• Formula : Cs3As5O9
  • Space Group : P31m (157)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.455
    b = 8.455
    c = 6.0262
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 106
  • Band gap = 3.3799 eV
    Direct Gap = 3.469 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 413151

Band structure with spin-orbit coupling