• Formula : Li7Sn3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.56
    b = 4.72
    c = 9.45
    α = 90.0
    β = 105.95
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 126
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.982
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Struktur der Phase Li7 Sn3,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 29, 304 (1974)

Band structure with spin-orbit coupling