• Formula : Fe2PO5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.2956
    b = 7.5605
    c = 7.2512
    α = 90.0
    β = 117.368
    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 = 0.000 eV
    Metallicity = 0.683
    Topological Z2 indices ν = (0;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Occurrence of a monoclinic distortion in $-beta-Fe2 P O5,
    Acta Crystallographica B (39,1983-) 52, 428 (1996)

Band structure with spin-orbit coupling