• Formula : Al2NiCl8
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 12.764
    b = 7.7141
    c = 11.4547
    α = 90.0
    β = 92.067
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 144
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.088
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 417872

Band structure with spin-orbit coupling