• Formula : Li2FeGeS4
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.2286
    b = 6.6029
    c = 7.7938
    α = 90.0
    β = 90.047
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.017 eV
    Metallicity = 0.457
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 425762

Band structure with spin-orbit coupling