• Formula : P2Pd15
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.1067
    b = 7.1067
    c = 17.0867
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 280
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.539
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Pd15 P2,
    Acta Chemica Scandinavica, Series A: (28,1974-) 31, 354 (1977)

Band structure with spin-orbit coupling