▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb2CuCl3 | ICSD | 150294 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0085 | 2.009 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbCuCl3 | COD | 1527259 | C2 (5) | ✗ | 20 | 164 | 1 | 0.0 | 0.024 | 0.396 | ? | ✗ | 04/08/17 |
SbCl3F2 | COD | 4031372 | I4 (79) | ✗ | 24 | 160 | 1 | 2.0855 | 2.122 | 0.000 | (0;000) | ✗ | 04/08/17 |
SbCl3F2 | ICSD | 380014 | I-4 (82) | ✗ | 24 | 160 | 1 | 1.5218 | 1.557 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ga2HCl3 | COD | 4320174 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 3.9594 | 3.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
MoS2Cl3 | ICSD | 28062 | P2_1/c (14) | ✔ | 24 | 188 | 1 | 1.3573 | 1.390 | 0.000 | (0;000) | ✗ | 04/08/17 |
Se2NCl3 | ICSD | 84030 | P2_1/c (14) | ✔ | 24 | 152 | 1 | 0.7486 | 0.749 | 0.000 | (0;000) | ✗ | 04/08/17 |
ReCl3O2 | ICSD | 416056 | Pnnm (58) | ✔ | 24 | 192 | 1 | 1.9138 | 1.935 | 0.000 | (0;000) | ✗ | 04/08/17 |
ReCl3 | COD | 4343759 | R-3m (166) | ✔ | 24 | 216 | 3 | 0.8 | 0.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
RuCl3 | ICSD | 20717 | P3_112 (151) | ✗ | 24 | 222 | 2 | 0.0 | 0.009 | 0.598 | ? | ✗ | 04/08/17 |
SbS8Cl3 | ICSD | 35741 | P-1 (2) | ✔ | 24 | 148 | 2 | 2.714 | 2.763 | 0.000 | (0;000) | ✗ | 04/08/17 |
TiCl3 | ICSD | 26070 | P3_112 (151) | ✗ | 24 | 198 | 2 | 0.0 | 0.000 | 0.883 | ? | ✗ | 04/08/17 |
WCl3 | ICSD | 109512 | R-3 (148) | ✔ | 24 | 294 | 2 | 0.0 | 0.001 | 0.624 | (0;000) | ✗ | 04/08/17 |
CsFeCl4 | COD | 1527810 | Pnma (62) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.545 | (1;011) | ✗ | 04/08/17 |
CsGaCl4 | COD | 7221990 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7858 | 4.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ir(Cl2F3)2 | ICSD | 411351 | P2_1/c (14) | ✔ | 22 | 174 | 1 | 0.0 | 0.000 | 0.660 | (0;101) | ✗ | 04/08/17 |
KFeCl4 | COD | 4030153 | P2_1 (4) | ✗ | 24 | 180 | 1 | 0.0 | 0.001 | 0.784 | ? | ✗ | 04/08/17 |
NaFeCl4 | COD | 1528827 | P2_12_12_1 (19) | ✗ | 24 | 180 | 1 | 0.0 | 0.000 | 0.328 | ? | ✗ | 04/08/17 |
RbFeCl4 | COD | 4030154 | Pnma (62) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.746 | (1;011) | ✗ | 04/08/17 |
NbCl4F | ICSD | 26155 | P-1 (2) | ✔ | 24 | 192 | 1 | 2.5534 | 2.559 | 0.000 | (0;000) | ✗ | 04/08/17 |
SbCl4F | ICSD | 74783 | I-4 (82) | ✗ | 24 | 160 | 1 | 1.7328 | 1.733 | 0.000 | (0;000) | ✗ | 04/08/17 |
TaCl4F | ICSD | 27413 | I-4 (82) | ✗ | 24 | 192 | 3 | 2.6317 | 2.648 | 0.000 | (0;000) | ✗ | 04/08/17 |
KGaCl4 | COD | 2201772 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 4.597 | 4.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiGaCl4 | ICSD | 60849 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 4.6362 | 4.636 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaGaCl4 | ICSD | 425228 | P2_12_12_1 (19) | ✗ | 24 | 200 | 1 | 4.437 | 4.438 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbGaCl4 | COD | 8100813 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7981 | 4.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlGaCl4 | ICSD | 419825 | Pnma (62) | ✔ | 24 | 216 | 1 | 4.2125 | 4.236 | 0.000 | (0;000) | ✗ | 04/08/17 |
