• Formula : Ni4W
  • Space Group : I4/m (87)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.73
    b = 5.73
    c = 3.553
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 54
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.698
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ni4 W,
    Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers 185, 267 (1949)

Band structure with spin-orbit coupling