• Formula : CsPd2F5
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.473
    b = 7.853
    c = 10.718
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.382
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetic structure of Cs Pd2 F5,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 621, 1958 (1995)

Band structure with spin-orbit coupling