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AI discovers millions of stable crystal structures

AI discovers millions of stable crystal structures

Google DeepMind's GNoME project combined graph neural networks with large-scale density functional theory checks to propose more than 2.2 million inorganic crystal structures that were stable in those physics-based tests relative to earlier public catalogs, including 381,000 additions on the updated stability hull for a new total near 421,000 stable crystals. Independent experimental structures in the ICSD matched 736 of the model's stable outputs. None of this guarantees cheap manufacturing or immediate devices; stability in a database is one step, and synthesis remains hard.