• Formula : Cd(RhO2)2
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.72168
    b = 8.72168
    c = 8.72168
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 140
  • Band gap = 0.8771 eV
    Direct Gap = 0.883 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-Pressure Synthesis, Crystal Structure, and Electromagnetic Properties of CdRh2O4: an Analogous Oxide of the Postspinel Mineral MgAl2O4,
    Inorganic Chemistry 51, 6868 (2012)

Band structure with spin-orbit coupling