• Formula : CdCuF4
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.328
    b = 5.328
    c = 10.32
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 102
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.620
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The binary system CuF2-CdF2. Structural, spectroscopic and magnetic studies on CdCuF4,
    European Journal of Solid State and Inorganic Chemistry 30, 789 (1993)

Band structure with spin-orbit coupling