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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| HgS | ICSD | 169614 | P3_221 (154) | ✗ | 6 | 54 | 3 | 1.5136 | 1.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbSI | ICSD | 28304 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4081 | 1.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn(GaSe2)2 | ICSD | 168594 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.5712 | 1.571 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuHgSCl | ICSD | 98872 | Pmma (51) | ✔ | 16 | 144 | 2 | 1.3992 | 1.571 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAu3Se2 | COD | 1510509 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.108 | 1.572 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ICl3 | COD | 4336764 | P-1 (2) | ✔ | 8 | 56 | 1 | 1.572 | 1.573 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Cd3Te4 | COD | 1521662 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.5731 | 1.573 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Zn(GaSe2)2 | ICSD | 44887 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.5742 | 1.574 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2HgS4 | ICSD | 608160 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 1.5745 | 1.575 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na4SnSe4 | ICSD | 72384 | P-42_1c (114) | ✗ | 18 | 148 | 1 | 1.5747 | 1.575 | 0.000 | (0;000) | ✗ | 29/03/17 |
| GaN5O14 | COD | 4321396 | I-4 (82) | ✗ | 20 | 122 | 2 | 1.5613 | 1.575 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K3SbSe4 | ICSD | 65142 | R3c (161) | ✗ | 16 | 112 | 1 | 1.575 | 1.576 | 0.000 | (0;000) | ✗ | 29/03/17 |
| HgO | COD | 9012530 | Pnma (62) | ✔ | 8 | 72 | 3 | 1.1689 | 1.576 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hf2SN2 | ICSD | 250915 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 0.4848 | 1.577 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2VAgS4 | ICSD | 50460 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3991 | 1.578 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Li6TeO6 | ICSD | 26297 | R-3 (148) | ✔ | 13 | 60 | 3 | 1.5553 | 1.578 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScAg(PSe3)2 | ICSD | 420302 | P-31c (163) | ✔ | 20 | 136 | 2 | 1.5236 | 1.578 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na3AlP2 | ICSD | 73278 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.3748 | 1.578 | 0.000 | (0;000) | ✗ | 30/01/17 |
| YBi2BrO4 | ICSD | 92418 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.1464 | 1.579 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZnSnO3 | ICSD | 50404 | R-3 (148) | ✔ | 10 | 88 | 3 | 1.5281 | 1.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbI2 | ICSD | 60327 | P6_3mc (186) | ✗ | 12 | 112 | 1 | 1.5152 | 1.581 | 0.000 | (0;000) | ✗ | 29/03/17 |
| TaCu3Te4 | ICSD | 80282 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.0131 | 1.581 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiS2 | COD | 9015451 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.5581 | 1.581 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TaCu3Te4 | ICSD | 629308 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.0132 | 1.582 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2HgSe4 | ICSD | 183396 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.582 | 1.582 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2HgSe4 | ICSD | 25638 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.5826 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 422451 | P6_3mc (186) | ✗ | 20 | 112 | 3 | 1.424 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2Hg2PdBr8 | ICSD | 203188 | C2/m (12) | ✔ | 13 | 116 | 1 | 1.533 | 1.584 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAu(SeO4)2 | ICSD | 413989 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.5782 | 1.584 | 0.000 | (0;000) | ✗ | 05/01/17 |
