• Formula : P2Os
  • Space Group : Pmnn (58)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.1001
    b = 5.9012
    c = 2.9182
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.727 eV
    Direct Gap = 1.144 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 42609

Band structure with spin-orbit coupling