≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
(ν0,ν1ν2ν3)
Source ID

13628 materials founds

▹ Formula ▹ Source ▹ ID ▹ space group ▹ centered ▹ nat ▹ ne ▹ dim ▹ gap ▹ dir. gap ▹ met. ▴ ν wcc ▹ updated
KCO3 COD 9010971 P2_1/c (14) ✔ 20 124 1 0.5021 0.560 0.000 (0;000) ✗ 02/02/17
KC COD 1521141 I4_1/acd (142) ✔ 16 104 1 3.3837 3.412 0.000 (0;000) ✗ 02/02/17
K4Re2Cl10O ICSD 108904 I4/mmm (139) ✔ 17 142 1 0.0 0.168 0.479 (0;000) ✗ 02/02/17
K4Ru2Cl10O ICSD 8054 I4/mmm (139) ✔ 17 144 1 0.4691 0.477 0.000 (0;000) ✗ 02/02/17
Nb2Te4Cl10O ICSD 49920 P-1 (2) ✔ 17 126 2 1.1278 1.256 0.000 (0;000) ✗ 02/02/17
CsHg5Cl11 ICSD 39767 C2/m (12) ✔ 17 146 3 2.8247 2.946 0.000 (0;000) ✗ 02/02/17
TlHg5Cl11 COD 7221334 C2/m (12) ✔ 17 150 3 2.8327 3.194 0.000 (0;000) ✗ 02/02/17
Sc7CoCl12 ICSD 424476 R-3 (148) ✔ 20 178 3 0.1088 0.149 0.000 (0;000) ✗ 02/02/17
VCu3S4 ICSD 628957 P-43m (215) ✗ 8 70 3 1.0285 1.386 0.000 (0;000) ✗ 06/10/16
Os(SCl6)2 ICSD 74680 R-3m (166) ✔ 15 112 1 0.386 0.445 0.000 (0;000) ✗ 02/02/17
BaPbO3 ICSD 51659 Pm-3m (221) ✔ 5 42 3 0.0 0.000 0.691 (0;000) ✗ 05/01/17
BaPbO3 COD 1528128 Imma (74) ✔ 10 84 3 0.1566 0.157 0.000 (0;000) ✗ 05/01/17
CsCu2ICl2 ICSD 60960 P2_1/m (11) ✔ 12 104 1 1.9838 1.984 0.000 (0;000) ✗ 02/02/17
CsK(ClO4)2 ICSD 22504 R-3m (166) ✔ 12 80 1 6.1528 6.157 0.000 (0;000) ✗ 02/02/17
CsLiCl2 ICSD 423634 C2/c (15) ✔ 16 104 1 5.3881 5.388 0.000 (0;000) ✗ 02/02/17
CuH4(ClO)2 COD 1008760 Pmna (53) ✔ 18 82 1 0.0 0.000 0.821 (0;000) ✗ 02/02/17
Cu(ClO)2 COD 9014996 Pmna (53) ✔ 10 74 2 0.0 0.000 0.938 (0;000) ✗ 02/02/17
PCl2OF ICSD 416167 P2_1/c (14) ✔ 20 128 1 5.5247 5.615 0.000 (0;000) ✗ 02/02/17
GaHCl2 COD 4318449 C2/c (15) ✔ 16 112 1 5.062 5.206 0.000 (0;000) ✗ 02/02/17
Hg2PCl2 ICSD 50594 C2/m (12) ✔ 10 86 3 1.5841 2.163 0.000 (0;000) ✗ 02/02/17
Hg3(ClO)2 ICSD 28399 P2_1/c (14) ✔ 14 124 3 0.0 0.082 0.044 (0;000) ✗ 02/02/17
HgCl2 COD 1010620 Pnma (62) ✔ 12 104 2 3.4224 3.429 0.000 (0;000) ✗ 02/02/17
Ta(ICl)2 ICSD 69688 Immm (71) ✔ 10 82 1 0.9886 0.996 0.000 (0;000) ✗ 02/02/17
