• Formula : TiNi
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.622
    b = 4.21
    c = 2.885
    α = 90.0
    β = 96.8
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.025 eV
    Metallicity = 0.763
    Topological Z2 indices ν = (1;100)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 105414

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes