• Formula : KCuO2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.375
    b = 11.699
    c = 5.417
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 64
  • Band gap = 0.923 eV
    Direct Gap = 1.302 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and Oxidation State Relationships in Ternary Copper Oxides,
    Journal of Solid State Chemistry 82, 21 (1989)

Band structure with spin-orbit coupling