≤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
NClO6 ICSD 25817 C2/c (15) ✔ 16 96 1 2.1258 2.155 0.000 (0;000) ✗ 02/02/17
NbBr5 ICSD 409917 P-1 (2) ✔ 12 96 1 0.1833 0.196 0.000 (0;000) ✗ 06/10/16
Na2SO4 ICSD 27955 P-3m1 (164) ✔ 14 96 1 0.0 0.000 0.521 (1;000) ✗ 27/01/17
MgNiGe COD 4335168 Pnma (62) ✔ 12 96 3 0.0 0.032 0.572 (1;000) ✗ 27/01/17
ZnO2 ICSD 60763 Pa3 (205) ✔ 12 96 3 2.3571 2.488 0.000 (0;000) ✗ 27/01/17
Na2SeO4 COD 2106359 Fddd (70) ✔ 14 96 1 3.7333 3.772 0.000 (0;000) ✗ 27/01/17
Hf3(SiCu)4 ICSD 87201 Immm (71) ✔ 11 96 3 0.0 0.017 0.509 (0;111) ✗ 27/01/17
Y3AlC3 COD 4341867 Pmma (51) ✔ 14 96 3 0.0 0.007 0.468 (0;101) ✗ 02/02/17
Na2Pd(SeO4)2 ICSD 249506 P-1 (2) ✔ 13 96 2 1.7145 1.715 0.000 (0;000) ✗ 27/01/17
Na2SO4 COD 1011184 Fddd (70) ✔ 14 96 1 5.2961 5.316 0.000 (0;000) ✗ 27/01/17
Na2SO4 COD 1010522 Cmcm (63) ✔ 14 96 1 5.0257 5.223 0.000 (0;000) ✗ 27/01/17
CsCuF4 ICSD 35264 I4/mcm (140) ✔ 12 96 3 1.5647 1.629 0.000 (0;000) ✗ 02/02/17
MgH2SeO5 ICSD 66745 C2/c (15) ✔ 18 96 3 4.2015 4.202 0.000 (0;000) ✗ 27/01/17
Li2CrCl4 COD 1530131 C2/c (15) ✔ 14 96 3 0.0 0.006 0.560 (0;000) ✗ 02/02/17
NiH2SO5 COD 9009372 C2/c (15) ✔ 18 96 3 0.0 0.012 0.578 (0;000) ✗ 27/01/17
CSCl2 ICSD 300291 P2_1/c (14) ✔ 16 96 1 2.8885 2.901 0.000 (0;000) ✗ 02/02/17
NaB(CN)4 COD 4308585 Fd-3m (227) ✔ 20 96 1 6.8589 6.878 0.000 (0;000) ✗ 02/02/17
MgWO4 ICSD 36310 P2/c (13) ✔ 12 96 3 0.0 0.001 1.000 (1;010) ✗ 27/01/17
Na5ReO6 ICSD 38382 C2/m (12) ✔ 12 96 1 2.3756 2.376 0.000 (0;000) ✗ 27/01/17
TeBr6 ICSD 38347 P4/mnc (128) ✔ 14 96 1 0.0 0.004 0.263 (0;000) ✗ 02/02/17
MgH2SO5 COD 1100087 C2/c (15) ✔ 18 96 3 5.8055 5.806 0.000 (0;000) ✗ 27/01/17
NiH2SeO5 ICSD 39886 C2/c (15) ✔ 18 96 3 0.0 0.008 0.725 (0;000) ✗ 27/01/17
CsCSN ICSD 60871 Pnma (62) ✔ 16 96 1 4.4093 4.410 0.000 (0;000) ✗ 02/02/17
CNCl ICSD 86484 C2/c (15) ✔ 18 96 1 3.7201 3.910 0.000 (0;000) ✗ 02/02/17
CsB(CN)4 COD 4308582 I4_1/a (88) ✔ 20 96 1 6.6641 6.715 0.000 (0;000) ✗ 02/02/17
