• Formula : VAgO3
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 18.106
    b = 3.5787
    c = 8.043
    α = 90.0
    β = 104.44
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 168
  • Band gap = 1.4813 eV
    Direct Gap = 1.493 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 82079

Band structure with spin-orbit coupling