• Formula : Cs2P3
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.972
    b = 14.999
    c = 9.438
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 66
  • Band gap = 0.8432 eV
    Direct Gap = 0.843 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 65185

Band structure with spin-orbit coupling