• Formula : K2Cr2O7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.47
    b = 7.35
    c = 12.97
    α = 90.0
    β = 91.92
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 176
  • Band gap = 0.0467 eV
    Direct Gap = 0.211 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    An electron-diffraction study of the structure of potassium dichromate,
    Kristallografiya 9, 44 (1964)

Band structure with spin-orbit coupling