• Formula : Zn2AsO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.83
    b = 6.711
    c = 5.648
    α = 104.7
    β = 92.3
    γ = 76.8
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 118
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.285
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of paradamite,
    American Mineralogist 65, 353 (1980)

Band structure with spin-orbit coupling