• Formula : Cd2AsCl2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.858
    b = 9.193
    c = 8.189
    α = 90.0
    β = 119.95
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 1.2332 eV
    Direct Gap = 1.371 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure du Dichlorure d'Arsenic et de Dicadmium,
    Acta Crystallographica B (24,1968-38,1982) 36, 771 (1980)

Band structure with spin-orbit coupling