| Formula | Zr4I16 |
| Reduced formula | ZrI4 |
| Stoichiometry | AB4 |
| Number of species | 2 |
| Number of atoms | 20 |
| Unique ID | Zr4I16 |
| Unit cell volume [Å3] | 1052.740 |
| Heat of formation [eV/atom] | -0.928 |
| Energy [eV] | -71.830 |
| Maximum force [eV/Å] | 0.116 |
| Maximum stress component [eV/Å3] | 0.000 |