• Formula : InAg3(PO4)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.7037
    b = 5.4885
    c = 7.3404
    α = 90.0
    β = 93.897
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 104
  • Band gap = 1.2304 eV
    Direct Gap = 1.490 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245001

Band structure with spin-orbit coupling