| WO3 | ICSD | 67749 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.5514 | 1.584 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr3Sc2Cu2S2O5 | ICSD | 88425 | I4/mmm (139) | ✔ | 14 | 116 | 1 | 1.5845 | 1.585 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Rb4CO4 | ICSD | 245438 | Cm (8) | ✗ | 9 | 64 | 3 | 1.4937 | 1.585 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgMoH4S4N | ICSD | 236249 | I-4 (82) | ✗ | 11 | 58 | 1 | 1.307 | 1.586 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Tl2SiF6 | ICSD | 52292 | Fm-3m (225) | ✔ | 9 | 72 | 2 | 1.2547 | 1.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ag3AsS3 | COD | 9009991 | R3c (161) | ✗ | 14 | 112 | 3 | 1.0119 | 1.589 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SbO2 | COD | 9012314 | Pnna (52) | ✔ | 24 | 136 | 3 | 0.0 | 1.589 | 1.000 | (0;000) | ✗ | 04/08/17 |
| BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlIn(PSe3)2 | COD | 4000513 | P-1 (2) | ✔ | 20 | 144 | 3 | 1.4879 | 1.591 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2LiVS4 | ICSD | 414186 | Fddd (70) | ✔ | 16 | 116 | 1 | 1.5915 | 1.592 | 0.000 | (0;000) | ✗ | 22/03/17 |
| LiNbO2 | COD | 1008671 | P6_3/mmc (194) | ✔ | 8 | 56 | 2 | 1.5916 | 1.592 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsAu3Se2 | COD | 1510490 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.5634 | 1.592 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiInTe2 | ICSD | 162674 | I-42d (122) | ✗ | 8 | 56 | 3 | 1.5919 | 1.592 | 0.000 | (0;000) | ✗ | 07/10/16 |
| CsCu2Br3 | ICSD | 150304 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.5921 | 1.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlI | COD | 9008795 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 0.7515 | 1.593 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Li2SnTeO6 | ICSD | 40265 | Pnn2 (34) | ✗ | 20 | 124 | 3 | 1.5928 | 1.593 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Na5CuSO2 | ICSD | 412977 | P4/mmm (123) | ✔ | 9 | 74 | 1 | 1.5015 | 1.594 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiO2 | ICSD | 155248 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.4025 | 1.595 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba2InGaO5 | ICSD | 248616 | Ima2 (46) | ✗ | 18 | 152 | 3 | 1.595 | 1.595 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaGa4Se7 | COD | 4316718 | Pc (7) | ✗ | 24 | 208 | 3 | 1.5971 | 1.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
| S2N | COD | 2101578 | P4_2nm (102) | ✗ | 24 | 136 | 1 | 1.4175 | 1.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2PbO2 | ICSD | 2268 | P-1 (2) | ✔ | 20 | 176 | 3 | 1.5836 | 1.598 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MnClO3 | ICSD | 416749 | Ccm2_1 (36) | ✗ | 10 | 80 | 1 | 0.0 | 1.599 | 1.000 | (0;000) | ✔ | 06/10/16 |
| TlI | ICSD | 60491 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 1.5987 | 1.599 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs5Nb2S4Cl9 | ICSD | 410591 | Immm (71) | ✔ | 20 | 158 | 1 | 1.5949 | 1.599 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaS2 | ICSD | 42134 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5646 | 1.599 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Tl2CS3 | ICSD | 420223 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.4572 | 1.600 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2HgSe4 | ICSD | 183502 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.5998 | 1.600 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaO2 | ICSD | 20275 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 1.5999 | 1.600 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl2Hg3S4 | COD | 4000817 | C2/c (15) | ✔ | 18 | 172 | 3 | 1.5047 | 1.601 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(AuO2)2 | COD | 7209402 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.6019 | 1.602 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li4PbO4 | ICSD | 1411 | Cmcm (63) | ✔ | 18 | 100 | 1 | 1.602 | 1.602 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GaCuI4 | ICSD | 400817 | I-4 (82) | ✗ | 6 | 52 | 3 | 1.6021 | 1.602 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaMn2O8 | ICSD | 23443 | Fddd (70) | ✔ | 22 | 176 | 1 | 1.535 | 1.603 | 0.000 | (0;000) | ✗ | 08/08/17 |
| Ba2CdSe3 | ICSD | 66653 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.6033 | 1.603 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaPtO3 | COD | 4343862 | Cmcm (63) | ✔ | 10 | 76 | 2 | 1.5286 | 1.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbYTe2 | ICSD | 419996 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 0.923 | 1.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnTe | ICSD | 80076 | P3_1 (144) | ✗ | 6 | 54 | 3 | 0.2277 | 1.605 | 0.000 | (0;000) | ✔ | 06/10/16 |
