| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pt(SCl3)2 | ICSD | 66013 | P-1 (2) | ✔ | 9 | 64 | 1 | 1.6439 | 1.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 155250 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.0 | 0.000 | 0.007 | (0;000) | ✔ | 15/02/17 |
| SiO2 | ICSD | 155249 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.2786 | 2.921 | 0.000 | (0;000) | ✗ | 15/02/17 |
| GePt2 | ICSD | 637640 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.334 | (0;000) | ✔ | 11/04/17 |
| Rb2WBr6 | ICSD | 402439 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.350 | (0;000) | ✗ | 02/02/17 |
| BaYFeCuO5 | ICSD | 71355 | P4mm (99) | ✗ | 9 | 70 | 3 | 0.0 | 0.001 | 0.784 | ? | ✗ | 15/02/17 |
| SiO2 | ICSD | 155251 | P3_221 (154) | ✗ | 9 | 48 | 1 | 2.2214 | 2.340 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Rb2TeCl6 | COD | 1010232 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 2.5055 | 2.733 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2PdBr6 | COD | 1010637 | Fm-3m (225) | ✔ | 9 | 78 | 2 | 0.0222 | 0.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr5Te4 | COD | 8101423 | I4/m (87) | ✔ | 9 | 44 | 3 | 0.0 | 0.001 | 0.690 | (1;111) | ✗ | 02/02/17 |
| Pd(SCl3)2 | ICSD | 39434 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.4965 | 1.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ru(N3Cl)2 | COD | 9014997 | Fm-3m (225) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.452 | (0;000) | ✗ | 02/02/17 |
| Al2W | COD | 1528542 | P6_422 (181) | ✗ | 9 | 60 | 3 | 0.0 | 0.001 | 0.529 | ? | ✗ | 15/02/17 |
| Rb2PdCl6 | COD | 1010889 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.9163 | 0.957 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2Os(Cl2O)2 | COD | 1010629 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 0.7524 | 0.803 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2WCl6 | COD | 8100301 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.200 | (0;000) | ✗ | 02/02/17 |
| K2OsBr6 | COD | 1011312 | Fm-3m (225) | ✔ | 9 | 76 | 2 | 0.0 | 0.441 | 0.133 | (0;000) | ✗ | 02/02/17 |
| Ag8S | COD | 2105382 | Imm2 (44) | ✗ | 9 | 94 | 3 | 0.0 | 0.003 | 0.259 | (1;100) | ✔ | 26/04/17 |
| Rb2Pt3S4 | ICSD | 26267 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.9917 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Pd(IBr2)2 | ICSD | 240481 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.0 | 0.409 | 0.097 | (0;000) | ✗ | 02/02/17 |
| Rb2TiCl6 | COD | 1010193 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.2001 | 2.243 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaV2O6 | ICSD | 21064 | C2/m (12) | ✔ | 9 | 72 | 1 | 2.8183 | 2.818 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2SeCl6 | COD | 1010222 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.598 | 2.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PtBr6 | COD | 5910135 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.0213 | 1.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg(ClO3)2 | COD | 9014683 | C2/m (12) | ✔ | 9 | 60 | 1 | 0.0 | 0.007 | 0.584 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 155241 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.4447 | 1.658 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Rb2TeBr6 | ICSD | 49522 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8651 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| V2CdO6 | ICSD | 21065 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.2965 | 2.306 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Se(Br3N)2 | COD | 9015666 | Fm-3m (225) | ✔ | 9 | 58 | 1 | 0.0 | 0.012 | 0.593 | (0;000) | ✗ | 02/02/17 |
| Sr2Ti2As2OF2 | ICSD | 167013 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 0.0 | 0.012 | 0.752 | (0;111) | ✗ | 21/03/17 |
| NaTi2HO5 | ICSD | 162109 | P1 (1) | ✗ | 9 | 64 | 2 | 0.0 | 0.029 | 0.322 | (0;000) | ✔ | 15/02/17 |
