• Formula : SiPd
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.6173
    b = 3.3909
    c = 6.1534
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.027 eV
    Metallicity = 0.394
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Note on the crystal structures of Ru5 Si3 and Pd Si,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 24, 1466 (1970)

Band structure with spin-orbit coupling