• Formula : S4I2O15
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.3793
    b = 6.6965
    c = 8.9993
    α = 96.237
    β = 94.769
    γ = 109.13
  • Number of atoms per primitive cell = 21
    Total number of electrons per primitive cell = 128
  • Band gap = 2.4767 eV
    Direct Gap = 2.599 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 427675

Band structure with spin-orbit coupling