• Formula : K4CO4
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.19217
    b = 8.29722
    c = 4.72962
    α = 90.0
    β = 100.1426
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 0.521 eV
    Direct Gap = 0.796 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245421

Band structure with spin-orbit coupling