“…The experimental and theoretical results of cell parameters and unit cell volume are in line with other findings in the literature. 21,37,53,[56][57][58] The crystal/phase stability of Sr-doped pristine CaMnO 3 was analyzed based on the formation enthalpy DH f per atom. DH f of Ca 1Àx Sr x MnO 3 was calculated via the following formula: 61 where, E tot (Ca 1Àx Sr x MnO 3 ), E tot (Ca), E tot (Sr), E tot (Mn) and E tot (O) represent the total energy of magnate perovskite, Ca-, Sr-, Mn-and O-atoms, respectively, while N stands for the total number of atoms in the unit cell.…”