Formula Ag2Ba2Ta2Ti2O12
Reduced formula AgBaTaTiO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 20
Unit cell volume [Å3] 268.998
Direct bandgap GLLB-SC [eV] 3.664
Indirect bandgap GLLB-SC [eV] 3.652
Derivative discontinuity GLLB-SC [eV] 0.730
double ruddlesden-popper or dion-jacobsen double
Composition AgTaBaTi-ox
Energy [eV] -157.060
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.067 4.067 0.000 Yes
2 -4.067 4.067 0.000 Yes
3 0.000 0.000 8.133 Yes
Lengths [Å] 5.751 5.751 8.133
Angles [°] 90.000 90.000 90.000
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