• Formula : TiNi
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.17
    b = 3.11
    c = 12.55
    α = 96.06
    β = 105.18
    γ = 84.09
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.909
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 150627

Band structure with spin-orbit coupling