• Formula : K4CO4
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.16252
    b = 5.16252
    c = 5.16252
    α = 84.77769
    β = 84.77769
    γ = 84.77769
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 2.2834 eV
    Direct Gap = 2.355 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245418

Band structure with spin-orbit coupling