Formula | Nb4O4Cl12 |
Reduced formula | NbOCl3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 20 |
Unique ID | Nb4O4Cl12 |
Unit cell volume [Å3] | 473.964 |
Heat of formation [eV/atom] | -1.730 |
Energy [eV] | -117.821 |
Maximum force [eV/Å] | 0.259 |
Maximum stress component [eV/Å3] | 0.014 |