| K2SeBr6 | COD | 1010627 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.6082 | 1.983 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeBr6 | ICSD | 65118 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.952 | 2.209 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2GeCl6 | COD | 1010389 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 1.8603 | 1.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KBe2BO3F2 | ICSD | 77277 | R32 (155) | ✗ | 9 | 52 | 1 | 6.2765 | 6.286 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ti(NCl)4 | COD | 9015114 | I4/mmm (139) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.840 | (1;000) | ✗ | 02/02/17 |
| Pd(SeBr3)2 | ICSD | 405774 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.2955 | 1.324 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2SnBr6 | ICSD | 158955 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.3293 | 1.329 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2MoCl6 | COD | 8102884 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.190 | (0;000) | ✗ | 02/02/17 |
| Sr2Cu2Ni(SO)2 | ICSD | 88424 | I4/mmm (139) | ✔ | 9 | 76 | 1 | 0.0 | 0.022 | 0.476 | (1;000) | ✗ | 22/03/17 |
| SiO2 | COD | 9012605 | P3_121 (152) | ✗ | 9 | 48 | 3 | 6.1021 | 6.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2SnCl6 | COD | 1010228 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 2.8166 | 2.817 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Zr(AgTe2)2 | ICSD | 80195 | C222 (21) | ✗ | 9 | 68 | 2 | 1.2649 | 1.606 | 0.000 | (0;000) | ✗ | 16/03/17 |
| GePd2 | ICSD | 637541 | P-62m (189) | ✗ | 9 | 120 | 3 | 0.0 | 0.000 | 0.358 | (0;000) | ✔ | 26/04/17 |
| Pt(NCl3)2 | COD | 9016043 | Fm-3m (225) | ✔ | 9 | 62 | 1 | 0.0 | 0.000 | 0.566 | (1;000) | ✗ | 02/02/17 |
| Te(NCl3)2 | COD | 9016366 | Fm-3m (225) | ✔ | 9 | 58 | 2 | 0.0 | 0.003 | 0.652 | (0;000) | ✗ | 02/02/17 |
| Se(NCl3)2 | COD | 9016312 | Fm-3m (225) | ✔ | 9 | 58 | 1 | 0.0 | 0.000 | 0.420 | (1;000) | ✗ | 02/02/17 |
| Y3Al3NiGe2 | ICSD | 76297 | P-62m (189) | ✗ | 9 | 60 | 3 | 0.0 | 0.000 | 0.624 | ? | ✗ | 15/02/17 |
| Rb2Pd(IBr2)2 | ICSD | 412835 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.6102 | 0.941 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2PbCl6 | COD | 1010242 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 1.7069 | 1.707 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2HfI6 | COD | 1530776 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 1.9255 | 1.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScAgSn | COD | 4307156 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.237 | (0;000) | ✔ | 13/04/17 |
| SiO2 | ICSD | 155252 | P3_221 (154) | ✗ | 9 | 48 | 1 | 2.8856 | 3.133 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Tl2MoCl6 | ICSD | 408777 | Fm-3m (225) | ✔ | 9 | 82 | 1 | 0.0 | 0.000 | 0.795 | (0;000) | ✗ | 02/02/17 |
| Cs2PtBr6 | ICSD | 77381 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.9269 | 0.961 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 77681 | P6_222 (180) | ✗ | 9 | 48 | 3 | 0.0 | 0.010 | 0.422 | ? | ✗ | 15/02/17 |
| Rb2PtCl6 | COD | 1010237 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.7119 | 1.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2Fe2S5 | ICSD | 32551 | R-3m (166) | ✔ | 9 | 72 | 2 | 0.1302 | 0.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2Pd(ICl2)2 | ICSD | 240484 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.0 | 0.031 | 0.268 | (1;111) | ✗ | 02/02/17 |
| Zr2Ni7 | ICSD | 647170 | C2/m (12) | ✔ | 9 | 78 | 3 | 0.0 | 0.018 | 0.476 | (0;000) | ✗ | 29/03/17 |
| SnI2 | ICSD | 2831 | C2/m (12) | ✔ | 9 | 84 | 3 | 1.373 | 1.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pt(S3N)2 | COD | 9015488 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.002 | 0.439 | (0;000) | ✗ | 02/02/17 |
| K2Hg7 | ICSD | 107482 | P-3m1 (164) | ✔ | 9 | 102 | 3 | 0.0 | 0.000 | 0.665 | (0;001) | ✗ | 02/02/17 |
| Sn(NCl3)2 | COD | 9015542 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 0.0 | 0.000 | 0.534 | (1;000) | ✗ | 02/02/17 |
| K2WCl6 | ICSD | 409840 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.384 | (0;000) | ✗ | 02/02/17 |
