• Formula : Li7Sn2
  • Space Group : Cmmm (65)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.8
    b = 13.8
    c = 4.75
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.601
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur der Phase Li7 Sn2,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 30, 6 (1975)

Band structure with spin-orbit coupling