Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ba2HN | COD | 4030485 | R-3m (166) | ✔ | 4 | 26 | 1 | 1.046 | 1.336 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ClO3 | ICSD | 61334 | Cc (9) | ✗ | 16 | 100 | 1 | 1.0463 | 1.055 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Bi(TeBr2)2 | ICSD | 83806 | P-1 (2) | ✔ | 14 | 110 | 3 | 1.0464 | 1.099 | 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 |
| SbTeIr | ICSD | 640967 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0495 | 1.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CaPdF4 | ICSD | 32674 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.0496 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiAuS | COD | 4319429 | Fddd (70) | ✔ | 12 | 80 | 3 | 1.05 | 1.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2Pd3S8 | COD | 1527147 | P-3m1 (164) | ✔ | 13 | 112 | 3 | 1.0522 | 1.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sn4SI6 | COD | 7221344 | C2/m (12) | ✔ | 22 | 208 | 3 | 1.0535 | 1.123 | 0.000 | (0;000) | ✗ | 07/08/17 |
| VPO5 | ICSD | 108983 | P4/n (85) | ✔ | 14 | 96 | 3 | 1.0535 | 1.201 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg3P2 | COD | 1011277 | Pn-3m (224) | ✔ | 10 | 80 | 1 | 1.0541 | 1.179 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CrHg5O6 | COD | 9004355 | C2/c (15) | ✔ | 24 | 220 | 3 | 1.055 | 1.166 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2P2Pd | ICSD | 15584 | Cmcm (63) | ✔ | 10 | 92 | 1 | 1.0553 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2HgTe4 | ICSD | 25641 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.0557 | 1.056 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlP5 | COD | 1527898 | Pmc2_1 (26) | ✗ | 24 | 152 | 1 | 1.0559 | 1.181 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Y2Se3 | ICSD | 652183 | Fddd (70) | ✔ | 20 | 160 | 3 | 1.0568 | 1.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Au2O3 | COD | 2105390 | Fdd2 (43) | ✗ | 10 | 80 | 3 | 1.0569 | 1.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaS | COD | 9016579 | Pnma (62) | ✔ | 8 | 64 | 1 | 1.0583 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSiTe3 | ICSD | 61397 | Cc (9) | ✗ | 20 | 124 | 1 | 1.0584 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
| P2Pt | COD | 9015563 | Pa3 (205) | ✔ | 12 | 80 | 3 | 1.0589 | 1.460 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbS | ICSD | 68712 | C2 (5) | ✗ | 4 | 40 | 2 | 1.0591 | 1.094 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbTe2F6 | COD | 4031419 | P-1 (2) | ✔ | 18 | 118 | 2 | 1.0596 | 1.284 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCuO | ICSD | 40161 | Cmcm (63) | ✔ | 6 | 52 | 3 | 1.0614 | 1.065 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PdSe2O5 | COD | 4333284 | C2/c (15) | ✔ | 16 | 120 | 2 | 1.0614 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnSe | ICSD | 71338 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.0615 | 1.067 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca(CuS)2 | COD | 4001658 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 1.0638 | 1.064 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiInMo3O8 | ICSD | 30579 | P3m1 (156) | ✗ | 13 | 106 | 3 | 1.0638 | 1.091 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Y2CdS4 | ICSD | 620371 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 1.0639 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCoO2 | COD | 4505482 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0657 | 1.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaCl4 | ICSD | 402406 | C2/m (12) | ✔ | 10 | 82 | 1 | 1.0671 | 1.181 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlAgSe2 | ICSD | 28745 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.0674 | 1.073 | 0.000 | (0;000) | ✗ | 07/10/16 |
| HfAg2S3 | COD | 1509813 | Cmce (64) | ✔ | 24 | 208 | 3 | 1.0678 | 1.340 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2ZrSe3 | ICSD | 412158 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.0681 | 1.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In5S5Br | ICSD | 414219 | Pmn2_1 (31) | ✗ | 22 | 204 | 3 | 1.0705 | 1.216 | 0.000 | (0;000) | ✗ | 07/08/17 |
