• Formula : CsI4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.19
    b = 9.0
    c = 10.23
    α = 90.0
    β = 114.33
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 148
  • Band gap = 1.4286 eV
    Direct Gap = 1.453 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 44621

Band structure with spin-orbit coupling