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Supporting data for “Prediction of new Functional Materials via Evolutionary Algorithm and ab initio Study of their Potential Applications”
datasetposted on 2021-07-29, 04:44 authored by Jianjun Mao
Discovering new functional materials often drives significant innovation for industrial applications and provides new insights into fundamental scientific issues.Using evolutionary algorithm, new materials and new phases under high pressures and the 2D allotropes of group V elements are predicted. In addition, their potential applications are studied theoretically.