• Formula : CdHg2SO6
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.793
    b = 7.205
    c = 7.359
    α = 73.224
    β = 66.505
    γ = 63.054
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 156
  • Band gap = 1.5314 eV
    Direct Gap = 1.669 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 413287

Band structure with spin-orbit coupling