Formula Ag4Ta4O12
Reduced formula AgTaO3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID 5
Unit cell volume [Å3] 271.104
Direct bandgap GLLB-SC [eV] 3.717
Indirect bandgap GLLB-SC [eV] 3.702
Derivative discontinuity GLLB-SC [eV] 1.232
double ruddlesden-popper or dion-jacobsen double
Composition AgTaAgTa-ox
Energy [eV] -151.298
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.077 4.077 0.000 Yes
2 -4.077 4.077 0.000 Yes
3 0.000 0.000 8.154 Yes
Lengths [Å] 5.766 5.766 8.154
Angles [°] 90.000 90.000 90.000
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