Formula | Ga2P2Se6 |
Reduced formula | GaPSe3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 10 |
Unique ID | 18 |
Unit cell volume [Å3] | 213.347 |
name of the prototype | BaNiO3 |
name of the system | GaPSe3 |
Space group | P6_3/mmc (194) |
PBE total energy [eV] | -36.347 |
PBE heat of formation [eV/atom] | 0.060 |
Energy [eV] | 342.753 |
Maximum force [eV/Å] | 0.000 |
Maximum stress component [eV/Å3] | 0.000 |