• Formula : K4CO4
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.83444
    b = 7.33625
    c = 5.54579
    α = 90.0
    β = 97.8738
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 2.8885 eV
    Direct Gap = 2.927 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245424

Band structure with spin-orbit coupling