• Formula : TaSn2
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.801
    b = 5.628
    c = 19.177
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.650
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude comparee des trois diagrammes V-Sn, Nb-Sn, Ta-Sn,
    Colloques Internationaux du Centre National de la Recherche Scientifique 157, 229 (1967)

Band structure with spin-orbit coupling