• Formula : Mg(AlCl4)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 12.873
    b = 7.8959
    c = 11.617
    α = 90.0
    β = 92.348
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 144
  • Band gap = 4.9889 eV
    Direct Gap = 4.995 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 62046

Band structure with spin-orbit coupling