• Formula : Li2SnS3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.3964
    b = 11.0864
    c = 12.4048
    α = 90.0
    β = 99.867
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 152
  • Band gap = 1.5363 eV
    Direct Gap = 1.546 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Fast Lithium Ion Conduction in Li2SnS3: Synthesis, Physicochemical Characterization, and Electronic Structure,
    Chemistry of Materials 27, 189 (2015)

Band structure with spin-orbit coupling