• Formula : TaNi3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.5319
    b = 5.1253
    c = 8.632
    α = 90.0
    β = 100.79
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 172
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.810
    Topological Z2 indices ν = (1;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 54304

Band structure with spin-orbit coupling