KB(CN)4 ICSD 411180 I4_1/a (88) ✔ 20 96 1 6.4334 6.461 0.000 (0;000) ✗ 02/02/17
Mg2GeO4 COD 9010486 Fd-3m (227) ✔ 14 96 3 3.5003 3.500 0.000 (0;000) ✗ 27/01/17
VCl5 ICSD 425146 P-1 (2) ✔ 12 96 1 0.3098 0.388 0.000 (0;000) ✗ 02/02/17
LiFeSO4F ICSD 182944 P-1 (2) ✔ 16 96 3 0.3415 0.363 0.000 (0;000) ✗ 27/01/17
CaAlAu ICSD 370015 Pnma (62) ✔ 12 96 3 0.0 0.022 0.395 (1;000) ✗ 30/01/17
RbNaTiO3 ICSD 78753 C2/c (15) ✔ 12 96 1 3.7013 3.738 0.000 (0;000) ✗ 27/01/17
AlBr3 ICSD 83432 P2_1/c (14) ✔ 16 96 1 4.1378 4.138 0.000 (0;000) ✗ 30/01/17
AlPNCl5 ICSD 391165 P-1 (2) ✔ 16 96 1 4.4513 4.519 0.000 (0;000) ✗ 30/01/17
MgF2 COD 1526236 Pa3 (205) ✔ 12 96 3 7.909 7.909 0.000 (0;000) ✗ 27/01/17
NaAuF4 COD 1510141 I4/mcm (140) ✔ 12 96 1 1.6526 1.659 0.000 (0;000) ✗ 05/01/17
SrMgGe ICSD 42458 Pnma (62) ✔ 12 96 1 0.0 0.014 0.013 (0;000) ✗ 02/02/17
GaAu COD 9008926 Pnma (62) ✔ 8 96 3 0.0 0.094 0.370 (1;000) ✗ 05/01/17
AlI3 ICSD 391247 P2_1/c (14) ✔ 16 96 1 2.9254 2.928 0.000 (0;000) ✗ 30/01/17
NaReO4 ICSD 52337 I4_1/a (88) ✔ 12 96 1 3.8048 3.880 0.000 (0;000) ✗ 27/01/17
MgHOF ICSD 186501 Pnma (62) ✔ 16 96 3 4.8158 4.816 0.000 (0;000) ✗ 27/01/17
Ti3Hg COD 1523041 Pm-3n (223) ✔ 8 96 3 0.0 0.009 0.349 (1;000) ✗ 27/01/17
CaSiPt ICSD 72640 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.533 (0;000) ✔ 05/12/16
CaCl2 ICSD 86209 Pnma (62) ✔ 12 96 1 2.4831 2.483 0.000 (0;000) ✗ 02/02/17
B2Mo3 ICSD 614800 P4/mbm (127) ✔ 10 96 3 0.0 0.006 0.688 (0;001) ✗ 05/01/17
ZnNi3B2 COD 4325891 C2/m (12) ✔ 12 96 3 0.0 0.002 0.459 (0;111) ✗ 05/01/17
SrNiGe COD 4335169 Pnma (62) ✔ 12 96 2 0.0 0.144 0.250 (0;000) ✗ 02/02/17
Co2Sn COD 1525127 P6_3/mmc (194) ✔ 6 96 3 0.0 0.021 0.584 (0;000) ✗ 27/01/17
Fe3O4 COD 9002674 Fd-3m (227) ✔ 14 96 3 0.0 0.002 0.306 (0;000) ✗ 27/01/17
Na3H5(CO2)4 ICSD 109935 P-1 (2) ✔ 20 96 1 4.5508 4.603 0.000 (0;000) ✗ 02/02/17
Rb3AlO3 ICSD 74969 C2/m (12) ✔ 14 96 3 2.8352 2.835 0.000 (0;000) ✗ 30/01/17
