• Formula : Sr2Mg(BO3)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.046
    b = 5.1579
    c = 6.103
    α = 90.0
    β = 118.691
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 72
  • Band gap = 4.7924 eV
    Direct Gap = 4.792 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Strontium magnesium borate, Sr~2~Mg(BO~3~)~2~,
    Acta Crystallographica Section E 63, i175 (2007)

Band structure with spin-orbit coupling