• Formula : K2PdBr4
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.409
    b = 7.409
    c = 4.309
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 64
  • Band gap = 1.1261 eV
    Direct Gap = 1.126 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Potassium tetrabromopalladate(II),
    Acta Crystallographica B (24,1968-38,1982) 31, 2538 (1975)

Band structure with spin-orbit coupling