• Formula : KCdF3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.103
    b = 6.103
    c = 8.66
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 168
  • Band gap = 3.3039 eV
    Direct Gap = 3.304 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of K Cd F3,
    Journal de Physique (Paris) 43, 1227 (1982)

Band structure with spin-orbit coupling