ferroelectric search distortion and workflow data and VASP files
收藏Figshare2022-02-02 更新2026-04-08 收录
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https://figshare.com/articles/dataset/ferroelectric_search_VASP_files/6025634/4
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资源简介：
The zipped JSON files (distortion.json.gz and workflow_data.json.gz) contain details for each candidate from a search of the Materials Project database for ferroelectrics. These JSON files provide details of the symmetry analysis performed for each candidate and data generated by DFT calculations and post-processing from the workflow (respectively).<br>The zipped folders contain VASP input and output files for ferroelectric search of Materials Project.
提供机构：
Jain, Anubhav; Neaton, Jeffrey B.; Smidt, Tess; Mack, Stephanie; Reyes-Lillo, Sebastian E.
创建时间：
2020-01-27
