• Formula : Nb3Pt
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.139
    b = 5.139
    c = 5.139
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.496
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The niobium (columbium)-platinum constitution diagram,
    Metallurgical Transactions A: Physical Metallurgy and Materials Science 16, 1943 (1985)

Band structure with spin-orbit coupling