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From: The synergy of geometric tolerance factor and machine learning in discovering stable materials
Figure 2. AI workflow and case studies with geometric tolerance factor. (A) General workflow incorporating geometric Tf for AI-driven materials discovery. Unlike standard approaches, this method eliminates the need for geometric optimization of unknown crystal structures prior to property prediction (the red dotted arrow); (B) Garnet discovery with Tf; (C) Chalcogenide discovery with Tf.






