• Formula : PW3
  • Space Group : I-4 (82)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.89
    b = 9.89
    c = 4.808
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 356
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.668
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 648282

Band structure with spin-orbit coupling