• Formula : Cs3LiCl4
  • Space Group : Cm2m (38)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 10.8
    b = 4.53
    c = 13.21
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 58
  • Band gap = 4.5309 eV
    Direct Gap = 4.531 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245969

Band structure with spin-orbit coupling