• Formula : In2Sn3S7
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.643
    b = 3.784
    c = 12.628
    α = 90.0
    β = 105.81
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 220
  • Band gap = 0.0 eV
    Direct Gap = 0.197 eV
    Metallicity = 0.102
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68366

Band structure with spin-orbit coupling