• Formula : Ca(AsO3)2
  • Space Group : P312 (149)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 4.824
    b = 4.824
    c = 5.08
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 56
  • Band gap = 3.1687 eV
    Direct Gap = 3.461 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 29534

Band structure with spin-orbit coupling