Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PbSe | ICSD | 74334 | F2mm (42) | ✗ | 4 | 40 | 2 | 0.9339 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbSI | ICSD | 85300 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 0.9346 | 1.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaTe2)2 | ICSD | 659216 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9348 | 0.935 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaTe2)2 | ICSD | 603660 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9356 | 0.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ga2HgSe4 | ICSD | 290394 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9364 | 0.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaMgAs | COD | 9008321 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.9367 | 0.937 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cd(GaTe2)2 | ICSD | 656264 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9368 | 0.937 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VCu3S4 | ICSD | 628947 | P-43m (215) | ✗ | 8 | 70 | 3 | 0.938 | 1.282 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCu2SiSe4 | ICSD | 425556 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 0.9391 | 0.939 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CoAsS | ICSD | 53938 | P2_13 (198) | ✗ | 12 | 80 | 3 | 0.9398 | 1.239 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CI4 | ICSD | 30789 | I-42m (121) | ✗ | 5 | 32 | 1 | 0.9413 | 0.943 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbS | ICSD | 183241 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.9413 | 0.962 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbIrS | ICSD | 74630 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9438 | 1.385 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2Pd3Se4 | ICSD | 648726 | Fddd (70) | ✔ | 18 | 192 | 1 | 0.9443 | 1.050 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Nb(SeCl)2 | COD | 1522780 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.9448 | 1.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PtCl2 | ICSD | 44512 | Pnnm (58) | ✔ | 6 | 48 | 1 | 0.946 | 1.300 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2NiO3 | ICSD | 153094 | C2/m (12) | ✔ | 12 | 68 | 2 | 0.9465 | 1.169 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2NF | ICSD | 262049 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9466 | 0.947 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbCuO2 | COD | 1527506 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.9467 | 1.340 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb3NiF7 | COD | 1531513 | P4/mbm (127) | ✔ | 22 | 172 | 1 | 0.9467 | 0.947 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BiI3 | COD | 1010622 | P-3 (147) | ✔ | 24 | 216 | 2 | 0.947 | 0.947 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnSnP2 | ICSD | 648168 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.9472 | 0.947 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Bi2S3 | ICSD | 153946 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.9478 | 0.980 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSnO3 | ICSD | 188149 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.9479 | 1.373 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZrCoBi | ICSD | 107120 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.9493 | 1.553 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KAuBr4 | COD | 2008114 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.9514 | 0.951 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KPbO2 | ICSD | 65501 | P-1 (2) | ✔ | 16 | 140 | 3 | 0.9519 | 1.102 | 0.000 | (0;000) | ✗ | 10/08/17 |
| K4ZnP2 | ICSD | 67261 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.952 | 1.023 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na4HgP2 | ICSD | 67260 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.9525 | 1.103 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Pb(ClO2)2 | ICSD | 68484 | Ccce (68) | ✔ | 14 | 104 | 2 | 0.953 | 1.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3In2O6 | COD | 2002418 | I4/mmm (139) | ✔ | 11 | 92 | 2 | 0.9533 | 1.427 | 0.000 | (0;000) | ✗ | 21/03/17 |
| PdPbF4 | ICSD | 108992 | I4/mcm (140) | ✔ | 12 | 120 | 3 | 0.9568 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdGeP2 | ICSD | 100467 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.9575 | 0.958 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Na2PdS2 | ICSD | 76533 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9578 | 1.378 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InSn2I5 | ICSD | 151996 | I4/mcm (140) | ✔ | 16 | 152 | 3 | 0.9578 | 0.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrPbS3 | ICSD | 2439 | Pnma (62) | ✔ | 20 | 144 | 3 | 0.958 | 0.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ta(TeBr3)2 | ICSD | 401905 | P-1 (2) | ✔ | 18 | 134 | 2 | 0.9582 | 1.001 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuI | ICSD | 157431 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.9584 | 0.959 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaTe2)2 | ICSD | 25646 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.959 | 0.959 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2Sn2O3 | ICSD | 24816 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.9604 | 0.960 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2VCuSe4 | ICSD | 84303 | Fddd (70) | ✔ | 16 | 132 | 1 | 0.9604 | 1.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2HgSe4 | ICSD | 188545 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9606 | 0.961 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ga2HgSe4 | ICSD | 290392 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9606 | 0.961 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbS | ICSD | 183243 | R3m (160) | ✗ | 2 | 20 | 2 | 0.9607 | 0.966 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CoAsS | ICSD | 69129 | P2_1ab (29) | ✗ | 12 | 80 | 3 | 0.9611 | 1.126 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3BS3 | COD | 1511323 | P2_1/m (11) | ✔ | 14 | 120 | 3 | 0.9641 | 1.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 4124082 | Pcca (54) | ✔ | 24 | 128 | 3 | 0.9643 | 0.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Au2S | COD | 1510461 | Pn-3m (224) | ✔ | 6 | 56 | 3 | 0.9644 | 0.964 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaScCuS3 | ICSD | 659165 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.9651 | 1.125 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2NiO2 | ICSD | 14159 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9652 | 1.341 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba(MgAs)2 | ICSD | 30916 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.9654 | 1.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
