• Formula : Sr2Sc2B4O11
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.293
    b = 7.285
    c = 5.084
    α = 90.71
    β = 104.68
    γ = 78.07
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 120
  • Band gap = 4.5568 eV
    Direct Gap = 4.606 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 86435

Band structure with spin-orbit coupling