| PtO2 | ICSD | 24923 | P6_3mc (186) | ✗ | 6 | 44 | 2 | 1.4599 | 1.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsAuC2 | ICSD | 411251 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.6056 | 1.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2Zr(AgTe2)2 | ICSD | 80195 | C222 (21) | ✗ | 9 | 68 | 2 | 1.2649 | 1.606 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ba4NaCu(CO5)2 | ICSD | 80606 | I-42m (121) | ✗ | 18 | 128 | 1 | 1.1718 | 1.606 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbCaSb | ICSD | 409178 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.5422 | 1.607 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3BiO4 | ICSD | 412393 | P-1 (2) | ✔ | 16 | 132 | 1 | 1.5786 | 1.609 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgN3 | COD | 1010308 | I4/mcm (140) | ✔ | 8 | 52 | 3 | 1.6092 | 1.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca4PdO6 | ICSD | 88134 | R-3c (167) | ✔ | 22 | 188 | 2 | 1.6098 | 1.610 | 0.000 | (0;000) | ✗ | 07/08/17 |
| SnGeS3 | COD | 9005509 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.3882 | 1.610 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(MgAs)2 | COD | 7221199 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1991 | 1.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2PtCl6 | COD | 2105522 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.611 | 1.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InOF | ICSD | 2521 | Fddd (70) | ✔ | 12 | 104 | 3 | 1.6122 | 1.612 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg(AlS2)2 | ICSD | 608441 | R3m (160) | ✗ | 7 | 40 | 2 | 1.4592 | 1.613 | 0.000 | (0;000) | ✗ | 06/10/16 |
| V2O5 | COD | 1011225 | Pmn2_1 (31) | ✗ | 14 | 112 | 2 | 1.4532 | 1.614 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na2PtO3 | ICSD | 25019 | C2/c (15) | ✔ | 24 | 184 | 2 | 1.534 | 1.615 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BiO2 | COD | 9009765 | C2/c (15) | ✔ | 12 | 108 | 3 | 1.529 | 1.615 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaTe | COD | 9008602 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.2448 | 1.616 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaTl2RhF6 | ICSD | 27340 | Fm-3m (225) | ✔ | 10 | 94 | 1 | 1.6166 | 1.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgI | ICSD | 56557 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.3263 | 1.617 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Al4C3 | ICSD | 14397 | R3m (160) | ✗ | 7 | 24 | 3 | 0.8906 | 1.617 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnP2 | COD | 2310696 | P4_12_12 (92) | ✗ | 24 | 176 | 3 | 1.4864 | 1.617 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaS | ICSD | 635254 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 1.0343 | 1.618 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3Sb | COD | 1010289 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.25 | 1.619 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2PdCl4 | COD | 1532216 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.6208 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InTeBr | COD | 1524712 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.6209 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsS3 | ICSD | 24678 | P-1 (2) | ✔ | 16 | 108 | 1 | 1.511 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2PSe5 | ICSD | 418434 | P-1 (2) | ✔ | 16 | 106 | 1 | 1.52 | 1.622 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaSbRu | ICSD | 107123 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.5913 | 1.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cd(GaSe2)2 | ICSD | 619889 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.6245 | 1.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2O2 | COD | 1514089 | P6_3/mmc (194) | ✔ | 8 | 36 | 1 | 1.6247 | 1.625 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hg(AuF4)2 | COD | 1510401 | P4/mcc (124) | ✔ | 22 | 180 | 3 | 1.6236 | 1.625 | 0.000 | (0;000) | ✗ | 07/08/17 |
| LiNbS2 | ICSD | 26284 | P6_3/mmc (194) | ✔ | 8 | 56 | 2 | 0.6953 | 1.625 | 0.000 | (0;000) | ✗ | 27/01/17 |