• Formula : Co3O4
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.0837
    b = 8.0837
    c = 8.0837
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 150
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.106
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN II, T = 296 K,
    Physics and Chemistry of Minerals 17, 168 (1990)

Band structure with spin-orbit coupling