• Formula : K4CO4
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 10.64862
    b = 5.52021
    c = 5.63957
    α = 90.0
    β = 115.9229
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 2.3193 eV
    Direct Gap = 2.486 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245422

Band structure with spin-orbit coupling