• Formula : Fe2Sn
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.224
    b = 4.224
    c = 5.222
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.858
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude de la phase Fe5 Sn3 et de quelques solutions solides,
    Annales de Chimie (Paris) 1970, 505 (1970)

Band structure with spin-orbit coupling