• Formula : CdHg2SeO6
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.9097
    b = 7.1786
    c = 7.4556
    α = 74.586
    β = 68.229
    γ = 63.886
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 156
  • Band gap = 1.2137 eV
    Direct Gap = 1.289 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 413288

Band structure with spin-orbit coupling