≤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
Ca4TiN4 COD 1528590 P-1 (2) ✔ 18 144 1 1.5561 1.680 0.000 (0;000) ✗ 02/02/17
Ca(ClO2)2 COD 2207379 Ccce (68) ✔ 14 96 1 2.1995 2.281 0.000 (0;000) ✗ 02/02/17
Ca5Sb3 COD 4002403 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.542 (1;000) ✗ 02/02/17
Ca(ClO)2 COD 9008001 Ccce (68) ✔ 20 144 1 0.0 0.021 0.172 (1;000) ✗ 02/02/17
Sr(Cd2Pt)2 COD 4334059 P4_2/mnm (136) ✔ 14 156 3 0.0 0.021 0.964 (1;000) ✗ 02/02/17
CaTcO3 COD 4105648 Pnma (62) ✔ 20 172 0 0.0 0.000 0.313 (0;110) ✗ 02/02/17
Li2Ca COD 1527864 P6_3/mmc (194) ✔ 12 64 1 0.0 0.001 0.548 (1;000) ✗ 02/02/17
CaGeO3 COD 9000904 Pnma (62) ✔ 20 128 3 2.1712 2.229 0.000 (0;000) ✗ 02/02/17
CaFe(SiO3)2 COD 9001813 C2/c (15) ✔ 20 124 3 0.742 0.746 0.000 (0;000) ✗ 02/02/17
CaZn(GeO3)2 COD 2014615 C2/c (15) ✔ 20 132 3 2.8081 2.912 0.000 (0;000) ✗ 02/02/17
CaInPt COD 1527282 Pnma (62) ✔ 12 132 3 0.0 0.000 0.828 (0;011) ✗ 02/02/17
AgCSN COD 8100412 C2/c (15) ✔ 16 104 3 2.0827 2.362 0.000 (0;000) ✗ 02/02/17
CaIn4Ni COD 1528112 Cmcm (63) ✔ 12 144 3 0.0 0.004 0.793 (1;110) ✗ 02/02/17
CaSnO3 COD 9015651 Pnma (62) ✔ 20 168 3 2.7125 2.829 0.000 (0;000) ✗ 02/02/17
CaMg(SiO3)2 COD 9000506 C2/c (15) ✔ 20 128 3 3.7875 3.788 0.000 (0;000) ✗ 02/02/17
CaMg2 COD 4313238 P6_3/mmc (194) ✔ 12 120 1 0.0 0.001 0.548 (1;000) ✗ 02/02/17
CaMg(SiO3)2 COD 9000335 C2/c (15) ✔ 20 128 3 5.073 5.073 0.000 (0;000) ✗ 02/02/17
CaSi2NiO6 COD 9001303 C2/c (15) ✔ 20 128 3 0.0 0.007 0.582 (1;000) ✗ 02/02/17
CaMgSi COD 4000954 Pnma (62) ✔ 12 96 3 0.0 0.012 0.072 (0;000) ✗ 02/02/17
CaMoO3 COD 1528660 Pnma (62) ✔ 20 168 3 0.0 0.016 0.488 (0;000) ✗ 02/02/17
Sr5Cd3 COD 1527309 I4/mcm (140) ✔ 16 172 1 0.0 0.006 0.538 (0;111) ✗ 02/02/17
BaCO3 COD 1011149 Pnma (62) ✔ 20 128 2 4.4216 4.463 0.000 (0;000) ✗ 02/02/17
Sr2CaWO6 COD 2104688 P2_1/c (14) ✔ 20 160 1 3.3236 3.434 0.000 (0;000) ✗ 02/02/17
CaVO3 COD 4336390 Pnma (62) ✔ 20 164 3 0.0 0.001 0.649 (0;110) ✗ 02/02/17
CaSO6 COD 9015350 C2/c (15) ✔ 16 104 1 0.0 0.006 0.453 (0;000) ✗ 02/02/17
BaZnCO3F2 COD 1100122 P6_3/m (176) ✔ 16 116 2 5.0322 5.038 0.000 (0;000) ✗ 02/02/17
SrCaSi COD 1528697 Pnma (62) ✔ 12 96 1 0.4161 0.434 0.000 (0;000) ✗ 02/02/17
BaMnCO3F2 COD 1100121 P6_3/m (176) ✔ 16 122 2 0.0 0.000 0.877 (0;000) ✗ 02/02/17
Cd3P2 COD 1010127 Pn-3m (224) ✔ 10 92 3 0.0 0.005 0.246 (1;000) ✗ 02/02/17
CaCO3 COD 9016600 Pnma (62) ✔ 20 128 1 3.8664 3.866 0.000 (0;000) ✗ 02/02/17
