 24 | 184 | 3 | 1.473 | 1.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaRhO2 | ICSD | 66280 | R-3m (166) | ✔ | 4 | 38 | 2 | 1.4316 | 1.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaPdF4 | ICSD | 108991 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.5233 | 1.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAuO2 | COD | 1510202 | Pmmm (47) | ✔ | 4 | 32 | 1 | 1.0493 | 1.524 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2GePbS4 | ICSD | 281011 | I-42m (121) | ✗ | 8 | 48 | 2 | 1.4519 | 1.524 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TlF3 | COD | 1528563 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.4643 | 1.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InCl | ICSD | 2432 | Ccm2_1 (36) | ✗ | 4 | 40 | 3 | 1.4416 | 1.525 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2SnHgSe4 | ICSD | 413308 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.5248 | 1.525 | 0.000 | (0;000) | ✗ | 29/03/17 |
| In6TeO12 | ICSD | 245526 | R-3 (148) | ✔ | 19 | 156 | 3 | 1.442 | 1.525 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaCuO2 | COD | 1531589 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.837 | 1.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdBiS2Cl | ICSD | 171724 | Pnma (62) | ✔ | 20 | 184 | 3 | 1.5239 | 1.525 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Hg3H2I8O | ICSD | 191929 | Cm (8) | ✗ | 16 | 118 | 2 | 1.5244 | 1.526 | 0.000 | (0;000) | ✗ | 22/03/17 |
| P2Ir | ICSD | 174222 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.7499 | 1.526 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiO2 | ICSD | 79500 | C2/c (15) | ✔ | 12 | 68 | 3 | 1.4798 | 1.526 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs3AuO | COD | 1510109 | P6_3/mmc (194) | ✔ | 10 | 88 | 1 | 1.5275 | 1.528 | 0.000 | (0;000) | ✗ | 30/01/17 |
| InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlNO2 | ICSD | 50325 | P3_121 (152) | ✗ | 12 | 90 | 1 | 1.4791 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InCl | ICSD | 2430 | Cmcm (63) | ✔ | 4 | 40 | 1 | 1.443 | 1.529 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na6PbO5 | ICSD | 15102 | I4mm (107) | ✗ | 12 | 98 | 1 | 1.4651 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
| MgGeP2 | ICSD | 182369 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.4973 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Pd(PbCl3)2 | ICSD | 78873 | P2_1/c (14) | ✔ | 18 | 176 | 3 | 1.4312 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2ZnO2 | ICSD | 404761 | P2_1/c (14) | ✔ | 20 | 168 | 2 | 1.5299 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(AuO2)2 | COD | 1510361 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.4882 | 1.531 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Mg(BC)2 | ICSD | 421839 | Pnnm (58) | ✔ | 10 | 48 | 3 | 1.1081 | 1.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PdCl4 | COD | 1010315 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.5312 | 1.531 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd4SiS6 | COD | 1527686 | Cc (9) | ✗ | 22 | 176 | 3 | 1.5312 | 1.531 | 0.000 | (0;000) | ✗ | 07/08/17 |
| HfTl2PbS4 | ICSD | 237509 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.5954 | 1.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaNiIO6 | ICSD | 23543 | P312 (149) | ✗ | 9 | 62 | 2 | 1.4416 | 1.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb2VCuS4 | ICSD | 84302 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.2635 | 1.533 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P4Os | ICSD | 647710 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.3925 | 1.534 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgMoN2 | COD | 7208132 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 1.535 | 0.119 | (0;000) | ✗ | 27/01/17 |
