▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
FeCl2 | COD | 9014952 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4967 | 0.504 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCl2 | COD | 9015767 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5433 | 0.550 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgH4(ClO5)2 | COD | 2104833 | C2/m (12) | ✔ | 17 | 88 | 2 | 3.083 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgH4(ClO)2 | COD | 2103098 | C2/m (12) | ✔ | 9 | 40 | 2 | 5.5706 | 5.571 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnH8(N2Cl)2 | ICSD | 15875 | C2/m (12) | ✔ | 15 | 54 | 2 | 3.8143 | 4.554 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg(NCl)2 | COD | 9008060 | Cmmm (65) | ✔ | 5 | 36 | 2 | 0.0 | 0.000 | 0.623 | (0;001) | ✗ | 27/01/17 |
HgPb2(ClO)2 | ICSD | 74973 | C2/m (12) | ✔ | 7 | 66 | 2 | 2.0457 | 2.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgCl2 | COD | 9008046 | Pbam (55) | ✔ | 12 | 104 | 3 | 0.0 | 0.078 | 0.630 | (1;000) | ✗ | 27/01/17 |
MgCl2 | COD | 8103685 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 5.5256 | 5.526 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCl2 | COD | 9009129 | R-3m (166) | ✔ | 3 | 24 | 2 | 5.3598 | 5.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni(ClO4)2 | ICSD | 33289 | R-3 (148) | ✔ | 11 | 72 | 2 | 0.0 | 0.018 | 0.403 | (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 |
OsCl2O | ICSD | 83884 | Immm (71) | ✔ | 4 | 36 | 2 | 0.0 | 0.081 | 0.959 | (0;000) | ✗ | 27/01/17 |
Pd2Cl2O | ICSD | 61333 | I4_1/amd (141) | ✔ | 10 | 112 | 3 | 0.8284 | 1.027 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuCl2O | ICSD | 83883 | Immm (71) | ✔ | 4 | 36 | 2 | 0.0 | 0.038 | 0.984 | (0;000) | ✗ | 27/01/17 |
PdCl2 | ICSD | 421220 | P2/m (10) | ✔ | 6 | 64 | 1 | 0.7541 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdCl2 | ICSD | 421221 | P2_1/c (14) | ✔ | 6 | 64 | 2 | 0.6974 | 1.132 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdCl2 | COD | 1010447 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.7905 | 1.217 | 0.000 | (0;000) | ✗ | 27/01/17 |
PtCl2 | ICSD | 44512 | Pnnm (58) | ✔ | 6 | 48 | 1 | 0.946 | 1.300 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCl2 | COD | 1010899 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.2948 | 5.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiCl2 | COD | 9009121 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.003 | 0.554 | (0;000) | ✗ | 27/01/17 |
ZnCl2 | ICSD | 26152 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 3.8088 | 3.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnCl2 | COD | 9009136 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.1235 | 3.189 | 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 |
CrCl3 | ICSD | 22081 | R-3 (148) | ✔ | 8 | 70 | 2 | 0.0 | 0.029 | 0.399 | (0;000) | ✗ | 27/01/17 |
CsHgCl3 | COD | 1010121 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.397 | 0.385 | (0;000) | ✗ | 27/01/17 |
CsPbCl3 | COD | 1530111 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.6886 | 0.689 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsSnCl3 | ICSD | 28082 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.2771 | 0.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
IrCl3 | ICSD | 23171 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.6895 | 1.690 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoCl3 | COD | 5910110 | C2/m (12) | ✔ | 8 | 70 | 2 | 0.0 | 0.038 | 0.023 | (0;000) | ✗ | 27/01/17 |
NaCl3 | ICSD | 190539 | Pm-3n (223) | ✔ | 8 | 60 | 3 | 0.0 | 0.000 | 0.607 | (1;111) | ✗ | 27/01/17 |
RhCl3 | ICSD | 25764 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.5711 | 1.663 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuCl3 | ICSD | 22090 | P6_3/mcm (193) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.819 | (0;000) | ✗ | 27/01/17 |
Li2CrCl4 | ICSD | 403035 | C2/m (12) | ✔ | 7 | 48 | 1 | 0.0 | 0.036 | 0.374 | (0;000) | ✗ | 27/01/17 |
K2MgCl4 | ICSD | 4035 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 4.9192 | 5.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
OsCl4 | COD | 4343760 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 27/01/17 |
K2PdCl6 | COD | 9011293 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 1.8218 | 1.946 | 0.000 | (0;000) | ✗ | 27/01/17 |
WCl6 | ICSD | 26081 | R-3 (148) | ✔ | 7 | 56 | 1 | 1.782 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsClO2 | ICSD | 162803 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3848 | 2.676 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCl | COD | 9008620 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.9154 | 4.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCl | COD | 9008789 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.122 | 5.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2H3ClO3 | ICSD | 153707 | P2_1/m (11) | ✔ | 18 | 100 | 3 | 0.0 | 0.041 | 0.131 | (0;001) | ✗ | 27/01/17 |
Cu2H3ClO3 | COD | 9007603 | R-3m (166) | ✔ | 18 | 100 | 3 | 0.0 | 0.000 | 0.621 | (1;000) | ✗ | 27/01/17 |
Cu2H3ClO3 | COD | 9009464 | P2_1/m (11) | ✔ | 18 | 100 | 2 | 0.0 | 0.024 | 0.386 | (0;001) | ✗ | 27/01/17 |
InCu6ClO8 | ICSD | 69612 | Fm-3m (225) | ✔ | 16 | 134 | 3 | 0.0 | 0.007 | 0.411 | (0;000) | ✗ | 27/01/17 |
YCu6ClO8 | ICSD | 188351 | Fm-3m (225) | ✔ | 16 | 132 | 3 | 0.0 | 0.004 | 0.872 | (0;000) | ✗ | 27/01/17 |
CuCl | COD | 9013928 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5958 | 1.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
