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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cs2O | COD | 9009127 | R-3m (166) | ✔ | 3 | 24 | 2 | 1.3737 | 2.086 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3AlP2 | ICSD | 73278 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.3748 | 1.578 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaAgTeF | ICSD | 419382 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3753 | 1.375 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AlTlO2 | ICSD | 29010 | R-3m (166) | ✔ | 8 | 56 | 3 | 1.3755 | 1.384 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KPt2S3 | ICSD | 40062 | R-3m (166) | ✔ | 12 | 94 | 2 | 1.3757 | 1.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2PdF4 | ICSD | 71101 | P2_1/c (14) | ✔ | 14 | 128 | 1 | 1.3759 | 1.415 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2Se | ICSD | 41687 | Fdd2 (43) | ✗ | 6 | 48 | 1 | 1.3763 | 1.379 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaHg2IO2 | COD | 9012531 | P6_222 (180) | ✗ | 18 | 156 | 3 | 1.378 | 1.658 | 0.000 | (0;000) | ✗ | 29/03/17 |
| GeI2 | ICSD | 23176 | P-3m1 (164) | ✔ | 9 | 54 | 2 | 1.3784 | 1.659 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InTeI | COD | 1525202 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.3786 | 1.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(AgI2)2 | ICSD | 190587 | I-42m (121) | ✗ | 7 | 62 | 3 | 1.379 | 1.379 | 0.000 | (0;000) | ✗ | 07/10/16 |
| V2O5 | ICSD | 156052 | C2/c (15) | ✔ | 14 | 112 | 3 | 1.3792 | 1.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K(SnSe2)2 | ICSD | 72386 | Cm (8) | ✗ | 14 | 122 | 3 | 1.3797 | 1.505 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Ca3N2 | ICSD | 162794 | C2/m (12) | ✔ | 15 | 120 | 1 | 1.3801 | 1.440 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc2S3 | ICSD | 650835 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.381 | 1.543 | 0.000 | (0;000) | ✗ | 29/03/17 |
| GaP | ICSD | 190425 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.3812 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlSbS2 | COD | 9007704 | P-1 (2) | ✔ | 16 | 120 | 3 | 1.3814 | 1.381 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAg3S2 | COD | 7109277 | Fd-3m (227) | ✔ | 24 | 216 | 3 | 1.3823 | 1.510 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlN3 | ICSD | 34271 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 1.3825 | 1.933 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaNb2O6 | ICSD | 28253 | Pmma (51) | ✔ | 18 | 144 | 3 | 1.3837 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrCuTeF | ICSD | 183708 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3841 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgIBr | ICSD | 109010 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.3842 | 1.389 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2PdO2 | COD | 1528454 | Immm (71) | ✔ | 5 | 36 | 1 | 1.3852 | 1.861 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl6SCl4 | ICSD | 35289 | P4/mnc (128) | ✔ | 22 | 224 | 3 | 1.3864 | 1.386 | 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 |
| IrBr3 | COD | 1527188 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.389 | 1.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaS3 | ICSD | 23637 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 1.3893 | 1.418 | 0.000 | (0;000) | ✗ | 06/10/16 |
| P4Os | ICSD | 647710 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.3925 | 1.534 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3BAsO3 | ICSD | 402682 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 1.3926 | 1.694 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cd(GaSe2)2 | ICSD | 25644 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.3929 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaAlTe2 | ICSD | 44701 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 1.3954 | 1.477 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba2P7Cl | ICSD | 426193 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.3959 | 1.770 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2NaGaP2 | ICSD | 300112 | Ibam (72) | ✔ | 12 | 100 | 1 | 1.3963 | 1.396 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCaCoF6 | ICSD | 32730 | P-31c (163) | ✔ | 18 | 144 | 1 | 1.3971 | 1.400 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAuO2 | COD | 1510261 | Cmcm (63) | ✔ | 8 | 64 | 2 | 1.3974 | 1.777 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CdO2 | ICSD | 36151 | Pa3 (205) | ✔ | 12 | 96 | 3 | 1.3975 | 1.441 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdSiP2 | ICSD | 22188 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3977 | 1.398 | 0.000 | (0;000) | ✗ | 07/10/16 |
| KCu4AsS4 | ICSD | 75430 | P2_1 (4) | ✗ | 20 | 164 | 3 | 1.3981 | 1.462 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaZnSe2 | ICSD | 167832 | P-4m2 (115) | ✗ | 4 | 34 | 2 | 1.3984 | 1.570 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Cs2VAgS4 | ICSD | 50460 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3991 | 1.578 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CuHgSCl | ICSD | 98872 | Pmma (51) | ✔ | 16 | 144 | 2 | 1.3992 | 1.571 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3VS4 | ICSD | 16572 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.4009 | 1.401 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3VS4 | ICSD | 655086 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.4009 | 1.401 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3VS4 | ICSD | 651257 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.4019 | 1.402 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3VS4 | ICSD | 651265 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.4022 | 1.402 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbIF | COD | 9007903 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.4024 | 1.402 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiO2 | ICSD | 155248 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.4025 | 1.595 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaCuSeF | ICSD | 75585 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Tl3VS4 | ICSD | 600245 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrPdF4 | ICSD | 108990 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.4029 | 1.403 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsPdCl3 | ICSD | 89568 | Ibam (72) | ✔ | 20 | 192 | 1 | 1.4033 | 1.403 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsBr2F | ICSD | 84019 | P4/mmm (123) | ✔ | 4 | 30 | 1 | 1.4039 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2TeI6 | ICSD | 23649 | P2_1/c (14) | ✔ | 18 | 132 | 1 | 1.4052 | 1.537 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnS2 | COD | 9009120 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4075 | 1.942 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CrHgO4 | ICSD | 416147 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4079 | 1.427 | 0.000 | (0;000) | ✗ | 27/01/17 |
