• Formula : Hg2AsCl2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.914
    b = 8.21
    c = 8.896
    α = 90.0
    β = 97.61
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 1.4642 eV
    Direct Gap = 1.834 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 39930

Band structure with spin-orbit coupling