• Formula : TiNi
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.8894
    b = 4.1334
    c = 4.6321
    α = 90.0
    β = 90.0
    γ = 96.929
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.469
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged,
    Powder Diffraction 24, 315 (2009)

Band structure with spin-orbit coupling