• Formula : Li2FeSnS4
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.3727
    b = 6.7776
    c = 7.9113
    α = 90.0
    β = 90.207
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.502
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 425761

Band structure with spin-orbit coupling