• Formula : K4CO4
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.95471
    b = 4.95471
    c = 4.95471
    α = 87.9935
    β = 87.9935
    γ = 87.9935
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 1.8687 eV
    Direct Gap = 2.055 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245427

Band structure with spin-orbit coupling