• Formula : LiSn4Au3
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.4831
    b = 4.4831
    c = 20.557
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 184
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.825
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The stannides Li Au Sn and Li Au3 Sn4 - syntheses, structure and chemical bonding,
    Journal of Materials Chemistry 12, 676 (2002)

Band structure with spin-orbit coupling