| K2CuSb | ICSD | 53298 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.0717 | 1.239 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnS | ICSD | 79374 | C2me (39) | ✗ | 4 | 40 | 2 | 1.0723 | 1.072 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiI3 | ICSD | 187304 | P-31m (162) | ✔ | 8 | 72 | 2 | 1.0725 | 1.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BAs | ICSD | 181292 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.0744 | 3.121 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ag2TeS3 | ICSD | 85135 | Cc (9) | ✗ | 12 | 92 | 3 | 1.0746 | 1.075 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PRhSe | ICSD | 648002 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0753 | 1.349 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdBiSe2Br | ICSD | 171726 | Pnma (62) | ✔ | 20 | 184 | 3 | 1.0754 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReNCl4 | ICSD | 419181 | I4 (79) | ✗ | 6 | 48 | 2 | 1.0756 | 1.276 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2S | ICSD | 27461 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.076 | 1.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3(GaP2)2 | ICSD | 423782 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.0762 | 1.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrS3 | ICSD | 23638 | Cc2e (41) | ✗ | 8 | 56 | 1 | 1.0789 | 1.079 | 0.000 | (0;000) | ✗ | 06/10/16 |
| IrF3 | COD | 2310601 | R-3c (167) | ✔ | 8 | 76 | 3 | 1.079 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdSnO3 | ICSD | 165167 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.0793 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrSnS3 | ICSD | 651032 | Pnma (62) | ✔ | 20 | 168 | 2 | 1.0794 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbI3(BrCl3)2 | ICSD | 26404 | P-1 (2) | ✔ | 12 | 82 | 1 | 1.0807 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCuSe4 | ICSD | 404225 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.0816 | 1.103 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnSiAs2 | ICSD | 611417 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.0819 | 1.082 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HgPSe3 | ICSD | 639132 | C2/c (15) | ✔ | 20 | 140 | 2 | 1.082 | 1.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2MgSe4 | ICSD | 76052 | Fd-3m (227) | ✔ | 14 | 112 | 3 | 1.0839 | 1.084 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiAsS2 | ICSD | 419061 | Cc (9) | ✗ | 8 | 40 | 1 | 1.0844 | 1.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2Pd3S4 | ICSD | 648723 | Fddd (70) | ✔ | 18 | 192 | 1 | 1.0853 | 1.222 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Sb2S3 | COD | 9007243 | Pnma (62) | ✔ | 20 | 112 | 2 | 1.0863 | 1.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KTeP2 | COD | 4105329 | P2_1/m (11) | ✔ | 16 | 100 | 1 | 1.0863 | 1.302 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3SbS3 | ICSD | 603664 | R3m (160) | ✗ | 7 | 62 | 2 | 1.0866 | 0.290 | 1.000 | (0;000) | ✗ | 06/10/16 |
| YCu(WO4)2 | ICSD | 36622 | P1 (1) | ✗ | 12 | 126 | 3 | 1.0866 | 1.304 | 0.000 | (0;000) | ✗ | 11/04/17 |
| PdSeO3 | COD | 4333283 | P2_1/m (11) | ✔ | 10 | 84 | 2 | 1.0869 | 1.368 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbCuPdSe5 | COD | 4313763 | P2_1/m (11) | ✔ | 16 | 136 | 1 | 1.0871 | 1.125 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScOF | COD | 1525435 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.0872 | 1.093 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn(InSe2)2 | ICSD | 25647 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0876 | 1.088 | 0.000 | (0;000) | ✗ | 06/10/16 |
