• Formula : Ni3Sn2
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.11
    b = 5.21
    c = 8.23
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 232
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.513
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber Umwandlungen in Phasen vom aufgefuellten Ni As (Ni2 In) Strukturtyp,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 353, 270 (1967)

Band structure with spin-orbit coupling