ferroelectric search distortion and workflow data

Version 3 2019-01-18, 00:03

Version 2 2018-12-11, 01:52

Version 1 2018-05-21, 19:58

dataset

posted on 2018-12-11, 01:52 authored by Tess SmidtTess Smidt, Sebastian E. Reyes-Lillo, Anubhav Jain, Jeffrey B. Neaton

These files 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.

Funding

NSFGRF Grant No. DGE 1106400.

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Keywords

density functional theory VASP Materials Project Ferroelectricity Condensed Matter Physics Condensed Matter Modelling and Density Functional Theory Theory and Design of Materials Computational Physics

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CC BY 4.0

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