• Formula : Cu3P
  • Space Group : P6_3cm (185)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.9986
    b = 6.9986
    c = 7.1357
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 228
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.232
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors,
    Journal of the American Chemical Society 131, 16177 (2009)

Band structure with spin-orbit coupling