• Formula : Fe3Sn
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.873
    b = 3.873
    c = 3.873
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 38
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.867
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Effect of high pressure on the structures of A B3-type layered compounds,
    Materials Research Society Symposia Proceedings 22, 113 (1984)

Band structure with spin-orbit coupling