| Formula | Mo2Te4 |
| Reduced formula | MoTe2 |
| Stoichiometry | AB2 |
| Number of species | 2 |
| Number of atoms | 6 |
| Unique ID | Mo2Te4 |
| Unit cell volume [Å3] | 156.525 |
| Heat of formation [eV/atom] | -0.300 |
| Energy [eV] | -37.025 |
| Maximum force [eV/Å] | 0.103 |
| Maximum stress component [eV/Å3] | 0.002 |