KICl4 | COD | 1010442 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 1.8961 | 1.910 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaScCl4 | ICSD | 402273 | Pbcn (60) | ✔ | 24 | 192 | 1 | 3.843 | 3.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
OsCl4O | ICSD | 417247 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 0.926 | 0.942 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb6Cl4O | ICSD | 405193 | R-3c (167) | ✔ | 22 | 176 | 1 | 1.7803 | 1.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbCl5 | ICSD | 66537 | P2_1/c (14) | ✔ | 24 | 192 | 3 | 2.3549 | 2.360 | 0.000 | (0;000) | ✗ | 04/08/17 |
PCl5 | ICSD | 26048 | P4/n (85) | ✔ | 24 | 160 | 1 | 2.1286 | 2.129 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb3Cu2Cl7 | ICSD | 26369 | Ccce (68) | ✔ | 24 | 196 | 2 | 0.0799 | 0.246 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ga2CuCl8 | COD | 1530952 | P2_1/c (14) | ✔ | 22 | 186 | 2 | 0.0 | 0.000 | 0.665 | (0;010) | ✗ | 04/08/17 |
Pt(SCl4)2 | ICSD | 66012 | P2_1/c (14) | ✔ | 22 | 156 | 1 | 1.8649 | 1.874 | 0.000 | (0;000) | ✗ | 04/08/17 |
RuS3Cl8 | ICSD | 410112 | P-1 (2) | ✔ | 24 | 180 | 2 | 1.8706 | 1.957 | 0.000 | (0;000) | ✗ | 04/08/17 |
MoPCl9 | COD | 2002166 | P-1 (2) | ✔ | 22 | 164 | 1 | 0.0 | 0.003 | 0.367 | (0;010) | ✗ | 04/08/17 |
NbTeCl9 | ICSD | 410946 | P-1 (2) | ✔ | 22 | 164 | 1 | 2.1471 | 2.222 | 0.000 | (0;000) | ✗ | 04/08/17 |
SnPCl9 | ICSD | 60093 | P-1 (2) | ✔ | 22 | 164 | 1 | 2.8264 | 2.826 | 0.000 | (0;000) | ✗ | 04/08/17 |
SbSCl9 | ICSD | 72391 | C2/m (12) | ✔ | 22 | 148 | 1 | 1.8944 | 1.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
TaTeCl9 | ICSD | 410947 | P-1 (2) | ✔ | 22 | 164 | 1 | 2.6089 | 2.669 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsClO4 | ICSD | 63364 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.149 | 6.169 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu2ClO3 | COD | 9004404 | P2_1/c (14) | ✔ | 24 | 188 | 3 | 0.0 | 0.004 | 0.717 | (1;010) | ✗ | 04/08/17 |
CuClF10 | COD | 1529596 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.002 | 0.108 | (0;000) | ✗ | 04/08/17 |
CuClF10 | ICSD | 35387 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.001 | 0.267 | (1;001) | ✗ | 04/08/17 |
Sn2ClF3 | COD | 4031432 | P2_12_12_1 (19) | ✗ | 24 | 224 | 3 | 3.5136 | 3.539 | 0.000 | (0;000) | ✗ | 04/08/17 |
InTeCl | ICSD | 21031 | P2_1/c (14) | ✔ | 24 | 208 | 2 | 1.6881 | 1.688 | 0.000 | (0;000) | ✗ | 04/08/17 |
KClO4 | COD | 1010611 | Pnma (62) | ✔ | 24 | 160 | 1 | 0.0 | 0.022 | 0.014 | (0;000) | ✗ | 04/08/17 |
KClO4 | COD | 9011079 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.1057 | 6.136 | 0.000 | (0;000) | ✗ | 04/08/17 |