• Formula : CoCuO2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.95
    b = 5.95
    c = 5.95
    α = 27.7
    β = 27.7
    γ = 27.7
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 40
  • Band gap = 0.695 eV
    Direct Gap = 0.971 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Le systeme Co-Cu-O.,
    Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 238, 1829 (1954)

Band structure with spin-orbit coupling