• Formula : NbBRu
  • Space Group : Pmma (51)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.8672
    b = 3.1543
    c = 6.35
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 192
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.685
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor,
    Chemistry of Materials 27, 1149 (2015)

Band structure with spin-orbit coupling