• Formula : NbNiB2
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.037
    b = 3.117
    c = 8.192
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 116
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.470
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 614910

Band structure with spin-orbit coupling