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Structural Search For Stable Mg–Ca Alloys Accelerated With A Neural Network Interatomic Model

Wilfredo Ibarra-Hernández, Samad Hajinazar, Guillermo Avendaño-Franco, Alejandro Bautista-Hernández, Aleksey N. Kolmogorov, Aldo H. Romero

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We have combined a neural network formalism with metaheuristic structural global search algorithms to systematically screen the Mg–Ca binary system for new (meta)stable alloys.