• Formula : Sn3Pt2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.334
    b = 4.334
    c = 12.96
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.721
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Pt2 Sn3,
    Zeitschrift fuer Metallkunde 40, 405 (1949)

Band structure with spin-orbit coupling