• Formula : NbPd3
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.486
    b = 13.602
    c = 4.845
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 402
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.987
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New intermediate phases in systems of Nb or Ta with Rh, Ir, Pd, or Pt,
    Acta Crystallographica (1,1948-23,1967) 17, 615 (1964)

Band structure with spin-orbit coupling