• Formula : KCd4As3
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.4714
    b = 4.4714
    c = 35.91
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.080 eV
    Metallicity = 0.031
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization,
    Inorganic Chemistry 50, 8375 (2011)

Band structure with spin-orbit coupling