• Formula : Sr(AsO3)2
  • Space Group : P6_3/mcm (193)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.853
    b = 4.853
    c = 10.867
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 112
  • Band gap = 3.844 eV
    Direct Gap = 4.081 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 420297

Band structure with spin-orbit coupling