• Formula : Br
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.6567
    b = 4.5541
    c = 8.7068
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 28
  • Band gap = 1.7043 eV
    Direct Gap = 1.768 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 170 K,
    Molecular Physics 53, 929 (1984)

Band structure with spin-orbit coupling