Formula Ag2Ca2Ge2Ta2O12
Reduced formula AgCaGeTaO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 24
Unit cell volume [Å3] 247.472
Direct bandgap GLLB-SC [eV] 4.607
Indirect bandgap GLLB-SC [eV] 4.597
Derivative discontinuity GLLB-SC [eV] 1.451
double ruddlesden-popper or dion-jacobsen double
Composition AgTaCaGe-ox
Energy [eV] -143.033
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.955 3.955 0.000 Yes
2 -3.955 3.955 0.000 Yes
3 0.000 0.000 7.910 Yes
Lengths [Å] 5.593 5.593 7.910
Angles [°] 90.000 90.000 90.000
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