• Formula : Bi3Se4Br
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 20.529
    b = 4.0625
    c = 12.024
    α = 90.0
    β = 115.334
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 152
  • Band gap = 0.5735 eV
    Direct Gap = 0.606 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 411096

Band structure with spin-orbit coupling