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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Y2ZnS4 | ICSD | 651411 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.5177 | 0.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiZnAs | ICSD | 74504 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.5178 | 0.518 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2Te2Pd | ICSD | 641302 | Immm (71) | ✔ | 5 | 48 | 3 | 0.5189 | 1.084 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C | COD | 9014004 | P6/mmm (191) | ✔ | 10 | 40 | 3 | 0.5198 | 1.862 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K4CO4 | ICSD | 245421 | Cm (8) | ✗ | 9 | 64 | 3 | 0.521 | 0.796 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiCu2Se3 | ICSD | 88236 | Cc (9) | ✗ | 12 | 88 | 3 | 0.5213 | 0.523 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2YInTe5 | ICSD | 248944 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 0.5214 | 0.522 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NiO2 | COD | 9016308 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5221 | 0.662 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg(BeP)2 | ICSD | 616328 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.5227 | 2.649 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Nb(Te2I3)2 | ICSD | 78371 | P-1 (2) | ✔ | 22 | 158 | 1 | 0.5229 | 0.606 | 0.000 | (0;000) | ✗ | 07/08/17 |
| FeS2 | ICSD | 15012 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.5231 | 0.568 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNbSe2 | ICSD | 26288 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.5237 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2ZnAs2 | COD | 4315625 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.5241 | 0.632 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NbTeBr3 | ICSD | 35376 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.5241 | 0.644 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbFeSb | ICSD | 83928 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.5254 | 1.135 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Mg(AlSe2)2 | ICSD | 41926 | R3m (160) | ✗ | 7 | 40 | 2 | 0.5255 | 0.526 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RuC | ICSD | 181771 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.5257 | 0.839 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2PtI6 | ICSD | 37190 | P4/mnc (128) | ✔ | 18 | 140 | 1 | 0.5268 | 0.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4As2O | ICSD | 33905 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.5273 | 0.527 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs2PdI6 | COD | 4300058 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.5279 | 0.834 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdTe | ICSD | 108238 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.528 | 0.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CO2 | COD | 9009242 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.5282 | 0.795 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hf3Tl2(CuSe4)2 | ICSD | 81554 | C2/m (12) | ✔ | 15 | 132 | 3 | 0.5285 | 0.641 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As(IF3)2 | ICSD | 37001 | C2/m (12) | ✔ | 18 | 122 | 1 | 0.5286 | 0.594 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K5P2Au | COD | 1008880 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.5298 | 0.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y3Sb4Au3 | COD | 2105392 | I-43d (220) | ✗ | 20 | 172 | 3 | 0.5301 | 0.673 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NiP2 | COD | 1526196 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5308 | 0.614 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnSi(AgO2)2 | ICSD | 81327 | Pc (7) | ✗ | 16 | 124 | 3 | 0.5309 | 0.677 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SnS | ICSD | 156130 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.531 | 0.656 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlAg3S2 | COD | 1510039 | Pbcn (60) | ✔ | 24 | 232 | 3 | 0.5312 | 0.558 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsSb | COD | 7221397 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5327 | 0.536 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsClO4 | COD | 1010572 | F-43m (216) | ✗ | 6 | 40 | 1 | 0.533 | 0.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Zn(InS2)2 | COD | 7221365 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.5331 | 0.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaAg(PSe3)2 | ICSD | 71971 | P-31c (163) | ✔ | 20 | 140 | 2 | 0.5331 | 0.564 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NaAs | ICSD | 182158 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5339 | 0.608 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaFe(GeO3)2 | ICSD | 290257 | C2/c (15) | ✔ | 20 | 124 | 3 | 0.5341 | 0.535 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrS2 | COD | 5910006 | P-3m1 (164) | ✔ | 3 | 16 | 2 | 0.535 | 1.254 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiP2 | ICSD | 27160 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5384 | 0.618 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2FeWO6 | ICSD | 78678 | Fm-3m (225) | ✔ | 10 | 78 | 3 | 0.5396 | 0.540 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sc4OsCl4 | ICSD | 421532 | C2/c (15) | ✔ | 18 | 176 | 3 | 0.5396 | 0.584 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCuTe | COD | 7221373 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5401 | 0.540 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaCuO2 | COD | 1529687 | C2/m (12) | ✔ | 4 | 32 | 2 | 0.5401 | 0.941 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Al2HgSe4 | ICSD | 608163 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 0.5405 | 0.541 | 0.000 | (0;000) | ✗ | 30/01/17 |
| ScSbPt | ICSD | 77948 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.5411 | 0.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ag2SeO4 | COD | 7209359 | Fddd (70) | ✔ | 14 | 104 | 3 | 0.5429 | 0.563 | 0.000 | (0;000) | ✗ | 30/01/17 |
