Formula Nb8O16
Reduced formula NbO2
Stoichiometry AB2
Number of species 2
Number of atoms 24
Unique ID Nb8O16
Unit cell volume [Å3] 284.442
Heat of formation [eV/atom] -2.637
Energy [eV] -227.880
Maximum force [eV/Å] 0.273
Maximum stress component [eV/Å3] 0.012
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 0.000 6.037 Yes
2 -4.854 4.854 3.019 Yes
3 -4.854 -4.854 -3.019 Yes
Lengths [Å] 6.037 7.498 7.498
Angles [°] 99.326 113.739 66.261
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web