Screening stable and metastable ABO3 perovskites using machine learning and the materials project
Haiying Liu, Jiucheng Cheng, Hongzhou Dong, Jianguang Feng, Beili Pang, Ziya Tian, Shuai Ma, Fengjin Xia, Chunkai Zhang, Lifeng Dong
Topics & Concepts
Perovskite (structure)ElectronegativityMetastabilityMaterials scienceAtom (system on chip)OctahedronAtomic radiusCrystallographyCrystal structureChemistryComputer scienceOrganic chemistryEmbedded systemMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyElectronic and Structural Properties of Oxides