Formula Sn2Ca4Ti2O12
Reduced formula SnCa2TiO6
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
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web