• Formula : NaSc(GeO3)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.162
    b = 9.154
    c = 5.571
    α = 90.0
    β = 107.26
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 4.0198 eV
    Direct Gap = 4.020 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 22503

Band structure with spin-orbit coupling