• Formula : Y5Sn3
  • Space Group : P6_3/mcm (193)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.902
    b = 8.902
    c = 6.536
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 194
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.727
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A D8(8)-type phase in the yttrium-tin system,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 18, 2394 (1964)

Band structure with spin-orbit coupling