• Formula : VAgO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.437
    b = 9.897
    c = 5.532
    α = 90.0
    β = 99.69
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 168
  • Band gap = 1.898 eV
    Direct Gap = 1.899 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of alpha-Ag V O3 and phase relation of Ag V O3,
    Journal of Solid State Chemistry 142, 360 (1999)

Band structure with spin-orbit coupling