• Formula : CaSnAu
  • Space Group : Imm2 (44)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.5261
    b = 7.1356
    c = 7.8147
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 70
  • Band gap = 0.0 eV
    Direct Gap = 0.035 eV
    Metallicity = 0.553
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The low-temperature form of calcium gold stannide, CaAuSn,
    Acta Crystallographica Section C 70, (2014)

Band structure with spin-orbit coupling