• Formula : K3Ag2F7
  • Space Group : Ccce (68)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 20.8119
    b = 6.3402
    c = 6.2134
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 196
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.470
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),,
    CrystEngComm 11, 1702 (2009)

Band structure with spin-orbit coupling