• Formula : CdHgO2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.933
    b = 3.452
    c = 5.876
    α = 90.0
    β = 91.26
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 36
  • Band gap = 0.8009 eV
    Direct Gap = 0.840 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Cd Hg O2: ein Oxomercurat mit Verwandtschaft zur Crednerit-Struktur,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 620, 1137 (1994)

Band structure with spin-orbit coupling