• Formula : Ni3Sn
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.275
    b = 5.275
    c = 4.234
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.770
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des Ni3 Sn (Mg3 Cd-Typ= Ueberstruktur der hexagonal dichtesten Kugelpackung),
    Metallwirtschaft, Metallwissenschaft, Metalltechnik 16, 343 (1937)

Band structure with spin-orbit coupling