• Formula : V4Ag2O11
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 15.48
    b = 3.582
    c = 9.537
    α = 90.0
    β = 128.741
    γ = 90.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 140
  • Band gap = 0.6709 eV
    Direct Gap = 0.911 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and electronic properties of the Ag2 V4 O11 insertion electrode,
    Journal of Physics: Condensed Matter 13, 6675 (2001)

Band structure with spin-orbit coupling