• Formula : Ag3P11
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 12.999
    b = 7.555
    c = 6.612
    α = 90.0
    β = 118.84
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 88
  • Band gap = 0.7858 eV
    Direct Gap = 1.147 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation and crystal structure of trisilver undecaphosphide, Ag3 P11, an unusual defect tetrahedral compound,
    Inorganic Chemistry 20, 833 (1981)

Band structure with spin-orbit coupling