• Formula : B2Ru
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.645
    b = 2.865
    c = 4.045
    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 = 0.059 eV
    Metallicity = 0.376
    Topological Z2 indices ν = (0;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Borides of ruthenium, osmium and iridium,
    Nature (London) 195, 377 (1962)

Band structure with spin-orbit coupling