• Formula : MnMoO4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.469
    b = 9.516
    c = 7.143
    α = 90.0
    β = 106.28
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 212
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.507
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of the transition-metal molybdates. I. Para magnetic alpha Mn Mo O4,
    Journal of Chemical Physics 43, 2533 (1965)

Band structure with spin-orbit coupling