| S(IN)2 | ICSD | 72363 | P-1 (2) | ✔ | 20 | 120 | 2 | 1.0885 | 1.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pd(Se3Cl)2 | ICSD | 405207 | P2_1/c (14) | ✔ | 18 | 136 | 1 | 1.0887 | 1.107 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgI2 | COD | 2103470 | P4_2/nmc (137) | ✔ | 24 | 208 | 3 | 1.0894 | 1.089 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Tl2TeS3 | COD | 4001280 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.0895 | 1.190 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K3Ag3As2 | COD | 7209371 | R-3m (166) | ✔ | 8 | 70 | 1 | 1.0898 | 1.090 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaP10 | ICSD | 35295 | Cmc2_1 (36) | ✗ | 22 | 120 | 1 | 1.0907 | 1.345 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ag2HgSI2 | ICSD | 413300 | Cmc2_1 (36) | ✗ | 12 | 108 | 3 | 1.0911 | 1.122 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SrS | ICSD | 52111 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 1.0911 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiYSe2 | ICSD | 44963 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.0914 | 2.359 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TlIn5S6 | ICSD | 56388 | P2_1/m (11) | ✔ | 24 | 228 | 3 | 1.0914 | 1.183 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K(SbSe2)2 | ICSD | 402886 | P-1 (2) | ✔ | 14 | 86 | 3 | 1.0916 | 1.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd2GaAgS4 | COD | 2205826 | Pmn2_1 (31) | ✗ | 16 | 144 | 3 | 1.0918 | 1.092 | 0.000 | (0;000) | ✗ | 16/03/17 |
| NaAuC2 | ICSD | 411254 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.092 | 1.389 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Br2O | ICSD | 50198 | Pna2_1 (33) | ✗ | 12 | 80 | 2 | 1.0922 | 1.294 | 0.000 | (0;000) | ✗ | 21/03/17 |
| MgTe2 | ICSD | 41733 | Pa3 (205) | ✔ | 12 | 88 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HPb2IO2 | ICSD | 192170 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2TeI6 | ICSD | 38105 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.0948 | 1.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCuPdSe5 | COD | 4313762 | P2_1/m (11) | ✔ | 16 | 136 | 1 | 1.0951 | 1.137 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PI2 | ICSD | 36293 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.0952 | 1.146 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb(SbSe2)2 | ICSD | 402887 | P-1 (2) | ✔ | 14 | 86 | 3 | 1.0963 | 1.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgI | COD | 9016417 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.0965 | 1.460 | 0.000 | (0;000) | ✗ | 29/03/17 |
| NaBeH3 | COD | 4343940 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 1.0974 | 4.012 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ReNCl4 | ICSD | 10126 | P1 (1) | ✗ | 6 | 48 | 1 | 1.098 | 1.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KMgSb | COD | 9008327 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.0987 | 1.115 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KAg2PS4 | ICSD | 420033 | I-42m (121) | ✗ | 8 | 60 | 3 | 1.0995 | 1.796 | 0.000 | (0;000) | ✗ | 16/03/17 |
| PbI2 | COD | 1011333 | P-3m1 (164) | ✔ | 3 | 28 | 2 | 1.1015 | 2.099 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Hg2P3Cl | ICSD | 74771 | C2/c (15) | ✔ | 12 | 92 | 3 | 1.102 | 1.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2GeO4 | ICSD | 182051 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 1.1021 | 1.102 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GeS | ICSD | 1256 | Pmcn (62) | ✔ | 8 | 40 | 2 | 1.1038 | 1.104 | 0.000 | (0;000) | ✗ | 06/10/16 |
| B2AsP | ICSD | 181293 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 1.104 | 1.257 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2Sn(AsS3)2 | COD | 4318214 | P-3 (147) | ✔ | 11 | 78 | 1 | 1.1045 | 1.369 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdP2 | COD | 1528584 | P4_32_12 (96) | ✗ | 24 | 176 | 3 | 1.1046 | 1.251 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AgI | ICSD | 161579 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1056 | 1.107 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr4As2O | ICSD | 33904 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.1057 | 1.131 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2SnBr6 | ICSD | 158957 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.1057 | 1.106 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnI2 | COD | 9009137 | R-3m (166) | ✔ | 3 | 26 | 2 | 1.1064 | 1.334 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2Sn2Se5 | ICSD | 72379 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.1071 | 1.260 | 0.000 | (0;000) | ✗ | 02/02/17 |