• Formula : Cu3P
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.092
    b = 4.092
    c = 7.186
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 76
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.548
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternaere Phasen des Lithiums mit Kupfer und Phosphor,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 385, 177 (1971)

Band structure with spin-orbit coupling