K2PdN2(ClO2)2 ICSD 39851 C2/m (12) ✔ 11 84 1 0.0 0.069 0.131 (0;000) ✗ 02/02/17
RbLiCl2 ICSD 36216 Cmcm (63) ✔ 8 52 1 5.2413 5.241 0.000 (0;000) ✗ 02/02/17
Mg(ClO3)2 COD 9014683 C2/m (12) ✔ 9 60 1 0.0 0.007 0.584 (0;000) ✗ 02/02/17
SrC2 ICSD 91051 C2/c (15) ✔ 6 36 1 2.457 2.716 0.000 (0;000) ✗ 06/10/16
ZnO ICSD 290968 P2_1 (4) ✗ 4 36 0 0.7688 0.769 0.000 (0;000) ✗ 06/10/16
VS2N3Cl2 ICSD 30742 P-1 (2) ✔ 16 108 1 0.6592 0.684 0.000 (0;000) ✗ 02/02/17
VS2N3Cl2 ICSD 61351 P-1 (2) ✔ 16 108 1 0.731 0.758 0.000 (0;000) ✗ 02/02/17
TaCu3Se4 ICSD 108406 P-43m (215) ✗ 8 70 3 1.561 1.992 0.000 (0;000) ✗ 06/10/16
Ru(N3Cl)2 COD 9014997 Fm-3m (225) ✔ 9 60 1 0.0 0.001 0.452 (0;000) ✗ 02/02/17
Nb(SCl)2 COD 1522781 C2/m (12) ✔ 10 78 2 1.4336 1.434 0.000 (0;000) ✗ 02/02/17
Nb(SeCl)2 COD 1522780 P-1 (2) ✔ 10 78 2 0.9448 1.031 0.000 (0;000) ✗ 02/02/17
Pb(ClO)2 COD 9007817 Ccce (68) ✔ 20 160 3 0.0 0.039 0.192 (0;000) ✗ 02/02/17
BaSeO3 ICSD 54156 P2_1/m (11) ✔ 10 68 1 3.9448 3.945 0.000 (0;000) ✗ 05/01/17
Pb(ClO2)2 ICSD 68484 Ccce (68) ✔ 14 104 2 0.953 1.704 0.000 (0;000) ✗ 02/02/17
Sr(ClO2)2 COD 2207380 Ccce (68) ✔ 14 96 1 2.3827 2.464 0.000 (0;000) ✗ 02/02/17
Cl2O7 ICSD 63680 C2/c (15) ✔ 18 112 1 4.2757 4.354 0.000 (0;000) ✗ 02/02/17
Cl2O ICSD 407768 I4_1/amd (141) ✔ 12 80 1 1.1441 1.193 0.000 (0;000) ✗ 02/02/17
SCl2O ICSD 62971 P2_1/c (14) ✔ 16 104 1 3.7451 3.758 0.000 (0;000) ✗ 02/02/17
SiCl2O COD 7028093 P-1 (2) ✔ 16 96 1 5.8349 5.921 0.000 (0;000) ✗ 02/02/17
PbCl2 COD 9009195 Pnma (62) ✔ 12 112 3 3.2349 3.329 0.000 (0;000) ✗ 02/02/17
PdCl2 ICSD 404624 R-3 (148) ✔ 18 192 2 1.2092 1.289 0.000 (0;000) ✗ 02/02/17
Pd(Se3Cl)2 ICSD 405207 P2_1/c (14) ✔ 18 136 1 1.0887 1.107 0.000 (0;000) ✗ 02/02/17
PtCl2 ICSD 28527 R-3m (166) ✔ 18 144 2 0.6796 0.680 0.000 (0;000) ✗ 02/02/17
TlRe3(Se2Cl)2 ICSD 162300 P-1 (2) ✔ 20 192 2 1.4376 1.556 0.000 (0;000) ✗ 02/02/17
SnCl2 COD 2310517 Pnma (62) ✔ 12 112 1 2.9786 3.228 0.000 (0;000) ✗ 02/02/17
Te3Cl2 COD 1522083 P2_1/c (14) ✔ 20 128 3 1.2807 1.345 0.000 (0;000) ✗ 02/02/17
