• Formula : Pd16S7
  • Space Group : I-43m (217)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.93
    b = 8.93
    c = 8.93
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 23
    Total number of electrons per primitive cell = 330
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.651
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstruktur von Pd16S7 Locality: synthetic,
    Journal of the Less-Common Metals 50, 165 (1976)

Band structure with spin-orbit coupling