Formula | O8Nb12Cl20 |
Reduced formula | O2Nb3Cl5 |
Stoichiometry | A2B3C5 |
Number of species | 3 |
Number of atoms | 40 |
Unique ID | O8Nb12Cl20 |
Unit cell volume [Å3] | 804.917 |
Heat of formation [eV/atom] | -1.748 |
Energy [eV] | -270.531 |
Maximum force [eV/Å] | 0.542 |
Maximum stress component [eV/Å3] | 0.010 |