▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs3MnCl5 | ICSD | 24 | I4/mcm (140) | ✔ | 18 | 154 | 1 | 0.0 | 0.000 | 0.337 | (1;111) | ✗ | 02/02/17 |
Cs3NiCl5 | COD | 2007345 | I4/mcm (140) | ✔ | 18 | 144 | 1 | 0.0 | 0.018 | 0.280 | (0;000) | ✗ | 02/02/17 |
Cs3ZnCl5 | COD | 2213127 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 4.4993 | 4.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsPb2Cl5 | COD | 4302867 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 3.12 | 3.294 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSn2Cl5 | COD | 1525543 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.919 | 3.043 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3FeCl5 | COD | 1523978 | I4/mcm (140) | ✔ | 18 | 164 | 1 | 0.0 | 0.001 | 0.349 | (1;001) | ✗ | 02/02/17 |
MoS2N2Cl5 | ICSD | 47102 | P-1 (2) | ✔ | 20 | 142 | 1 | 0.5529 | 0.644 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoCl5 | COD | 2101942 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.0 | 0.004 | 0.377 | (1;111) | ✗ | 02/02/17 |
PCl5 | ICSD | 76731 | C2/m (12) | ✔ | 18 | 120 | 1 | 2.0426 | 2.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbCl5 | ICSD | 412111 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 1.8539 | 1.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3CrCl6 | ICSD | 62035 | P-31c (163) | ✔ | 20 | 166 | 1 | 0.0 | 0.000 | 0.176 | (1;000) | ✗ | 02/02/17 |
Cs2GeCl6 | COD | 1010389 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 1.8603 | 1.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2HgPdCl6 | ICSD | 36616 | I4/mmm (139) | ✔ | 10 | 90 | 2 | 1.417 | 1.502 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2KScCl6 | ICSD | 59196 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.2291 | 3.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2LiYCl6 | ICSD | 65731 | Fm-3m (225) | ✔ | 10 | 74 | 2 | 4.9066 | 4.907 | 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 |
Cs2NaYCl6 | ICSD | 245354 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 5.0966 | 5.097 | 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 |
Cs2PtCl6 | COD | 1010238 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.745 | 1.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SeCl6 | COD | 1010222 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.598 | 2.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SnCl6 | COD | 1010228 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 2.8166 | 2.817 | 0.000 | (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 |
Cs2WCl6 | COD | 8100301 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.200 | (0;000) | ✗ | 02/02/17 |
Cs2ZrCl6 | COD | 1010224 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 3.6126 | 3.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsWCl6 | COD | 1527332 | C2/c (15) | ✔ | 16 | 130 | 1 | 0.0 | 0.002 | 0.475 | (1;010) | ✗ | 02/02/17 |
HfFeCl6 | ICSD | 39817 | P-31c (163) | ✔ | 16 | 124 | 2 | 0.7637 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3NaFeCl6 | ICSD | 23182 | R-3m (166) | ✔ | 11 | 86 | 1 | 0.8954 | 0.895 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrFeCl6 | ICSD | 39666 | P-31c (163) | ✔ | 16 | 108 | 2 | 0.7473 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
H8Pt(NCl3)2 | ICSD | 97927 | Fm-3m (225) | ✔ | 17 | 70 | 1 | 1.6827 | 1.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnH8(NCl3)2 | ICSD | 9021 | Fm-3m (225) | ✔ | 17 | 74 | 1 | 2.697 | 2.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnH8(NCl3)2 | COD | 9013381 | Fm-3m (225) | ✔ | 17 | 74 | 1 | 2.5738 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf(Te2Cl3)2 | ICSD | 401589 | P-1 (2) | ✔ | 11 | 78 | 1 | 1.1606 | 1.187 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3InCl6 | ICSD | 154092 | P-31c (163) | ✔ | 20 | 164 | 1 | 4.0782 | 4.095 | 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 |
K2NbCl6 | ICSD | 245749 | P4/mnc (128) | ✔ | 18 | 146 | 1 | 0.0 | 0.000 | 0.921 | (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 |
K2PtCl6 | COD | 2105522 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.611 | 1.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2RuCl6 | ICSD | 8055 | Fm-3m (225) | ✔ | 9 | 76 | 1 | 0.0 | 0.124 | 0.653 | (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 |
K2SnCl6 | COD | 2106487 | P4/mnc (128) | ✔ | 18 | 148 | 1 | 2.7117 | 2.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TeCl6 | COD | 1010188 | I4/mmm (139) | ✔ | 9 | 66 | 1 | 2.3605 | 2.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TiCl6 | ICSD | 26934 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.069 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2WCl6 | ICSD | 409840 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.384 | (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 |
Tl2MoCl6 | ICSD | 408777 | Fm-3m (225) | ✔ | 9 | 82 | 1 | 0.0 | 0.000 | 0.795 | (0;000) | ✗ | 02/02/17 |
FeMoClO4 | ICSD | 202186 | P4/nmm (129) | ✔ | 14 | 106 | 3 | 0.0 | 0.000 | 0.921 | (1;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 |
Pt(NCl3)2 | COD | 9016043 | Fm-3m (225) | ✔ | 9 | 62 | 1 | 0.0 | 0.000 | 0.566 | (1;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 |
