• Formula : VAg2AsO6
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.3913
    b = 6.461
    c = 7.0661
    α = 116.105
    β = 91.759
    γ = 90.067
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 152
  • Band gap = 1.624 eV
    Direct Gap = 1.635 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 425757

Band structure with spin-orbit coupling