| FeCl2 | COD | 9015767 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5433 | 0.550 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2CdAs2 | ICSD | 422940 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.5433 | 0.543 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba(CuS)2 | ICSD | 615832 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.5441 | 0.544 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Tl2Se3 | ICSD | 652069 | C2/c (15) | ✔ | 10 | 88 | 1 | 0.546 | 0.716 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2Ru | ICSD | 42607 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.5463 | 1.339 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca(InP)2 | COD | 2017323 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.5469 | 0.684 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlBi2Se2BrCl4 | ICSD | 251017 | P-1 (2) | ✔ | 20 | 160 | 2 | 0.5475 | 1.018 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KZrCuS3 | ICSD | 80624 | Cmcm (63) | ✔ | 12 | 84 | 1 | 0.5478 | 0.548 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbOsSe | ICSD | 647759 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.548 | 0.761 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InP | ICSD | 180911 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5486 | 0.549 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba(AgTe)2 | ICSD | 246048 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.5488 | 0.549 | 0.000 | (0;000) | ✗ | 16/03/17 |
| TiNb3O6 | ICSD | 280002 | R-3 (148) | ✔ | 20 | 174 | 3 | 0.5492 | 0.739 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc2ZnS4 | ICSD | 650852 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.5497 | 0.550 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In2S3 | COD | 7221366 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.5499 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2AgSb | COD | 7209348 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.5506 | 0.615 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdSi(CuSe2)2 | ICSD | 619783 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5507 | 0.551 | 0.000 | (0;000) | ✗ | 22/03/17 |
| WO3 | ICSD | 67749 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.5514 | 1.584 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoS2N2Cl5 | ICSD | 47102 | P-1 (2) | ✔ | 20 | 142 | 1 | 0.5529 | 0.644 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSnP2 | ICSD | 22183 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.5533 | 0.553 | 0.000 | (0;000) | ✗ | 07/10/16 |
| InAgS2 | COD | 7209342 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.5537 | 0.696 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Tl2CdTe4 | ICSD | 620549 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.5551 | 0.767 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Y4OsBr4 | ICSD | 71513 | C2/c (15) | ✔ | 18 | 176 | 3 | 0.5556 | 0.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsHgF3 | COD | 1527533 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.5586 | 2.703 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Te2W | ICSD | 653170 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5587 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2FeWO6 | ICSD | 81204 | Pmm2 (25) | ✗ | 20 | 184 | 3 | 0.5589 | 0.594 | 0.000 | (0;000) | ✗ | 11/04/17 |
| CdSe | ICSD | 415786 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5591 | 0.559 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cu3SbS4 | ICSD | 42672 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5599 | 0.560 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdTe | ICSD | 150941 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5613 | 0.561 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaFeF3 | COD | 4341415 | Cmcm (63) | ✔ | 10 | 76 | 2 | 0.5613 | 0.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TlInS2 | ICSD | 25354 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.5619 | 1.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ga2Os | COD | 1522721 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.5627 | 0.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ga2Os | ICSD | 103785 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.5627 | 0.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
| OsO2F3 | COD | 4332767 | Pc (7) | ✗ | 24 | 196 | 1 | 0.5633 | 0.583 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ta3SeI7 | ICSD | 82791 | P6_3mc (186) | ✗ | 22 | 188 | 2 | 0.5635 | 0.581 | 0.000 | (0;000) | ✗ | 04/08/17 |
| InN | ICSD | 41501 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5638 | 1.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2SnTe5 | ICSD | 36215 | I4cm (108) | ✗ | 16 | 124 | 1 | 0.5639 | 0.565 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Y6PtI10 | ICSD | 424468 | P-1 (2) | ✔ | 17 | 146 | 3 | 0.5657 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgBr | COD | 9011682 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5659 | 2.359 | 0.000 | (0;000) | ✗ | 05/01/17 |
| FeTeAs | ICSD | 610529 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.5659 | 0.631 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr3GaN3 | COD | 4313275 | P6_3/m (176) | ✔ | 14 | 116 | 1 | 0.5671 | 0.656 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuCl | COD | 9013927 | Pa3 (205) | ✔ | 16 | 144 | 3 | 0.5672 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbTeI | COD | 1008205 | C2/m (12) | ✔ | 6 | 36 | 2 | 0.5672 | 0.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
| FeH2(CN2)2 | ICSD | 419222 | Pnnm (58) | ✔ | 18 | 76 | 3 | 0.5694 | 0.765 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaSnP | ICSD | 409010 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5734 | 1.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi3Se4Br | ICSD | 411096 | C2/m (12) | ✔ | 16 | 152 | 3 | 0.5735 | 0.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaAg2GeS4 | ICSD | 10040 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.5735 | 1.186 | 0.000 | (0;000) | ✗ | 16/03/17 |
| NbSeI3 | ICSD | 410743 | C2/c (15) | ✔ | 20 | 160 | 2 | 0.5739 | 0.580 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GeAs2 | ICSD | 610601 | Pbam (55) | ✔ | 24 | 112 | 2 | 0.5739 | 0.682 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Si | COD | 9013107 | Fd-3m (227) | ✔ | 2 | 8 | 3 | 0.5742 | 2.519 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbSb | COD | 7221396 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5751 | 0.578 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CdAg2GeS4 | ICSD | 152753 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5754 | 0.575 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CuH | ICSD | 44859 | P6_3mc (186) | ✗ | 4 | 24 | 3 | 0.5757 | 1.488 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl2SiHgSe4 | ICSD | 247763 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.5765 | 0.583 | 0.000 | (0;000) | ✗ | 29/03/17 |
| WO3 | COD | 1521533 | P4/nmm (129) | ✔ | 8 | 92 | 3 | 0.5769 | 0.585 | 0.000 | (0;000) | ✗ | 11/04/17 |
| WO3 | COD | 1004057 | P6/mmm (191) | ✔ | 12 | 96 | 3 | 0.5769 | 1.475 | 0.000 | (0;000) | ✗ | 27/01/17 |