• Formula : Al2CdCl8
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 12.887
    b = 6.602
    c = 7.051
    α = 90.0
    β = 92.89
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 148
  • Band gap = 4.0271 eV
    Direct Gap = 4.029 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 62037

Band structure with spin-orbit coupling