• Formula : Cs2Li3I5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.668
    b = 4.721
    c = 10.987
    α = 90.0
    β = 115.73
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 62
  • Band gap = 3.703 eV
    Direct Gap = 3.703 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35655

Band structure with spin-orbit coupling