| Formula | V2F6 |
| Reduced formula | VF3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 8 |
| Unique ID | V2F6 |
| Unit cell volume [Å3] | 86.146 |
| Heat of formation [eV/atom] | -2.937 |
| Energy [eV] | -50.064 |
| Maximum force [eV/Å] | 0.074 |
| Maximum stress component [eV/Å3] | 0.079 |
| Total magnetic moment [μB] | 4.000 |