Full formulaSpace groupHMHALLLattice systemBand gapStructure fileSource
Cu4O4Sc4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
CaNdPa160R3mR 3 -2"Hexagonal0.00000 eVCIF | POSCAR | LAMMPSOQMD
Li4O4Sc4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Na4O4Sc4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
K4O4Sc4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Cu4La4O4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Au4La4O4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
La4Li4O4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
FePaPr216F-43mF -4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
La4Na4O4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
CoPaTb216F-43mF -4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Ce4Hg4O4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
LuPaSr216F-43mF -4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Ce4Li4O4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Ce4Na4O4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
AuBiPa216F-43mF -4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Cu4O4Pr4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD
HgPaRe216F-43mF -4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
KMoPa216F-43mF -4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Ag4O4Pr4Te414P21/c-P 2ybcMonoclinic0.00000 eVCIF | POSCAR | LAMMPSOQMD