▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |