• Formula : K4CdAs2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.797
    b = 5.797
    c = 27.724
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 58
  • Band gap = 0.6689 eV
    Direct Gap = 0.691 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of tetrapotassium diarsenidocadmate,
    Zeitschrift fuer Kristallographie (149,1979-) 197, 271 (1991)

Band structure with spin-orbit coupling