• Formula : NiP3W2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.598
    b = 3.24
    c = 8.526
    α = 90.0
    β = 106.01
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 162
  • Band gap = 0.0 eV
    Direct Gap = 0.036 eV
    Metallicity = 0.478
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 41818

Band structure with spin-orbit coupling