Formula | P2Rh2Se6 |
Reduced formula | PRhSe3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 10 |
Unique ID | 16 |
Unit cell volume [Å3] | 188.734 |
name of the prototype | BaNiO3 |
name of the system | RhPSe3 |
Space group | P6_3/mmc (194) |
PBE total energy [eV] | -40.159 |
PBE heat of formation [eV/atom] | 0.527 |
Energy [eV] | 387.361 |
Maximum force [eV/Å] | 0.003 |
Maximum stress component [eV/Å3] | 0.000 |