• Formula : Cr2F5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.773
    b = 7.54
    c = 7.44
    α = 90.0
    β = 124.25
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 126
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.212
    Topological Z2 indices ν = (1;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structure of Cr2 F5,
    Acta Crystallographica (1,1948-23,1967) 17, 823 (1964)

Band structure with spin-orbit coupling