• Formula : AlCdCl4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.543
    b = 11.343
    c = 9.354
    α = 89.47
    β = 103.71
    γ = 90.46
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 86
  • Band gap = 2.972 eV
    Direct Gap = 3.200 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 59173

Band structure with spin-orbit coupling