• Formula : B3Ru7
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.467
    b = 7.467
    c = 4.71
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 242
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.771
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ru7 B3,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 13, 109 (1959)

Band structure with spin-orbit coupling