• Formula : Cs3As2Cl9
  • Space Group : P321 (150)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 7.37
    b = 7.37
    c = 8.91
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 100
  • Band gap = 2.4958 eV
    Direct Gap = 2.496 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 45733

Band structure with spin-orbit coupling