• Formula : Ni4B3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.4282
    b = 4.8795
    c = 7.819
    α = 90.0
    β = 103.315
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.809
    Topological Z2 indices ν = (1;101)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal Structure Refinements of Ni3 B, o-Ni4 B3, and m-Ni4 B3,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 21, 191 (1967)

Band structure with spin-orbit coupling