ZrCl2 ICSD 41539 R-3 (148) ✔ 18 108 3 0.0195 0.033 0.000 (0;000) ✗ 02/02/17
CsCoCl3 ICSD 27511 P6_3/mmc (194) ✔ 10 94 1 0.0 0.000 0.591 (0;000) ✗ 02/02/17
RbCoCl3 ICSD 24305 P6_3/mmc (194) ✔ 10 94 1 0.0 0.000 0.491 (0;000) ✗ 02/02/17
TlCoCl3 ICSD 155189 P6_3/mmc (194) ✔ 10 102 1 0.0 0.000 0.592 (0;000) ✗ 02/02/17
Cr(ClO2)3 COD 9016332 R-3c (167) ✔ 20 142 3 0.0 0.021 1.000 (0;000) ✗ 02/02/17
RbCrCl3 ICSD 2225 C2/m (12) ✔ 10 88 1 0.0 0.008 0.538 (0;000) ✗ 02/02/17
RbCrCl3 ICSD 56837 C2/c (15) ✔ 20 176 1 0.0 0.002 0.533 (0;000) ✗ 02/02/17
CsCu2Cl3 COD 2310349 Cmcm (63) ✔ 12 104 1 1.8641 1.864 0.000 (0;000) ✗ 02/02/17
CsFeCl3 ICSD 300249 P6_3/mmc (194) ✔ 10 76 1 0.0943 0.094 0.000 (0;000) ✗ 02/02/17
CsMgCl3 ICSD 54167 P6_3/mmc (194) ✔ 10 80 1 5.3995 5.400 0.000 (0;000) ✗ 02/02/17
CsNiCl3 COD 2007344 P6_3/mmc (194) ✔ 10 80 1 0.0 0.002 0.203 (0;000) ✗ 02/02/17
CsScCl3 COD 4343633 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.596 (0;000) ✗ 02/02/17
CsSnCl3 COD 1527954 P2_1/c (14) ✔ 20 176 1 2.8109 2.811 0.000 (0;000) ✗ 02/02/17
CsTiCl3 ICSD 49748 P6_3/mmc (194) ✔ 10 84 1 0.0 0.001 0.511 (0;000) ✗ 02/02/17
CsVCl3 COD 1527869 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.717 (0;000) ✗ 02/02/17
KCuCl3 ICSD 109325 P2_1/c (14) ✔ 20 164 3 0.0337 0.048 0.000 (0;000) ✗ 02/02/17
KCuCl3 COD 1528208 P2_1/c (14) ✔ 20 164 1 0.0 0.004 0.065 (0;000) ✗ 02/02/17
RbCuCl3 ICSD 84212 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.655 (0;000) ✗ 02/02/17
BaSiO3 COD 9010192 R-3m (166) ✔ 15 96 3 3.4421 3.543 0.000 (0;000) ✗ 05/01/17
KFeCl3 COD 1524477 Pnma (62) ✔ 20 152 1 0.3958 0.444 0.000 (0;000) ✗ 02/02/17
RbGeCl3 COD 7221358 P2_1/m (11) ✔ 10 68 1 3.6922 3.704 0.000 (0;000) ✗ 02/02/17
NaHgCl3 ICSD 38302 Pnma (62) ✔ 20 168 1 0.4532 0.453 0.000 (0;000) ✗ 02/02/17
VINCl3 ICSD 10470 P-1 (2) ✔ 12 92 3 0.0 0.063 0.144 (0;000) ✗ 02/02/17
ICl3 COD 4336764 P-1 (2) ✔ 8 56 1 1.572 1.573 0.000 (0;000) ✗ 02/02/17
IrCl3 ICSD 25716 Fddd (70) ✔ 16 152 3 1.6687 1.699 0.000 (0;000) ✗ 02/02/17
