• Formula : B3Ru2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.9051
    b = 2.9051
    c = 12.8125
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 82
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.995
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structure of Ru2 B3 and W B2.0, as determined by single-crystal diffractometry, and some notes on the W - B system,
    Arkiv foer Kemi 30, 115 (1968)

Band structure with spin-orbit coupling