• Formula : RbCa2Ta3O10
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.8573
    b = 3.8573
    c = 15.044
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 128
  • Band gap = 2.141 eV
    Direct Gap = 2.351 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 89010

Band structure with spin-orbit coupling