• Formula : MnCuO2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.53
    b = 2.884
    c = 5.898
    α = 90.0
    β = 104.6
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 38
  • Band gap = 0.0 eV
    Direct Gap = 0.040 eV
    Metallicity = 0.274
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure and composition of crednerite, CuMnO2 Locality: synthetic Note: calculated bond lengths unreconcileable with reported,
    Soviet Physics Crystallography 3, 703 (1959)

Band structure with spin-orbit coupling