| LiRhO2 | ICSD | 59179 | Fd-3m (227) | ✔ | 16 | 128 | 3 | 1.5341 | 1.536 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg(ScS2)2 | ICSD | 37423 | Fd-3m (227) | ✔ | 14 | 112 | 3 | 1.5359 | 1.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na4PbO4 | ICSD | 74859 | P-1 (2) | ✔ | 18 | 148 | 1 | 1.5361 | 1.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeI6 | ICSD | 23649 | P2_1/c (14) | ✔ | 18 | 132 | 1 | 1.4052 | 1.537 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PtCl4 | COD | 1010083 | P4/mmm (123) | ✔ | 7 | 56 | 1 | 1.5056 | 1.537 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2InBiS5 | ICSD | 261678 | Cmc2_1 (36) | ✗ | 18 | 156 | 1 | 1.1882 | 1.538 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Rb2PbCl6 | COD | 1010241 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.5379 | 1.538 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3AsBr3 | ICSD | 426 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.5395 | 1.540 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaMg(CO2)2 | ICSD | 193061 | C2/m (12) | ✔ | 8 | 52 | 1 | 1.5397 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCu2Br3 | ICSD | 150306 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.5398 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb2WO5 | ICSD | 61399 | C2/m (12) | ✔ | 16 | 172 | 3 | 1.4939 | 1.542 | 0.000 | (0;000) | ✗ | 11/04/17 |
| NaBiO3 | COD | 1526788 | R-3 (148) | ✔ | 10 | 84 | 1 | 1.4476 | 1.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AsCl5 | ICSD | 412103 | Pmmn (59) | ✔ | 12 | 80 | 1 | 1.5429 | 1.543 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sc2S3 | ICSD | 650835 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.381 | 1.543 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiSbS2 | ICSD | 40457 | R-3 (148) | ✔ | 24 | 120 | 2 | 1.167 | 1.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SnSO4 | ICSD | 245907 | P-1 (2) | ✔ | 24 | 176 | 3 | 1.4092 | 1.544 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BiI3 | ICSD | 187305 | R-3 (148) | ✔ | 8 | 52 | 2 | 1.454 | 1.544 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ICl3 | ICSD | 24714 | P-1 (2) | ✔ | 8 | 56 | 1 | 1.5447 | 1.545 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs2SiP2 | COD | 1008522 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.3238 | 1.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb2Tl5S4Cl9 | ICSD | 417942 | Immm (71) | ✔ | 20 | 178 | 1 | 1.5376 | 1.546 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbBr5F6 | ICSD | 69056 | C2/c (15) | ✔ | 24 | 164 | 3 | 1.5153 | 1.546 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2SnS3 | COD | 4002128 | C2/c (15) | ✔ | 24 | 152 | 2 | 1.5363 | 1.546 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ScCuS2 | ICSD | 15298 | P3m1 (156) | ✗ | 4 | 34 | 3 | 0.8732 | 1.546 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TeO3 | COD | 7035629 | R-3c (167) | ✔ | 8 | 48 | 3 | 1.4975 | 1.547 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2PtSe2 | ICSD | 40431 | Immm (71) | ✔ | 5 | 40 | 1 | 1.045 | 1.548 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Pd(NO3)2 | ICSD | 425998 | P2_1/c (14) | ✔ | 18 | 128 | 2 | 1.5489 | 1.549 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MoS2 | COD | 9007660 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.7111 | 1.549 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2PdC2 | COD | 1526412 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.5508 | 1.551 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PI2 | COD | 2004493 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.551 | 1.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCa2HC3 | ICSD | 261184 | P4/mbm (127) | ✔ | 14 | 72 | 1 | 1.2698 | 1.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2Pd3S4 | ICSD | 26250 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.4138 | 1.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KIn5S8 | ICSD | 40875 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.4591 | 1.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(GaSe2)2 | ICSD | 619900 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.5523 | 1.552 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrCoBi | ICSD | 107120 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.9493 | 1.553 | 0.000 | (0;000) | ✗ | 15/02/17 |
