• Formula : K(SnAu2)2
  • Space Group : I-4c2 (120)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.847
    b = 8.847
    c = 8.178
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 162
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.694
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Struktur des K Au4 Sn2,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 33, 1077 (1978)

Band structure with spin-orbit coupling