FLLA Data
收藏Figshare2018-10-09 更新2026-04-08 收录
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https://figshare.com/articles/FLLA_Data/7108784/2
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资源简介：
Crystal structures dataset. Available in a Monty Encoder encoded JSON file and CSV. Recommended access method is through the matminer Python package using the datasets module.<br><br>Note on citations: If you found this dataset useful and would like to cite it in your work, please be sure to cite its original sources below rather than or in addition to this page.<br>Data representation described in the following:<br>F. Faber, A. Lindmaa, O.A. von Lilienfeld, R. Armiento, "Crystal structure representations for machine learning models of formation energies", Int. J. Quantum Chem. 115 (2015) 1094–1101. doi:10.1002/qua.24917.<br><br>Raw data sourced from the Materials Project:<br>Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G. & Persson, K. A. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater. 1, 11002 (2013).<br>
提供机构：
Hacking Materials
创建时间：
2018-10-09