Fe3O4 COD 9002332 Cmcm (63) ✔ 14 96 3 0.0 0.002 0.831 (1;000) ✗ 27/01/17
Pb2ClOF COD 9012904 Cmme (67) ✔ 10 96 2 2.3301 2.444 0.000 (0;000) ✗ 02/02/17
CaCl2 ICSD 56769 Pbcn (60) ✔ 12 96 1 5.5921 5.702 0.000 (0;000) ✗ 02/02/17
K3AlO3 ICSD 166540 C2/m (12) ✔ 14 96 1 2.8531 2.861 0.000 (0;000) ✗ 30/01/17
MoCl4O COD 4031499 P-1 (2) ✔ 12 96 2 1.29 1.363 0.000 (0;000) ✗ 02/02/17
K2TiO3 ICSD 162216 Cmcm (63) ✔ 12 96 1 3.5812 3.581 0.000 (0;000) ✗ 27/01/17
WO3 COD 1004057 P6/mmm (191) ✔ 12 96 3 0.5769 1.475 0.000 (0;000) ✗ 27/01/17
PdSO4 ICSD 79559 C2/c (15) ✔ 12 96 3 1.1467 1.229 0.000 (0;000) ✗ 27/01/17
BaI2 COD 1527184 Pnma (62) ✔ 12 96 1 2.9738 2.974 0.000 (0;000) ✗ 02/02/17
CaGePt COD 1527356 Pnma (62) ✔ 12 96 3 0.0 0.054 0.521 (1;000) ✗ 02/02/17
MgCrO4 COD 1008083 Cmcm (63) ✔ 12 96 3 2.3153 2.398 0.000 (0;000) ✗ 27/01/17
BaCa2Mg(SiO4)2 ICSD 422406 P-3 (147) ✔ 14 96 3 5.2458 5.351 0.000 (0;000) ✗ 05/01/17
ScOF COD 1525435 P2_1/c (14) ✔ 12 96 3 1.0872 1.093 0.000 (0;000) ✗ 27/01/17
YMgCu ICSD 163695 P-62m (189) ✗ 9 96 3 0.0 0.000 0.899 ? ✗ 06/10/16
ScOF ICSD 100564 P2_1/c (14) ✔ 12 96 3 4.571 4.696 0.000 (0;000) ✗ 27/01/17
Tl2GeS3 ICSD 2240 P-1 (2) ✔ 12 96 1 1.5977 1.697 0.000 (0;000) ✗ 02/02/17
Sr2GeS4 ICSD 23420 P2_1/m (11) ✔ 14 96 1 2.4357 2.493 0.000 (0;000) ✗ 02/02/17
Ca3Zn2(CuP2)2 ICSD 89515 P-3m1 (164) ✔ 11 96 2 0.0 0.092 0.010 (0;000) ✗ 02/02/17
BaF2 ICSD 41650 Pnma (62) ✔ 12 96 1 7.3138 7.314 0.000 (0;000) ✗ 05/01/17
Tl2GeSe3 ICSD 35043 P-1 (2) ✔ 12 96 2 1.0351 1.142 0.000 (0;000) ✗ 02/02/17
CsK2Sc(PO4)2 ICSD 61787 P-3m1 (164) ✔ 14 96 3 4.3143 4.408 0.000 (0;000) ✗ 02/02/17
YRh5 COD 1523668 P6/mmm (191) ✔ 6 96 3 0.0 0.005 0.709 (0;000) ✗ 27/01/17
NaCSN ICSD 22273 Pnma (62) ✔ 16 96 1 4.1244 4.235 0.000 (0;000) ✗ 02/02/17
YAlPt ICSD 609165 Pnma (62) ✔ 12 96 3 0.0 0.048 0.476 (1;000) ✗ 30/01/17
BaNa2Mg(PO4)2 ICSD 424073 P-3m1 (164) ✔ 14 96 2 5.1468 5.169 0.000 (0;000) ✗ 05/01/17
