Data underlying the research of Kinetic and thermodynamic transition pathways of silica by machine learning: implication for meteorite impacts

We construct the potential energy surface of silica under various pressure conditions using machine learning potential and have refined three unique pressure windows, either kinetically or thermodynamically favored, to stabilize seifertite, which reached an agreement with observations in meteorites.

本研究采用机器学习势（machine learning potential）构建了不同压强条件下二氧化硅的势能面，并确定了三个兼具动力学与热力学稳定性优势的独特压强窗口，用以稳定赛弗石（seifertite），该结果与陨石中的观测数据相符。