Formula | Zr6S4 |
Reduced formula | Zr3S2 |
Stoichiometry | A2B3 |
Number of species | 2 |
Number of atoms | 10 |
Unique ID | S4Zr6 |
Unit cell volume [Å3] | 199.352 |
Heat of formation [eV/atom] | -1.218 |
Energy [eV] | -72.912 |
Maximum force [eV/Å] | 0.028 |
Maximum stress component [eV/Å3] | 0.007 |