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ferroelectric search distortion and workflow data and VASP files
Version 4 2020-01-27, 09:02
Version 3 2019-11-07, 02:37
Version 2 2019-02-08, 21:14
Version 1 2018-05-21, 19:58
dataset
posted on 2020-01-27, 09:02 authored by Tess SmidtTess Smidt, Stephanie MackStephanie Mack, Sebastian E. Reyes-Lillo, Anubhav Jain, Jeffrey B. NeatonThe 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).
