• Formula : Ni3P
  • Space Group : I-4 (82)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.9499
    b = 8.9499
    c = 4.385
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.807
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure refinement of synthetic analogue Locality: synthetic Sample: P-33/3,
    Mineralogical Magazine 67, 783 (2003)

Band structure with spin-orbit coupling