Formula Pb2Nb2Ti2Na2O12
Reduced formula PbNbTiNaO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 2
Unit cell volume [Å3] 262.481
Direct bandgap GLLB-SC [eV] 3.603
Indirect bandgap GLLB-SC [eV] 3.603
Derivative discontinuity GLLB-SC [eV] 0.700
double ruddlesden-popper or dion-jacobsen double
Composition PbTiNaNb-ox
Energy [eV] -152.135
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.033 4.033 0.000 Yes
2 -4.033 4.033 0.000 Yes
3 0.000 0.000 8.067 Yes
Lengths [Å] 5.704 5.704 8.067
Angles [°] 90.000 90.000 90.000
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