• Formula : Rb2Cd5As4
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.432
    b = 7.587
    c = 12.507
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 196
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.013
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~,
    Acta Crystallographica Section C 69, 455 (2013)

Band structure with spin-orbit coupling