• Formula : K4CO4
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.4564
    b = 7.98047
    c = 5.19308
    α = 90.0
    β = 98.3601
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 2.9078 eV
    Direct Gap = 3.076 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245426

Band structure with spin-orbit coupling