• Formula : MnAgO4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.623
    b = 8.349
    c = 7.14
    α = 90.0
    β = 92.44
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 0.7334 eV
    Direct Gap = 0.762 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure refinement of silver permanganate,
    Zeitschrift fuer Kristallographie (149,1979-) 169, 295 (1984)

Band structure with spin-orbit coupling