▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ICl | COD | 9008992 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.6268 | 1.696 | 0.000 | (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 |
Cs2ZrCl6 | COD | 1010224 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 3.6126 | 3.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PtCl6 | COD | 1010238 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.745 | 1.745 | 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 |
Cs2PbCl6 | COD | 1010242 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 1.7069 | 1.707 | 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 |
Cs2TeCl6 | COD | 1010233 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.604 | 2.793 | 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 |
Pt(NCl3)2 | COD | 9016043 | Fm-3m (225) | ✔ | 9 | 62 | 1 | 0.0 | 0.000 | 0.566 | (1;000) | ✗ | 02/02/17 |
K2SnCl6 | COD | 2106487 | P4/mnc (128) | ✔ | 18 | 148 | 1 | 2.7117 | 2.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2OsCl6 | COD | 1011311 | Fm-3m (225) | ✔ | 9 | 76 | 2 | 0.0 | 0.439 | 0.108 | (0;000) | ✗ | 02/02/17 |
K2SnCl6 | COD | 1010173 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 2.3917 | 2.392 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb(NCl3)2 | COD | 9016622 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 0.0 | 0.000 | 0.548 | (1;000) | ✗ | 02/02/17 |
K2TeCl6 | COD | 1010188 | I4/mmm (139) | ✔ | 9 | 66 | 1 | 2.3605 | 2.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3MoCl6 | COD | 1508414 | P-31c (163) | ✔ | 20 | 166 | 1 | 0.0 | 0.000 | 0.214 | (1;000) | ✗ | 02/02/17 |
LiCN | COD | 9008984 | Pnma (62) | ✔ | 12 | 48 | 1 | 5.7574 | 5.757 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2WCl6 | COD | 8100738 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 02/02/17 |
Rb2PdCl6 | COD | 1010889 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.9163 | 0.957 | 0.000 | (0;000) | ✗ | 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 |
Rb2PbCl6 | COD | 1010241 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.5379 | 1.538 | 0.000 | (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 |
Rb2SeCl6 | COD | 1010221 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.4927 | 2.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
CNCl | COD | 2310595 | Pmmn (59) | ✔ | 6 | 32 | 1 | 5.9059 | 6.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
HPbClO | COD | 9008250 | Pnma (62) | ✔ | 16 | 112 | 1 | 3.0497 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbCl(OF3)2 | COD | 4305990 | P2/c (13) | ✔ | 20 | 132 | 1 | 2.0676 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2TeCl6 | COD | 1010192 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 2.4889 | 2.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
ClF3 | COD | 1529706 | Pnma (62) | ✔ | 16 | 112 | 1 | 2.7457 | 2.765 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2ClO | COD | 9009904 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.8283 | 1.933 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2ClO | COD | 2310659 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.3653 | 1.404 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PdI6 | COD | 4300059 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.0 | 0.229 | 0.052 | (0;000) | ✗ | 02/02/17 |
Co(SbO3)2 | COD | 1530639 | P4_2/mnm (136) | ✔ | 18 | 126 | 3 | 0.0 | 0.000 | 0.897 | (0;000) | ✗ | 02/02/17 |
KIn9Co2 | COD | 4301694 | P6/mmm (191) | ✔ | 12 | 160 | 3 | 0.0 | 0.003 | 0.823 | (0;001) | ✗ | 02/02/17 |
PbClO | COD | 9015232 | Pnma (62) | ✔ | 12 | 108 | 1 | 0.0 | 0.001 | 0.436 | (1;011) | ✗ | 02/02/17 |
YMoClO4 | COD | 4304780 | C2/m (12) | ✔ | 14 | 112 | 3 | 2.7876 | 3.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cl2 | COD | 9015583 | P4_2/ncm (138) | ✔ | 16 | 112 | 1 | 0.2095 | 0.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc3Co2Ge3 | COD | 1527681 | Cmcm (63) | ✔ | 16 | 158 | 3 | 0.0 | 0.000 | 0.899 | (1;000) | ✗ | 02/02/17 |
CN | COD | 2310460 | Pbca (61) | ✔ | 16 | 72 | 1 | 5.2499 | 5.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
Co2CuS4 | COD | 9009688 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.886 | (0;000) | ✗ | 02/02/17 |
CoSO4 | COD | 2310569 | P2_1/m (11) | ✔ | 12 | 94 | 1 | 0.0 | 0.001 | 0.773 | (1;010) | ✗ | 02/02/17 |
Cr2CoS4 | COD | 9012046 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.001 | 0.420 | (0;000) | ✗ | 02/02/17 |
Y3GaCo3 | COD | 1525482 | Cmcm (63) | ✔ | 14 | 194 | 3 | 0.0 | 0.000 | 0.884 | (0;000) | ✗ | 02/02/17 |
SrCO3 | COD | 9008198 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.4705 | 4.482 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCoTe2 | COD | 1005003 | Cmce (64) | ✔ | 16 | 168 | 2 | 0.0 | 0.004 | 0.563 | (0;000) | ✗ | 02/02/17 |
Rb2CoI4 | COD | 1525243 | P2_1/m (11) | ✔ | 14 | 126 | 1 | 0.0 | 0.000 | 0.615 | (0;011) | ✗ | 02/02/17 |
CoTeMo | COD | 1521136 | Pmmn (59) | ✔ | 6 | 74 | 1 | 0.0 | 0.000 | 0.828 | (0;000) | ✗ | 02/02/17 |
Cs2PdI6 | COD | 4300058 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.5279 | 0.834 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr2Te3 | COD | 1527084 | P-31c (163) | ✔ | 20 | 184 | 3 | 0.0 | 0.004 | 0.226 | (0;000) | ✗ | 02/02/17 |
NaCr2In(H2O5)2 | COD | 2015315 | C2/m (12) | ✔ | 18 | 114 | 3 | 2.8092 | 2.828 | 0.000 | (0;000) | ✗ | 02/02/17 |