Formula Mg2Sn2Zr4O12
Reduced formula MgSnZr2O6
Stoichiometry ABC2D6
Number of species 4
Number of atoms 20
Unique ID 3
Unit cell volume [Å3] 285.994
Direct bandgap GLLB-SC [eV] 4.944
Indirect bandgap GLLB-SC [eV] 4.792
Derivative discontinuity GLLB-SC [eV] 1.305
double ruddlesden-popper or dion-jacobsen double
Composition MgZrSnZr-ox
Energy [eV] -157.421
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.150 4.150 0.000 Yes
2 -4.150 4.150 0.000 Yes
3 0.000 0.000 8.301 Yes
Lengths [Å] 5.870 5.870 8.301
Angles [°] 90.000 90.000 90.000
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