Formula Sn2Ti2Ca4O12
Reduced formula SnTiCa2O6
Stoichiometry ABC2D6
Number of species 4
Number of atoms 20
Unique ID 14
Unit cell volume [Å3] 255.473
Direct bandgap GLLB-SC [eV] 5.022
Indirect bandgap GLLB-SC [eV] 5.021
Derivative discontinuity GLLB-SC [eV] 1.099
double ruddlesden-popper or dion-jacobsen double
Composition CaTiCaSn-ox
Energy [eV] -146.581
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.997 3.997 0.000 Yes
2 -3.997 3.997 0.000 Yes
3 0.000 0.000 7.995 Yes
Lengths [Å] 5.653 5.653 7.995
Angles [°] 90.000 90.000 90.000
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