• Formula : Zn3P2
  • Space Group : Pn-3m (224)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.68
    b = 5.68
    c = 5.68
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.124
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti,
    Gazzetta Chimica Italiana 58, 655 (1928)

Band structure with spin-orbit coupling