• Formula : Cs2CdI4
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.838
    b = 8.403
    c = 11.048
    α = 90.0
    β = 110.57
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 116
  • Band gap = 2.7112 eV
    Direct Gap = 2.711 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Polymorphisme de l'iodure de cesium et de cadmium,
    Revue de Chimie Minerale 24, 414 (1987)

Band structure with spin-orbit coupling