Formula NbS2
Reduced formula NbS2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID NbS2
Unit cell volume [Å3] 107.707
Heat of formation [eV/atom] -1.084
Energy [eV] -21.736
Maximum force [eV/Å] 0.110
Maximum stress component [eV/Å3] 0.004
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -1.674 2.898 0.000 Yes
2 -1.674 -2.898 0.000 Yes
3 1.674 0.000 11.101 Yes
Lengths [Å] 3.347 3.347 11.227
Angles [°] 94.278 94.278 119.973
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web