ClF | ICSD | 406442 | P2_1/c (14) | ✔ | 8 | 56 | 1 | 2.4667 | 2.494 | 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 |
PbClF | COD | 1011058 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 1.7485 | 1.842 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrClF | COD | 9013892 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.8674 | 5.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgH2NCl | ICSD | 92480 | Pmma (51) | ✔ | 10 | 52 | 2 | 2.5214 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfNCl | ICSD | 261539 | R-3m (166) | ✔ | 6 | 48 | 2 | 2.0932 | 2.412 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgCl | COD | 9016588 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.4848 | 2.394 | 0.000 | (0;000) | ✗ | 27/01/17 |
HCl | COD | 9015375 | Fm-3m (225) | ✔ | 2 | 8 | 1 | 0.0 | 0.000 | 0.102 | (1;000) | ✗ | 27/01/17 |
HPbClO | COD | 9009482 | C2/m (12) | ✔ | 8 | 56 | 1 | 2.6542 | 2.661 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScHCl | ICSD | 40981 | R-3m (166) | ✔ | 6 | 38 | 2 | 0.0 | 0.011 | 0.232 | (0;111) | ✗ | 27/01/17 |
SrHCl | COD | 9009183 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.0353 | 4.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CO3 | COD | 2310703 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.282 | 5.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
InCl | ICSD | 2430 | Cmcm (63) | ✔ | 4 | 40 | 1 | 1.443 | 1.529 | 0.000 | (0;000) | ✗ | 27/01/17 |
InClO | ICSD | 24058 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.552 | 2.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCO2 | ICSD | 173993 | P2_1/c (14) | ✔ | 16 | 76 | 1 | 3.6516 | 3.677 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiC | COD | 1521871 | Immm (71) | ✔ | 4 | 14 | 1 | 3.5408 | 3.819 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO2 | COD | 2014618 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.279 | 3.000 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO2 | COD | 9014207 | P2_1/m (11) | ✔ | 16 | 112 | 2 | 0.0 | 0.004 | 0.426 | (0;010) | ✗ | 27/01/17 |
KClO3 | ICSD | 26409 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 5.6268 | 5.635 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO3 | COD | 1010217 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 1.326 | 1.347 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCl | COD | 1000050 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.5772 | 5.766 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCl | COD | 9003138 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.12 | 5.120 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li4NCl | ICSD | 84649 | R-3m (166) | ✔ | 6 | 24 | 1 | 1.8222 | 1.875 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTiNCl | ICSD | 261526 | Pmmn (59) | ✔ | 8 | 54 | 2 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 27/01/17 |
LiCl | COD | 1011314 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 6.2774 | 6.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3ClO | COD | 9007768 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 2.1182 | 2.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaClO2 | ICSD | 22 | C2/c (15) | ✔ | 8 | 56 | 1 | 2.5433 | 2.543 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCl | COD | 2104025 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 4.381 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCl | COD | 9006385 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.7748 | 4.775 | 0.000 | (0;000) | ✗ | 27/01/17 |
NCl | COD | 9007494 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.011 | 0.693 | (0;000) | ✗ | 27/01/17 |
Sr2NCl | COD | 1528370 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8349 | 1.835 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiNCl | ICSD | 261525 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.6554 | 0.655 | 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 |
SbPbClO2 | COD | 9010005 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.0 | 1.773 | 1.000 | (0;000) | ✗ | 27/01/17 |
RbClO2 | ICSD | 162802 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3666 | 2.928 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cl2 | COD | 1512500 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.3148 | 2.315 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cl2 | COD | 9013120 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.5394 | 2.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiClO | ICSD | 155833 | Pmmn (59) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.885 | (0;001) | ✗ | 27/01/17 |
VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
YClO | COD | 9009190 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 4.19 | 4.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCl | COD | 1011313 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.7453 | 5.753 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCl | COD | 8103714 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.0035 | 5.004 | 0.000 | (0;000) | ✗ | 27/01/17 |
TeRhCl | ICSD | 56853 | C2/m (12) | ✔ | 6 | 60 | 2 | 0.7288 | 0.732 | 0.000 | (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 |
TlCl | ICSD | 109143 | Cmcm (63) | ✔ | 4 | 40 | 1 | 2.1142 | 2.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlCl | ICSD | 61518 | Fm-3m (225) | ✔ | 2 | 20 | 1 | 1.994 | 1.994 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlCl | COD | 9008794 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.6046 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |