• Formula : CsHg5Cl11
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.879
    b = 14.269
    c = 6.668
    α = 90.0
    β = 119.93
    γ = 90.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 146
  • Band gap = 2.8247 eV
    Direct Gap = 2.946 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 39767

Band structure with spin-orbit coupling