Machine learning lattice constants for cubic perovskite A<sub>2</sub><sup>2+</sup>BB′O<sub>6</sub> compounds
Yun Zhang, Xiaojie Xu
Abstract
The GPR model (M2) is developed to elucidate the statistical relationship among ionic radii, electronegativities, oxidation states, and lattice constants for cubic A<sub>2</sub><sup>2+</sup>BB′O<sub>6</sub> perovskites. The model demonstrates a high degree of accuracy and stability.
Topics & Concepts
ElectronegativityIonic radiusLattice constantPerovskite (structure)Lattice (music)Ionic bondingPhysical chemistryMaterials scienceChemistryCrystallographyThermodynamicsPhysicsIonQuantum mechanicsAcousticsDiffractionAdvanced Condensed Matter PhysicsPerovskite Materials and ApplicationsMultiferroics and related materials