Formula Nb2Rb2Ta2Tl2O12
Reduced formula NbRbTaTlO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 16
Unit cell volume [Å3] 287.525
Direct bandgap GLLB-SC [eV] 1.794
Indirect bandgap GLLB-SC [eV] 1.756
Derivative discontinuity GLLB-SC [eV] 0.307
double ruddlesden-popper or dion-jacobsen double
Composition RbTaTlNb-ox
Energy [eV] -153.822
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.158 4.158 0.000 Yes
2 -4.158 4.158 0.000 Yes
3 0.000 0.000 8.316 Yes
Lengths [Å] 5.880 5.880 8.316
Angles [°] 90.000 90.000 90.000
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