| Na3SO4F | COD | 9000296 | R3m (160) | ✗ | 9 | 64 | 3 | 3.735 | 3.735 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PbI2 | COD | 9009141 | P3m1 (156) | ✗ | 9 | 84 | 1 | 1.4418 | 1.442 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2TiCl6 | ICSD | 26934 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.069 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Hg7 | ICSD | 107483 | P-3m1 (164) | ✔ | 9 | 102 | 3 | 0.0 | 0.003 | 0.699 | (0;000) | ✗ | 02/02/17 |
| NaNiIO6 | ICSD | 23543 | P312 (149) | ✗ | 9 | 62 | 2 | 1.4416 | 1.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SO2 | COD | 7103014 | P3_221 (154) | ✗ | 9 | 54 | 3 | 0.0 | 0.013 | 0.317 | (1;100) | ✔ | 15/02/17 |
| BaI2 | ICSD | 36210 | P-62m (189) | ✗ | 9 | 72 | 1 | 2.639 | 2.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Rb2SnBr6 | ICSD | 158956 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.2508 | 1.251 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCl2 | ICSD | 2190 | P-62m (189) | ✗ | 9 | 72 | 1 | 4.5187 | 4.519 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiPt2 | ICSD | 649614 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.290 | (1;000) | ✔ | 26/04/17 |
| Rb2SnCl6 | COD | 1010175 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 2.7072 | 2.707 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 171573 | P3_221 (154) | ✗ | 9 | 48 | 1 | 0.0 | 0.004 | 0.623 | ? | ✗ | 15/02/17 |
| Cs2PdI6 | COD | 4300058 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.5279 | 0.834 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2TiCl6 | COD | 1010219 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.2724 | 2.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CS2 | COD | 9015270 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.0 | 0.007 | 0.167 | (0;000) | ✔ | 15/03/17 |
| KNiIO6 | ICSD | 60313 | P312 (149) | ✗ | 9 | 62 | 3 | 0.9095 | 0.930 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Pb(NCl3)2 | COD | 9016622 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 0.0 | 0.000 | 0.548 | (1;000) | ✗ | 02/02/17 |
| Rb2SeCl6 | COD | 1010221 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.4927 | 2.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2PbCl6 | COD | 1010241 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.5379 | 1.538 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2PdI6 | COD | 1526585 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.0 | 0.222 | 0.082 | (0;000) | ✗ | 02/02/17 |
| Cs2Pt3S4 | ICSD | 26266 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.1613 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Pt3Se4 | ICSD | 33893 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.2542 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SnI6 | COD | 4335642 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 0.0894 | 0.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2TeBr6 | ICSD | 65058 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8801 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2MoCl6 | ICSD | 26643 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 155248 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.4025 | 1.595 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiPd2 | ICSD | 648857 | P-62m (189) | ✗ | 9 | 120 | 3 | 0.0 | 0.000 | 0.277 | (1;000) | ✔ | 24/04/17 |
| Na6ZnSn2 | COD | 4101591 | C2/m (12) | ✔ | 9 | 94 | 1 | 0.0 | 0.072 | 0.126 | (0;000) | ✗ | 02/02/17 |
| S | COD | 9014401 | P3_221 (154) | ✗ | 9 | 54 | 1 | 1.6752 | 1.727 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2Ni3Se4 | ICSD | 33891 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.6 | 0.806 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Ni3S4 | ICSD | 627055 | Fmmm (69) | ✔ | 9 | 72 | 2 | 0.3986 | 0.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PtS6 | COD | 9014681 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 0.0611 | 0.079 | 0.000 | (1;000) | ✗ | 02/02/17 |
| Cs2Pd3Se4 | ICSD | 33892 | Fmmm (69) | ✔ | 9 | 96 | 1 | 1.0442 | 1.135 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdI2 | ICSD | 42207 | P3m1 (156) | ✗ | 9 | 78 | 1 | 1.9676 | 2.198 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2SnBr6 | ICSD | 158957 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.1057 | 1.106 | 0.000 | (0;000) | ✗ | 02/02/17 |