| Formula | P2Ti2Se6 |
| Reduced formula | PTiSe3 |
| Stoichiometry | ABC3 |
| Number of species | 3 |
| Number of atoms | 10 |
| Unique ID | 19 |
| Unit cell volume [Å3] | 192.119 |
| name of the prototype | BaNiO3 |
| name of the system | TiPSe3 |
| Space group | P6_3/mmc (194) |
| PBE total energy [eV] | -42.207 |
| PBE heat of formation [eV/atom] | 0.218 |
| Energy [eV] | 308.462 |
| Maximum force [eV/Å] | 0.010 |
| Maximum stress component [eV/Å3] | 0.000 |