| WS2 | COD | 9009145 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.9842 | 1.553 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Rb2LiVS4 | ICSD | 414185 | Fddd (70) | ✔ | 16 | 116 | 1 | 1.553 | 1.553 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Zn(AgI2)2 | ICSD | 190588 | Pmn2_1 (31) | ✗ | 14 | 124 | 3 | 1.5531 | 1.553 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Al2Se3 | ICSD | 14373 | Cc (9) | ✗ | 10 | 48 | 3 | 1.5341 | 1.554 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2ZnMoO6 | ICSD | 28602 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 1.3459 | 1.555 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnSO4 | ICSD | 245906 | P-1 (2) | ✔ | 24 | 176 | 3 | 1.3394 | 1.555 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlRe3(Se2Cl)2 | ICSD | 162300 | P-1 (2) | ✔ | 20 | 192 | 2 | 1.4376 | 1.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2CdO2 | ICSD | 62054 | Pbcn (60) | ✔ | 20 | 168 | 3 | 1.5349 | 1.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnSnO3 | ICSD | 245943 | R3c (161) | ✗ | 10 | 88 | 3 | 1.5568 | 1.557 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbCl3F2 | ICSD | 380014 | I-4 (82) | ✗ | 24 | 160 | 1 | 1.5218 | 1.557 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2PbO3 | ICSD | 62138 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.5548 | 1.558 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsIn5S8 | ICSD | 40878 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.466 | 1.558 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3BO3 | COD | 1511279 | P6_3/m (176) | ✔ | 14 | 120 | 3 | 1.3717 | 1.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2PtSe2 | ICSD | 40430 | Immm (71) | ✔ | 5 | 40 | 1 | 1.0192 | 1.560 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnI2 | COD | 9009122 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4754 | 1.561 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na2SnTeO6 | ICSD | 89017 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.5615 | 1.562 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScP | ICSD | 188693 | F-43m (216) | ✗ | 2 | 16 | 3 | 1.5616 | 1.562 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlGaO2 | ICSD | 33579 | R-3m (166) | ✔ | 8 | 76 | 3 | 1.5136 | 1.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlAuO2 | COD | 1531586 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.5094 | 1.563 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaAg2(HgO2)2 | COD | 2002859 | P4/nbm (125) | ✔ | 18 | 160 | 3 | 1.2907 | 1.563 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbAuBr4 | COD | 8103439 | P2_1/c (14) | ✔ | 12 | 96 | 1 | 1.5384 | 1.564 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiMgAs | ICSD | 107954 | F-43m (216) | ✗ | 3 | 18 | 3 | 1.2653 | 1.565 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaAsS2 | COD | 8103561 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.4835 | 1.565 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdSbS2Cl | ICSD | 171722 | Pnma (62) | ✔ | 20 | 144 | 3 | 1.54 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InSbS3 | ICSD | 300207 | Pnma (62) | ✔ | 20 | 144 | 2 | 1.4119 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Zn3O4 | ICSD | 40754 | C2/c (15) | ✔ | 18 | 156 | 3 | 1.5657 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4LiCu(CO5)2 | COD | 2002734 | I-42m (121) | ✗ | 18 | 122 | 2 | 1.1212 | 1.566 | 0.000 | (0;000) | ✗ | 21/03/17 |
| InN | ICSD | 41501 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5638 | 1.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BN | ICSD | 162877 | Cm (8) | ✗ | 8 | 32 | 3 | 1.5525 | 1.567 | 0.000 | (0;000) | ✗ | 06/10/16 |
| WOF4 | COD | 1523521 | C2/m (12) | ✔ | 24 | 248 | 2 | 1.5645 | 1.567 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaSbO3 | COD | 4124538 | Pnma (62) | ✔ | 20 | 128 | 3 | 1.567 | 1.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2HgSe4 | ICSD | 33827 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.5688 | 1.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaZnSe2 | ICSD | 167832 | P-4m2 (115) | ✗ | 4 | 34 | 2 | 1.3984 | 1.570 | 0.000 | (0;000) | ✗ | 07/10/16 |