• Formula : K4CO4
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.17681
    b = 5.17681
    c = 5.17681
    α = 89.9514
    β = 89.9514
    γ = 89.9514
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 3.2247 eV
    Direct Gap = 3.274 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245423

Band structure with spin-orbit coupling