BaSr2Mg(SiO4)2 ICSD 247861 P-3m1 (164) ✔ 14 96 3 5.056 5.149 0.000 (0;000) ✗ 05/01/17
BaNiGe COD 4335167 Pnma (62) ✔ 12 96 2 0.0 0.009 0.223 (1;000) ✗ 02/02/17
Sr(HO)2 ICSD 15167 Pnma (62) ✔ 20 96 1 3.9041 4.028 0.000 (0;000) ✗ 02/02/17
SrCN2 ICSD 75040 Pnma (62) ✔ 16 96 1 3.7125 4.317 0.000 (0;000) ✗ 02/02/17
BaSiN2 COD 4311195 Cmce (64) ✔ 16 96 1 3.0265 3.093 0.000 (0;000) ✗ 02/02/17
Ba2Ge(TeSe)2 ICSD 414165 P2_1/m (11) ✔ 14 96 1 0.8686 0.869 0.000 (0;000) ✗ 02/02/17
YTaO4 COD 1530908 P2/c (13) ✔ 12 96 3 2.4657 2.660 0.000 (0;000) ✗ 27/01/17
BaSiO3 COD 9010192 R-3m (166) ✔ 15 96 3 3.4421 3.543 0.000 (0;000) ✗ 05/01/17
CdS2 ICSD 620305 Pa3 (205) ✔ 12 96 3 0.6904 0.690 0.000 (0;000) ✗ 02/02/17
BaMoO4 COD 2300459 I4_1/a (88) ✔ 12 96 1 4.5904 4.590 0.000 (0;000) ✗ 02/02/17
KNaTiO3 ICSD 47177 C2/c (15) ✔ 12 96 1 3.7164 3.740 0.000 (0;000) ✗ 27/01/17
ScVO4 COD 4501809 I4_1/amd (141) ✔ 12 96 3 2.6191 2.619 0.000 (0;000) ✗ 27/01/17
Ba2Ge ICSD 25351 Pnma (62) ✔ 12 96 1 0.0 0.008 0.019 (1;000) ✗ 02/02/17
ReH4NO4 ICSD 1394 I4_1/a (88) ✔ 20 96 1 4.2132 4.213 0.000 (0;000) ✗ 02/02/17
CsReO4 ICSD 72817 I4_1/amd (141) ✔ 12 96 1 4.7877 4.788 0.000 (0;000) ✗ 02/02/17
Na3BS3 COD 1511253 C2/c (15) ✔ 14 96 1 2.5788 2.726 0.000 (0;000) ✗ 02/02/17
YTaO4 ICSD 109190 C2/c (15) ✔ 12 96 3 4.321 4.479 0.000 (0;000) ✗ 27/01/17
NbI5 ICSD 10457 P-1 (2) ✔ 12 96 1 0.0 0.048 0.113 (0;111) ✗ 06/10/16
Ba2GeSe4 ICSD 414166 P2_1/m (11) ✔ 14 96 1 1.4911 1.491 0.000 (0;000) ✗ 02/02/17
K2Be2PbF8 ICSD 9902 R-3m (166) ✔ 13 96 1 4.8662 4.960 0.000 (0;000) ✗ 05/01/17
CsRe COD 9015216 Pnma (62) ✔ 8 96 1 0.0 0.006 0.325 (0;000) ✗ 02/02/17
CdSe2 ICSD 620416 Pa3 (205) ✔ 12 96 3 0.4947 0.650 0.000 (0;000) ✗ 02/02/17
VPO5 ICSD 108983 P4/n (85) ✔ 14 96 3 1.0535 1.201 0.000 (0;000) ✗ 27/01/17
Cr3O COD 1528029 Pm-3n (223) ✔ 8 96 3 0.0 0.009 0.762 (1;000) ✗ 27/01/17
Ni2GeO4 ICSD 69508 Fd-3m (227) ✔ 14 96 3 0.0 0.000 0.756 (0;000) ✗ 27/01/17