CBrF2 COD 7200672 P2_1/c (14) ✔ 16 100 1 4.3722 4.447 0.000 (0;000) ✗ 02/02/17
CaCO3 COD 9016547 Pnma (62) ✔ 20 128 1 4.3434 4.687 0.000 (0;000) ✗ 02/02/17
Cd3PCl3 COD 1001626 P-3 (147) ✔ 14 124 3 2.0234 2.170 0.000 (0;000) ✗ 02/02/17
CSCl2O COD 7050458 P2_1/c (14) ✔ 20 120 1 3.0161 3.088 0.000 (0;000) ✗ 02/02/17
Zr3Cd2 COD 2106134 Pmmm (47) ✔ 5 36 2 0.0 0.003 0.647 (1;001) ✗ 02/02/17
Cs2SnI6 COD 4335642 Fm-3m (225) ✔ 9 74 2 0.0894 0.089 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
PbCl2 COD 9009195 Pnma (62) ✔ 12 112 3 3.2349 3.329 0.000 (0;000) ✗ 02/02/17
HCCl3 COD 7211802 Pnma (62) ✔ 20 104 1 4.814 4.817 0.000 (0;000) ✗ 02/02/17
VCdO3 COD 1528346 Pnma (62) ✔ 20 172 3 0.0 0.000 0.658 (0;110) ✗ 02/02/17
KCdF3 COD 1530090 Pnma (62) ✔ 20 168 3 3.3039 3.304 0.000 (0;000) ✗ 02/02/17
Cr2CdSe4 COD 9012053 Fd-3m (227) ✔ 14 128 3 0.0 0.007 0.094 (0;000) ✗ 02/02/17
CsYCdSe3 COD 4313788 Cmcm (63) ✔ 12 100 1 2.1463 2.153 0.000 (0;000) ✗ 02/02/17
CdSeO3 COD 2009816 Pnma (62) ✔ 20 144 3 3.3067 3.472 0.000 (0;000) ✗ 02/02/17
CdGeO3 COD 9005881 Pnma (62) ✔ 20 136 3 1.2811 1.281 0.000 (0;000) ✗ 02/02/17
Na2CdSn COD 7221227 P6_3/mmc (194) ✔ 8 88 1 0.0 0.037 0.109 (0;000) ✗ 02/02/17
HCCl2 COD 7106717 P2_1/c (14) ✔ 16 76 1 5.0857 5.162 0.000 (0;000) ✗ 02/02/17
SrCdPt COD 2240266 Pnma (62) ✔ 12 128 3 0.0 0.047 0.554 (1;000) ✗ 02/02/17
CdSe2O5 COD 2010004 C2/c (15) ✔ 16 108 3 3.2062 3.475 0.000 (0;000) ✗ 02/02/17
Cd COD 4030924 P-1 (2) ✔ 1 12 1 4.3147 4.315 0.000 (0;000) ✗ 02/02/17
AgH4CN4 COD 2203531 P-1 (2) ✔ 20 78 3 2.7572 3.110 0.000 (0;000) ✗ 02/02/17
CIF2 COD 7200677 P2_1/c (14) ✔ 16 100 1 3.1528 3.212 0.000 (0;000) ✗ 02/02/17
H2CCl2 COD 2100015 Pbcn (60) ✔ 20 80 1 5.0549 5.126 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
HgCl2 COD 1010620 Pnma (62) ✔ 12 104 2 3.4224 3.429 0.000 (0;000) ✗ 02/02/17
KCO3 COD 9010971 P2_1/c (14) ✔ 20 124 1 0.5021 0.560 0.000 (0;000) ✗ 02/02/17
HC COD 2100841 Pa3 (205) ✔ 16 40 1 5.684 5.704 0.000 (0;000) ✗ 02/02/17
KCO3 COD 9010292 P2_1/c (14) ✔ 20 124 1 0.4508 0.493 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
TlHg5Cl11 COD 7221334 C2/m (12) ✔ 17 150 3 2.8327 3.194 0.000 (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
Sr(ClO2)2 COD 2207380 Ccce (68) ✔ 14 96 1 2.3827 2.464 0.000 (0;000) ✗ 02/02/17
Ru(N3Cl)2 COD 9014997 Fm-3m (225) ✔ 9 60 1 0.0 0.001 0.452 (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
Ni(N3Cl)2 COD 9014070 Fm-3m (225) ✔ 9 54 1 0.0 0.001 0.367 (1;000) ✗ 02/02/17
