• Formula : AuBr
  • Space Group : P4_2/ncm (138)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.296
    b = 4.296
    c = 12.146
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 1.7201 eV
    Direct Gap = 1.721 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal growth and the crystal structures of two modifications of gold monobromide, I-AuBr and P-Au Br,
    Journal of the Less-Common Metals 57, 58 (1978)

Band structure with spin-orbit coupling