• Formula : Rb4In2S5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.317
    b = 10.976
    c = 7.612
    α = 111.32
    β = 94.7
    γ = 103.7
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 184
  • Band gap = 2.2237 eV
    Direct Gap = 2.224 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 23253

Band structure with spin-orbit coupling