• Formula : Fe5B2P
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.482
    b = 5.482
    c = 10.332
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 102
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.760
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Some investigations of the ternary system Fe-P-B. Some features of the systems Cr-P-B, Mn-P-B, Co-P-B and Ni-P-B,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 16, 1 (1962)

Band structure with spin-orbit coupling