Sr(ClO)2 COD 9008002 Ccce (68) ✔ 20 144 1 0.0 0.010 0.435 (0;110) ✗ 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
Pb(ClO)2 COD 9007817 Ccce (68) ✔ 20 160 3 0.0 0.039 0.192 (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
Cs2PdCl4 COD 1532214 Cmcm (63) ✔ 14 128 1 1.6548 1.655 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
CsNiCl3 COD 2007344 P6_3/mmc (194) ✔ 10 80 1 0.0 0.002 0.203 (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
CsCu2Cl3 COD 2310349 Cmcm (63) ✔ 12 104 1 1.8641 1.864 0.000 (0;000) ✗ 02/02/17
KFeCl3 COD 1524477 Pnma (62) ✔ 20 152 1 0.3958 0.444 0.000 (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
RbCuCl3 COD 1527258 Pbcn (60) ✔ 20 164 1 0.0 0.000 0.386 (0;011) ✗ 02/02/17
Rb2CrCl4 COD 1533153 I4/mmm (139) ✔ 7 60 1 0.0 0.008 0.180 (1;111) ✗ 02/02/17
Ti(NCl)3 COD 1528192 P-1 (2) ✔ 14 96 1 2.4342 2.479 0.000 (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
MoSCl3 COD 4002054 C2/c (15) ✔ 20 164 1 0.0 0.001 0.450 (1;110) ✗ 02/02/17
Li2CrCl4 COD 1530131 C2/c (15) ✔ 14 96 3 0.0 0.006 0.560 (0;000) ✗ 02/02/17
Y(ClO2)3 COD 9007776 P2/c (13) ✔ 20 136 1 0.0 0.001 0.398 (1;110) ✗ 02/02/17
YCl3 COD 1528118 C2/m (12) ✔ 8 64 2 4.6408 4.771 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
MoCl4O COD 4031499 P-1 (2) ✔ 12 96 2 1.29 1.363 0.000 (0;000) ✗ 02/02/17
K2Os(Cl2O)2 COD 1010629 I4/mmm (139) ✔ 9 74 1 0.7524 0.803 0.000 (0;000) ✗ 02/02/17
CuN2(Cl2O)2 COD 9008016 P4_2/mnm (136) ✔ 18 122 1 0.0 0.000 0.859 (0;110) ✗ 02/02/17
GeCl4 COD 2012797 P2_1/c (14) ✔ 20 128 1 4.342 4.405 0.000 (0;000) ✗ 02/02/17
Na2MnCl4 COD 2106200 Pbam (55) ✔ 14 122 1 0.0 0.000 0.664 (0;000) ✗ 02/02/17
K2PdCl4 COD 1010315 P4/mmm (123) ✔ 7 64 1 1.5312 1.531 0.000 (0;000) ✗ 02/02/17
KTlCl4 COD 1527421 I4_1/a (88) ✔ 12 100 1 2.6111 2.611 0.000 (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
NbCl4 COD 4343693 C2/m (12) ✔ 10 82 1 0.8567 0.889 0.000 (0;000) ✗ 02/02/17
Ti(NCl)4 COD 9015114 I4/mmm (139) ✔ 9 60 1 0.0 0.001 0.840 (1;000) ✗ 02/02/17
AlN COD 1523095 Fm-3m (225) ✔ 2 8 3 5.1878 6.629 0.000 (0;000) ✗ 05/01/17
Cs3NiCl5 COD 2007345 I4/mcm (140) ✔ 18 144 1 0.0 0.018 0.280 (0;000) ✗ 02/02/17
Tl2PdCl4 COD 1521908 P4/mmm (123) ✔ 7 72 1 1.0199 1.472 0.000 (0;000) ✗ 02/02/17
Tl3CoCl5 COD 1523977 I4/mcm (140) ✔ 18 182 1 0.0 0.000 0.321 (0;111) ✗ 02/02/17
Cs2PtI6 COD 1530777 Fm-3m (225) ✔ 9 70 1 0.4118 0.595 0.000 (0;000) ✗ 02/02/17