| As(IF2)3 | COD | 4343792 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.4081 | 1.434 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SbSI | ICSD | 28304 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4081 | 1.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnSO4 | ICSD | 245907 | P-1 (2) | ✔ | 24 | 176 | 3 | 1.4092 | 1.544 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cr2Ag2O7 | COD | 1007030 | P-1 (2) | ✔ | 22 | 184 | 3 | 1.4107 | 1.484 | 0.000 | (0;000) | ✗ | 07/08/17 |
| PbI2 | ICSD | 23763 | P3m1 (156) | ✗ | 21 | 196 | 1 | 1.4109 | 1.411 | 0.000 | (0;000) | ✗ | 07/08/17 |
| BeSiN2 | ICSD | 44112 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.4111 | 1.932 | 0.000 | (0;000) | ✗ | 07/10/16 |
| KTcO4 | COD | 1501467 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.4113 | 0.145 | 1.000 | (0;000) | ✗ | 10/04/17 |
| InSbS3 | ICSD | 300207 | Pnma (62) | ✔ | 20 | 144 | 2 | 1.4119 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaNiF6 | ICSD | 35396 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.4123 | 1.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaHfS3 | ICSD | 619354 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4127 | 1.413 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3BPO3 | ICSD | 402017 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 1.4131 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Pd3S4 | ICSD | 26250 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.4138 | 1.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb(SBr)2 | ICSD | 424413 | P-1 (2) | ✔ | 10 | 78 | 2 | 1.4142 | 1.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Si3N4 | COD | 1524456 | P6_3 (173) | ✗ | 14 | 64 | 3 | 1.4143 | 1.914 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BiSBr | ICSD | 31389 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.4144 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2SnSe3 | COD | 4001782 | Cc (9) | ✗ | 12 | 76 | 1 | 1.4145 | 1.415 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Cd(InS2)2 | COD | 9012323 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 1.4147 | 1.507 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2HgPdCl6 | ICSD | 36616 | I4/mmm (139) | ✔ | 10 | 90 | 2 | 1.417 | 1.502 | 0.000 | (0;000) | ✗ | 02/02/17 |
| IrBr3 | ICSD | 14212 | C2/m (12) | ✔ | 8 | 60 | 2 | 1.4173 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| S2N | COD | 2101578 | P4_2nm (102) | ✗ | 24 | 136 | 1 | 1.4175 | 1.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ga2PbSe4 | ICSD | 635052 | Cccm (66) | ✔ | 14 | 128 | 3 | 1.4183 | 1.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnCdS2 | ICSD | 168375 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 1.4199 | 1.420 | 0.000 | (0;000) | ✗ | 07/10/16 |
| SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl2Sn2S5 | COD | 7221342 | C2/c (15) | ✔ | 18 | 168 | 3 | 1.4213 | 1.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2 | COD | 9013088 | P6_3/mmc (194) | ✔ | 4 | 4 | 1 | 1.4218 | 1.712 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Bi2O3 | ICSD | 422451 | P6_3mc (186) | ✗ | 20 | 112 | 3 | 1.424 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbI2 | ICSD | 24263 | P6_3mc (186) | ✗ | 6 | 56 | 2 | 1.4242 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2PdC2 | ICSD | 421490 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.4251 | 1.457 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C3Cl2O | COD | 7202469 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.4252 | 1.472 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbAgO3 | ICSD | 55649 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.4258 | 1.496 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TiHgO3 | ICSD | 19005 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4258 | 1.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2ZnSe4 | ICSD | 609325 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 1.4262 | 1.426 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdBiS2Br | ICSD | 171725 | C2/m (12) | ✔ | 10 | 92 | 3 | 1.4263 | 1.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| WCl6 | ICSD | 425148 | P-3m1 (164) | ✔ | 21 | 210 | 1 | 1.4267 | 1.427 | 0.000 | (0;000) | ✗ | 08/08/17 |
| PtCCl2O | COD | 2102529 | P4_2/m (84) | ✔ | 20 | 136 | 2 | 1.4271 | 1.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KS | ICSD | 73171 | P-62m (189) | ✗ | 12 | 90 | 1 | 1.4274 | 1.780 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Ba(GaP)2 | COD | 4316404 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.428 | 1.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ti(CuS)4 | ICSD | 82558 | I-42m (121) | ✗ | 9 | 80 | 3 | 1.4281 | 1.713 | 0.000 | (0;000) | ✗ | 07/10/16 |
| TlF | ICSD | 16112 | Pma2 (28) | ✗ | 8 | 80 | 2 | 1.4283 | 1.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsI4 | ICSD | 44621 | P2_1/c (14) | ✔ | 20 | 148 | 1 | 1.4286 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiHgO3 | COD | 1528887 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4307 | 1.431 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbI2 | ICSD | 23762 | P3m1 (156) | ✗ | 15 | 140 | 1 | 1.4309 | 1.431 | 0.000 | (0;000) | ✗ | 29/03/17 |
| AuBr | COD | 1510609 | I4_1/amd (141) | ✔ | 8 | 72 | 3 | 1.431 | 1.431 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdSb6(S2I)4 | ICSD | 27733 | P-1 (2) | ✔ | 19 | 118 | 1 | 1.4312 | 1.431 | 0.000 | (0;000) | ✗ | 02/02/17 |