• Formula : Co2Sn
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.109
    b = 4.109
    c = 5.18
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.021 eV
    Metallicity = 0.584
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal symmetry and cell parameters of the ordered phase of Co3 Sn2,
    Indian Journal for Pure and Applied Physics 8, 363 (1970)

Band structure with spin-orbit coupling