• Formula : B2Os
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.684
    b = 2.872
    c = 4.076
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.175 eV
    Metallicity = 0.368
    Topological Z2 indices ν = (0;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ru B2, Os B2 and Ir B1.35 and some general comments on the crystal chemistry of borides in the composition-range Me B - Me B3,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 17, 2036 (1963)

Band structure with spin-orbit coupling