• Formula : YCu(WO4)2
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.939
    b = 6.042
    c = 5.025
    α = 112.3
    β = 92.84
    γ = 111.77
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 126
  • Band gap = 1.0866 eV
    Direct Gap = 1.304 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 36622

Band structure with spin-orbit coupling