氮化硼形成焓预测模型
选择POSCAR文件:
已上传POSCAR文件内容:
基于MBTR方法计算的形成焓:
参考文献:
Z. Y. Zheng, T. F. Xu, D. Legut, and R. F. Zhang*. High-throughput informed machine learning models for ultrastrong B-N solids, Computational Materials Science 215, 111789 (2022).
参考文献:
Z. Y. Zheng, T. F. Xu, D. Legut, and R. F. Zhang*. High-throughput informed machine learning models for ultrastrong B-N solids, Computational Materials Science 215, 111789 (2022).