• Formula : NiWO4
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6
    b = 5.66
    c = 4.91
    α = 90.0
    β = 90.01
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.037 eV
    Metallicity = 0.108
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structure of Ni W O4,
    Acta Crystallographica (1,1948-23,1967) 10, 209 (1957)

Band structure with spin-orbit coupling