▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SrGa2 | ICSD | 150473 | P6/mmm (191) | ✔ | 3 | 36 | 2 | 0.0 | 0.002 | 0.595 | (0;001) | ✗ | 27/01/17 |
InClO | ICSD | 24058 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.552 | 2.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Te3 | ICSD | 657608 | R-3m (166) | ✔ | 5 | 44 | 2 | 0.0 | 0.032 | 0.483 | (1;111) | ✗ | 27/01/17 |
ZnCl2 | COD | 9009136 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.1235 | 3.189 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiCl2 | COD | 9009132 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.010 | 0.603 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168810 | R3m (160) | ✗ | 10 | 56 | 2 | 2.2643 | 2.309 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlCl3 | ICSD | 155670 | P-3m1 (164) | ✔ | 4 | 24 | 2 | 0.0 | 0.005 | 0.562 | (0;000) | ✗ | 05/01/17 |
AlClO | COD | 9009194 | Pmmn (59) | ✔ | 6 | 32 | 2 | 3.5066 | 3.673 | 0.000 | (0;000) | ✗ | 05/01/17 |
TeI | ICSD | 108 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4247 | 0.727 | 0.000 | (0;000) | ✔ | 06/10/16 |
Bi2S3 | ICSD | 153946 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.9478 | 0.980 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2S3 | ICSD | 201066 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.9742 | 1.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiCl2 | COD | 9009121 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.003 | 0.554 | (0;000) | ✗ | 27/01/17 |
AlH2PbO2F3 | ICSD | 79740 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.138 | 4.338 | 0.000 | (0;000) | ✗ | 05/01/17 |
OsCl2O | ICSD | 83884 | Immm (71) | ✔ | 4 | 36 | 2 | 0.0 | 0.081 | 0.959 | (0;000) | ✗ | 27/01/17 |
KAlF4 | ICSD | 77913 | P4/mmm (123) | ✔ | 6 | 40 | 2 | 7.3093 | 7.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
KAlF4 | COD | 1000207 | P4/mbm (127) | ✔ | 12 | 80 | 2 | 7.2718 | 7.309 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiSe | ICSD | 20458 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.0 | 0.063 | 0.011 | (0;001) | ✗ | 06/10/16 |
GaGeTe | ICSD | 35386 | R-3m (166) | ✔ | 6 | 46 | 2 | 0.0 | 0.037 | 0.032 | (1;111) | ✗ | 27/01/17 |
NaAlF4 | ICSD | 20572 | P4/mmm (123) | ✔ | 6 | 40 | 2 | 6.0733 | 6.404 | 0.000 | (0;000) | ✗ | 05/01/17 |
RuCl2O | ICSD | 83883 | Immm (71) | ✔ | 4 | 36 | 2 | 0.0 | 0.038 | 0.984 | (0;000) | ✗ | 27/01/17 |
Bi2Se3 | ICSD | 165226 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.2932 | 0.375 | 0.000 | (1;000) | ✗ | 06/10/16 |
AlNF4 | COD | 9016185 | I4/mcm (140) | ✔ | 12 | 72 | 2 | 0.0 | 0.002 | 0.137 | (0;000) | ✗ | 05/01/17 |
RbAlF4 | COD | 1000453 | P4/mmm (123) | ✔ | 6 | 40 | 2 | 7.1638 | 7.596 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbAlF4 | COD | 1000454 | P4/mbm (127) | ✔ | 12 | 80 | 2 | 7.2538 | 7.349 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlTlF4 | COD | 1000222 | P4/mmm (123) | ✔ | 6 | 44 | 2 | 4.0014 | 4.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
PbI2 | ICSD | 24263 | P6_3mc (186) | ✗ | 6 | 56 | 2 | 1.4242 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiGaO2 | ICSD | 28388 | R-3m (166) | ✔ | 4 | 28 | 2 | 4.0872 | 4.268 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlTlF4 | COD | 1000407 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 4.0057 | 4.006 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlTlF4 | COD | 1000410 | C2/c (15) | ✔ | 12 | 88 | 2 | 0.0 | 0.083 | 0.654 | (1;110) | ✗ | 05/01/17 |
Bi2Se3 | ICSD | 171571 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScHCl | ICSD | 40981 | R-3m (166) | ✔ | 6 | 38 | 2 | 0.0 | 0.011 | 0.232 | (0;111) | ✗ | 27/01/17 |
RhCl3 | ICSD | 25764 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.5711 | 1.663 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrCl3 | ICSD | 22080 | C2/m (12) | ✔ | 8 | 70 | 2 | 0.0 | 0.028 | 0.272 | (0;000) | ✗ | 27/01/17 |
Bi2Se3 | ICSD | 60205 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2Te3 | ICSD | 15753 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.0867 | 0.094 | 0.000 | (1;000) | ✗ | 06/10/16 |
FeCl3 | COD | 9012000 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.009 | 0.517 | (0;000) | ✗ | 27/01/17 |
HgNCl3 | COD | 9015637 | P4/mmm (123) | ✔ | 5 | 38 | 2 | 0.0 | 0.003 | 0.149 | (0;110) | ✗ | 27/01/17 |
BaWO4 | ICSD | 155515 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 0.0 | 0.175 | 1.000 | (0;000) | ✔ | 06/10/16 |
Cu2H3ClO3 | COD | 9009464 | P2_1/m (11) | ✔ | 18 | 100 | 2 | 0.0 | 0.024 | 0.386 | (0;001) | ✗ | 27/01/17 |
K2MgCl4 | ICSD | 4035 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 4.9192 | 5.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdBr2 | ICSD | 25782 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 2.6943 | 2.694 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li3AlH6 | COD | 1532615 | R-3 (148) | ✔ | 20 | 36 | 2 | 3.6166 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfNCl | ICSD | 261539 | R-3m (166) | ✔ | 6 | 48 | 2 | 2.0932 | 2.412 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAl(MoO4)2 | ICSD | 28018 | P-3m1 (164) | ✔ | 12 | 88 | 2 | 3.7424 | 3.742 | 0.000 | (0;000) | ✗ | 05/01/17 |
HgH2NCl | ICSD | 92480 | Pmma (51) | ✔ | 10 | 52 | 2 | 2.5214 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbClF | COD | 1011046 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 3.1252 | 3.139 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCoF3 | ICSD | 192150 | Cmcm (63) | ✔ | 10 | 94 | 2 | 0.0 | 0.000 | 0.575 | (0;000) | ✗ | 27/01/17 |
ScCl | COD | 4343683 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.004 | 0.709 | (0;000) | ✗ | 27/01/17 |
YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrNCl | COD | 1521250 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.1497 | 1.792 | 0.000 | (0;000) | ✗ | 27/01/17 |