Sn(NCl3)2 | COD | 9015542 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 0.0 | 0.000 | 0.534 | (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 |
Na3ScCl6 | ICSD | 166749 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 4.0856 | 4.103 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3TiCl6 | ICSD | 411050 | P2_1/c (14) | ✔ | 20 | 162 | 1 | 0.0 | 0.000 | 0.724 | (0;000) | ✗ | 02/02/17 |
Na3YCl6 | COD | 9007973 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 5.2619 | 5.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSbCl6 | ICSD | 36517 | P4_2/m (84) | ✔ | 16 | 112 | 1 | 2.3564 | 2.356 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbS2NCl6 | ICSD | 2441 | Immm (71) | ✔ | 10 | 64 | 1 | 1.8567 | 1.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(PbCl3)2 | ICSD | 78873 | P2_1/c (14) | ✔ | 18 | 176 | 3 | 1.4312 | 1.530 | 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 |
ICl | ICSD | 26032 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.0 | 0.196 | 0.034 | (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 |
Pd(SCl3)2 | ICSD | 39434 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.4965 | 1.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(SeCl3)2 | ICSD | 39435 | C2/c (15) | ✔ | 18 | 144 | 1 | 1.6214 | 1.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PtCl6 | COD | 1010237 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.7119 | 1.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pt(SCl3)2 | ICSD | 66013 | P-1 (2) | ✔ | 9 | 64 | 1 | 1.6439 | 1.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2PtCl6 | COD | 1010239 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 1.619 | 1.664 | 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 |
Rb2SnCl6 | COD | 1010175 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 2.7072 | 2.707 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2TeCl6 | COD | 1010232 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 2.5055 | 2.733 | 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 |
Rb2WCl6 | COD | 8100738 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 02/02/17 |
Rb2ZrCl6 | COD | 1010223 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 3.5199 | 3.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2SnCl6 | COD | 1010177 | Fm-3m (225) | ✔ | 9 | 82 | 1 | 2.9112 | 2.911 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta(TeCl3)2 | ICSD | 401907 | P-1 (2) | ✔ | 18 | 134 | 1 | 1.1359 | 1.136 | 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 |
Tl2WCl6 | ICSD | 409229 | Fm-3m (225) | ✔ | 9 | 82 | 1 | 0.0 | 0.000 | 0.836 | (0;000) | ✗ | 02/02/17 |
K3Mn2Cl7 | ICSD | 36127 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.004 | 0.851 | (0;000) | ✗ | 02/02/17 |
MoSeCl7O | ICSD | 410101 | P-1 (2) | ✔ | 20 | 150 | 3 | 0.0 | 0.006 | 0.133 | (1;100) | ✗ | 02/02/17 |
Li6FeCl8 | ICSD | 73217 | Fm-3m (225) | ✔ | 15 | 82 | 2 | 0.6417 | 0.642 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Hg2PdCl8 | ICSD | 203187 | C2/m (12) | ✔ | 13 | 116 | 1 | 1.737 | 1.763 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Hg2PdCl8 | ICSD | 203186 | C2/m (12) | ✔ | 13 | 124 | 1 | 1.6229 | 1.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbI3Cl8 | ICSD | 26402 | P-1 (2) | ✔ | 12 | 82 | 3 | 1.2444 | 1.285 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc5NCl8 | ICSD | 60856 | C2/m (12) | ✔ | 14 | 116 | 3 | 0.0 | 0.006 | 0.132 | (0;110) | ✗ | 02/02/17 |
Nb2Tl5S4Cl9 | ICSD | 417942 | Immm (71) | ✔ | 20 | 178 | 1 | 1.5376 | 1.546 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2CoClO3 | ICSD | 91750 | P4/nmm (129) | ✔ | 14 | 124 | 1 | 0.0 | 0.018 | 0.197 | (0;001) | ✗ | 02/02/17 |
CuHgSeCl | COD | 1001109 | Pbam (55) | ✔ | 16 | 144 | 3 | 0.868 | 0.874 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHgSCl | ICSD | 98872 | Pmma (51) | ✔ | 16 | 144 | 2 | 1.3992 | 1.571 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHClO | ICSD | 38384 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.014 | 0.317 | (1;000) | ✗ | 02/02/17 |
CuHClO | ICSD | 91088 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.030 | 0.337 | (0;001) | ✗ | 02/02/17 |
CuCl | COD | 9013927 | Pa3 (205) | ✔ | 16 | 144 | 3 | 0.5672 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe2Cl | ICSD | 68292 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.7697 | 0.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuTe2Cl | ICSD | 641 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.517 | 0.717 | 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 |
ReNClF5 | ICSD | 33542 | P2_1/m (11) | ✔ | 16 | 124 | 1 | 1.9084 | 1.916 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuCl(OF3)2 | ICSD | 63686 | P2/c (13) | ✔ | 20 | 154 | 1 | 0.0 | 0.000 | 0.978 | (1;010) | ✗ | 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 |
SbClF8 | COD | 1533112 | P-1 (2) | ✔ | 20 | 136 | 1 | 3.0697 | 3.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiFeMoClO4 | ICSD | 65346 | P2_1/m (11) | ✔ | 16 | 112 | 3 | 0.0 | 0.033 | 0.657 | (1;000) | ✗ | 02/02/17 |
Sr2FeClO3 | ICSD | 93508 | P4/nmm (129) | ✔ | 14 | 106 | 1 | 0.0 | 0.000 | 0.744 | (0;000) | ✗ | 02/02/17 |
Na6S2ClO8F | ICSD | 52291 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.8534 | 4.856 | 0.000 | (0;000) | ✗ | 02/02/17 |