• Formula : NiBi3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.8796
    b = 4.0997
    c = 11.4782
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 220
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.716
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 391336

Band structure with spin-orbit coupling