• Formula : Mg(BrO3)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.25
    b = 7.4
    c = 6.3
    α = 90.0
    β = 93.5
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.663
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Struktur von Magnesiumchlorid- und Magnesiumbromidhexahydrat. _cod_database_code 1010257,
    Zeitschrift fur Kristallographie 87, 345 (1934)

Band structure with spin-orbit coupling