• Formula : BaGe(PO4)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.9671
    b = 5.0757
    c = 7.7146
    α = 90.0
    β = 94.954
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 72
  • Band gap = 4.6127 eV
    Direct Gap = 4.708 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 423040

Band structure with spin-orbit coupling