• Formula : Ba2YGaSe5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.2876
    b = 8.6597
    c = 9.3876
    α = 103.51
    β = 103.04
    γ = 107.43
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 1.4878 eV
    Direct Gap = 1.895 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 262882

Band structure with spin-orbit coupling