ferroelectric search distortion and workflow data and VASP files
datasetposted on 2020-01-27, 09:02 authored by Tess SmidtTess Smidt, Stephanie MackStephanie Mack, Sebastian E. Reyes-Lillo, Anubhav Jain, Jeffrey B. Neaton
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).
The zipped folders contain VASP input and output files for ferroelectric search of Materials Project.