| VAgHgO4 | COD | 4308659 | C2 (5) | ✗ | 14 | 120 | 3 | 0.9655 | 1.513 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2Ag2SnSe4 | ICSD | 90119 | P2/c (13) | ✔ | 18 | 156 | 2 | 0.9661 | 0.966 | 0.000 | (0;000) | ✗ | 30/01/17 |
| HgSO4 | ICSD | 28402 | Pc (7) | ✗ | 12 | 84 | 3 | 0.9664 | 1.331 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaAuSe2 | COD | 1510244 | P2_1/c (14) | ✔ | 16 | 128 | 2 | 0.9668 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrZrS3 | ICSD | 23287 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.9675 | 0.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdBiSe2I | ICSD | 171727 | C2/m (12) | ✔ | 10 | 92 | 3 | 0.9676 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2VAgSe4 | ICSD | 50461 | Fddd (70) | ✔ | 16 | 132 | 1 | 0.9678 | 1.066 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Sr2GaCuSO3 | ICSD | 83630 | P4/nmm (129) | ✔ | 16 | 136 | 1 | 0.9682 | 0.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
| I | COD | 1010091 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.9685 | 1.149 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CoAsS | ICSD | 41758 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9695 | 1.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Hg(AsO3)2 | COD | 8101392 | P-31m (162) | ✔ | 9 | 58 | 3 | 0.9726 | 1.700 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaCoO2 | ICSD | 96428 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.9734 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P2Pd2O7 | ICSD | 415239 | C2/c (15) | ✔ | 22 | 176 | 3 | 0.9739 | 1.000 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Bi2S3 | ICSD | 201066 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.9742 | 1.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2BrN | ICSD | 262056 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9748 | 0.975 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CoAsS | ICSD | 41757 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9749 | 1.154 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlSb | ICSD | 151218 | F-43m (216) | ✗ | 2 | 8 | 3 | 0.9754 | 1.422 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2Sn2O3 | COD | 1527186 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.9774 | 0.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Re3Se4Cl | ICSD | 35623 | P-1 (2) | ✔ | 16 | 152 | 3 | 0.9776 | 1.114 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CuRhO2 | COD | 1008162 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.9783 | 1.390 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KTlO2 | ICSD | 33553 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.9793 | 1.140 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(Li2P)2 | ICSD | 416888 | R-3m (166) | ✔ | 7 | 32 | 1 | 0.9815 | 1.785 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2SiTe4 | ICSD | 49751 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.9821 | 1.021 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbO | ICSD | 99777 | P1 (1) | ✗ | 8 | 80 | 2 | 0.9824 | 0.982 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NiO2 | COD | 1522025 | C2/m (12) | ✔ | 3 | 22 | 2 | 0.9834 | 1.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiO2 | ICSD | 88720 | C2/m (12) | ✔ | 3 | 22 | 2 | 0.9834 | 1.142 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(SbO3)2 | ICSD | 71028 | P-31m (162) | ✔ | 9 | 58 | 3 | 0.9839 | 1.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PICl6 | ICSD | 26594 | P-42_1m (113) | ✗ | 16 | 108 | 1 | 0.9841 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
| WS2 | COD | 9009145 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.9842 | 1.553 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Ag2PbO2 | COD | 1509690 | C2/c (15) | ✔ | 10 | 96 | 3 | 0.9851 | 1.337 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Zn(SbO3)2 | COD | 9012739 | P4_2/mnm (136) | ✔ | 18 | 116 | 3 | 0.9854 | 1.087 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(InSe2)2 | ICSD | 620044 | I-42m (121) | ✗ | 7 | 62 | 3 | 0.9858 | 0.986 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KY2CuS4 | ICSD | 97557 | Cmcm (63) | ✔ | 16 | 132 | 3 | 0.986 | 1.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ta(ICl)2 | ICSD | 69688 | Immm (71) | ✔ | 10 | 82 | 1 | 0.9886 | 0.996 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2Sn2O3 | ICSD | 40463 | I2_13 (199) | ✗ | 14 | 128 | 3 | 0.9897 | 0.999 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZrS3 | ICSD | 42073 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.9911 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VCu3S4 | ICSD | 183993 | P-43m (215) | ✗ | 8 | 70 | 3 | 0.9913 | 1.332 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgCO2 | ICSD | 109600 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 0.9917 | 1.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2Pt3S4 | ICSD | 26267 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.9917 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSb2Se3Br2 | ICSD | 159464 | C2/m (12) | ✔ | 16 | 108 | 3 | 0.9933 | 1.005 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfS2 | ICSD | 601164 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 0.9936 | 1.854 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2Pd3Se4 | ICSD | 641300 | Fddd (70) | ✔ | 18 | 192 | 1 | 0.994 | 1.098 | 0.000 | (0;000) | ✗ | 29/03/17 |
| GeSe2 | ICSD | 90956 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.9941 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd2P3I | ICSD | 100816 | Cc (9) | ✗ | 12 | 92 | 3 | 0.9951 | 1.364 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Hg2P3Br | ICSD | 74770 | Pbcn (60) | ✔ | 24 | 184 | 3 | 0.9959 | 1.171 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrLiAs | COD | 4335613 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.996 | 0.996 | 0.000 | (0;000) | ✗ | 30/01/17 |