• Formula : SbBr3
  • Space Group : P2_12_12_1 (19)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 10.12
    b = 12.3
    c = 4.42
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 2.6249 eV
    Direct Gap = 2.908 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal and molecular structure of antimony tribromide: alpha-antimony tribromide,
    Journal of the Chemical Society 1964, 4162 (1964)

Band structure with spin-orbit coupling