• Formula : Hg5Pd2
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.463
    b = 9.463
    c = 3.031
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 192
  • Band gap = 0.0 eV
    Direct Gap = 0.029 eV
    Metallicity = 0.783
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Pd2 Hg5,
    Monatshefte fuer Chemie (-108,1977) 96, 884 (1965)

Band structure with spin-orbit coupling