• Formula : NaSn2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 13.3916
    b = 6.8541
    c = 15.4889
    α = 90.0
    β = 102.5281
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 296
  • Band gap = 0.0 eV
    Direct Gap = 0.204 eV
    Metallicity = 0.147
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    NaSn2: A Novel Binary Zintl Phase with 2D Polyanions of Realgar-Type Units [Sn8]4-,
    Inorganic Chemistry 44, 477 (2005)

Band structure with spin-orbit coupling