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Formula : K
2
AgF
4
Space Group :
P2_1/c (14)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 3.7174
b = 10.2736
c = 6.3856
α = 90.0
β = 91.745
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 114
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.547
Topological Z2 indices ν = (0;010)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 421461
Band structure with spin-orbit coupling