Te6IrCl3 ICSD 423672 R-3c (167) ✔ 20 148 3 0.6694 0.873 0.000 (0;000) ✗ 02/02/17
KMgCl3 ICSD 27930 Pnma (62) ✔ 20 160 3 4.6633 4.663 0.000 (0;000) ✗ 02/02/17
TaCu3Se4 ICSD 156981 P-43m (215) ✗ 8 70 3 1.5486 1.963 0.000 (0;000) ✗ 06/10/16
BaSnO3 ICSD 188149 Pm-3m (221) ✔ 5 42 3 0.9479 1.373 0.000 (0;000) ✗ 05/01/17
Li5Cl3O ICSD 419852 I4/mcm (140) ✔ 18 84 1 3.9676 4.045 0.000 (0;000) ✗ 02/02/17
RbMgCl3 ICSD 4036 P6_3/mmc (194) ✔ 20 160 3 4.9623 4.962 0.000 (0;000) ✗ 02/02/17
BaTeO3 COD 1524714 P2_1/m (11) ✔ 10 68 1 2.8465 2.873 0.000 (0;000) ✗ 05/01/17
TaCu3Se4 ICSD 427174 P-43m (215) ✗ 8 70 3 1.5807 2.033 0.000 (0;000) ✗ 06/10/16
MoCl3 ICSD 26109 C2/c (15) ✔ 16 140 2 0.0 0.047 0.055 (0;000) ✗ 02/02/17
MoNCl3 COD 1528097 P-1 (2) ✔ 20 160 2 1.7625 1.819 0.000 (0;000) ✗ 02/02/17
BaTiO3 COD 5910149 Pm-3m (221) ✔ 5 40 3 1.8554 1.915 0.000 (0;000) ✗ 05/01/17
TaCu3Se4 ICSD 629100 P-43m (215) ✗ 8 70 3 1.5469 1.960 0.000 (0;000) ✗ 06/10/16
Sb ICSD 42678 P2_1/m (11) ✔ 4 20 2 0.0 0.099 0.336 (0;000) ✗ 27/01/17
BaZrO3 ICSD 190881 I4/mcm (140) ✔ 10 64 3 2.6946 2.695 0.000 (0;000) ✗ 05/01/17
Ti(NCl)3 COD 1528192 P-1 (2) ✔ 14 96 1 2.4342 2.479 0.000 (0;000) ✗ 02/02/17
NbCl3O ICSD 26471 P4_2/mnm (136) ✔ 20 160 2 2.3999 2.636 0.000 (0;000) ✗ 02/02/17
NbSeCl3 COD 2209086 P2/c (13) ✔ 20 160 1 0.7005 0.816 0.000 (0;000) ✗ 02/02/17
RbNiCl3 COD 1527092 P6_3/mmc (194) ✔ 10 80 1 0.0 0.003 0.206 (0;000) ✗ 02/02/17
Y2NCl3 ICSD 65829 C2/m (12) ✔ 12 96 3 1.9476 2.458 0.000 (0;000) ✗ 02/02/17
BaZrO3 COD 1532743 Pm-3m (221) ✔ 5 32 3 2.7993 2.799 0.000 (0;000) ✗ 05/01/17
VCl3O ICSD 36214 Pnma (62) ✔ 20 160 1 2.6811 2.682 0.000 (0;000) ✗ 02/02/17
PCl3 ICSD 27798 Pnma (62) ✔ 16 104 1 3.8453 3.871 0.000 (0;000) ✗ 02/02/17
RbTiCl3 ICSD 49747 P6_3/mmc (194) ✔ 10 84 1 0.0 0.016 0.517 (0;000) ✗ 02/02/17
RbVCl3 COD 1530068 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.711 (0;000) ✗ 02/02/17
SbCl3 ICSD 8258 Pnma (62) ✔ 16 104 1 3.5764 3.619 0.000 (0;000) ✗ 02/02/17
ScCl3 ICSD 74517 R-3 (148) ✔ 8 64 2 3.482 3.639 0.000 (0;000) ✗ 02/02/17