• Formula : Mn2ZnO4
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.722
    b = 5.722
    c = 9.236
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.430
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Effet Jahn-Teller cooperatif dans le systeme ZnMn2O4-Zn2SnO4 Locality: synthetic,
    Annales de Chimie 1972, 301 (1972)

Band structure with spin-orbit coupling