• Formula : KCoO2
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.811
    b = 3.811
    c = 7.908
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 76
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.485
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kenntnis von K Co O2 und Rb Co O2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 417, 31 (1975)

Band structure with spin-orbit coupling