• Formula : Rb2PdBr6
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.02
    b = 10.02
    c = 10.02
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0222 eV
    Direct Gap = 0.153 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Raumgitter von Komplexsalzen,
    Diss. ETH Zuerich 1, 1 (1926)

Band structure with spin-orbit coupling