• Formula : RbCdCl3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.949
    b = 4.026
    c = 14.93
    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 = 3.7589 eV
    Direct Gap = 3.876 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 Rb Cd Cl3 and the polarized Raman spectra of Rb Cd X3 (X = Cl, Br),
    Canadian Journal of Chemistry 56, 1192 (1978)

Band structure with spin-orbit coupling