• Formula : CrFeP
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.833
    b = 3.569
    c = 6.658
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.432
    Topological Z2 indices ν = (0;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetization and neutron diffraction studies on FeCrP Locality: synthetic,
    Pramana - Journal of Physics 63, 199 (2004)

Band structure with spin-orbit coupling