Xiaojuan Hu

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Articles

Unveiling the physical mechanisms driving delafossite crystal (ABX2) formation through interpretable machine learning

May 24, 2024 | pubs.rsc.org | Ning Xu |Zheng Li |Xiaolan Fu |Xiaojuan Hu

Unveiling the physical mechanisms driving delafossite crystal (ABX2) formation through interpretable machine learning† A method integrating machine learning with first-principles calculations is employed to forecast the formation energy of delafossite crystals, facilitating the rapid identification of stable crystals.

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