Formula K4O12
Reduced formula KO3
Stoichiometry AB3
Number of species 2
Number of atoms 16
Unique ID K4O12
Unit cell volume [Å3] 240.899
Heat of formation [eV/atom] -0.643
Energy [eV] -76.657
Maximum force [eV/Å] 0.381
Maximum stress component [eV/Å3] 0.028
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.238 4.238 3.353 Yes
2 4.238 -4.238 -3.353 Yes
3 -4.238 4.238 -3.353 Yes
Lengths [Å] 6.868 6.868 6.868
Angles [°] 121.543 103.794 103.794
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web