• Formula : Cs4KLiGa2F12
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.307
    b = 6.307
    c = 30.587
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 158
  • Band gap = 6.6244 eV
    Direct Gap = 6.626 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 78927

Band structure with spin-orbit coupling