Formula Nb6Se18
Reduced formula NbSe3
Stoichiometry AB3
Number of species 2
Number of atoms 24
Unique ID Nb6Se18
Unit cell volume [Å3] 535.488
Heat of formation [eV/atom] -0.694
Energy [eV] -141.305
Maximum force [eV/Å] 0.177
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 10.284 0.000 0.046 Yes
2 0.000 3.504 0.000 Yes
3 -5.286 0.000 14.835 Yes
Lengths [Å] 10.284 3.504 15.749
Angles [°] 90.000 109.356 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