• Formula : Ni3Sn4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.2
    b = 4.055
    c = 5.215
    α = 90.0
    β = 105.03
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 86
  • Band gap = 0.0 eV
    Direct Gap = 0.119 eV
    Metallicity = 0.642
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Ni3 Sn4,
    Naturwissenschaften 32, 76 (1944)

Band structure with spin-orbit coupling