• Formula : Pt3Pb
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.058
    b = 4.058
    c = 4.058
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.213 eV
    Metallicity = 0.252
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zusammenhang zwischen strukturellen und dynamischen Eigenschaften bei Phasen der Kupferfamilie in T10-B4- Systemen,
    Journal of the Less-Common Metals 78, 21 (1981)

Band structure with spin-orbit coupling