Anubhav Jain,
Shyue Ping Ong,
Geoffroy Hautier,
Wei Chen,
William Davidson Richards,
Stephen Dacek,
Shreyas Cholia,
Dan Gunter,
David Skinner,
Gerbrand Ceder,
Kristin A. Persson,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
The JARVIS_Materials_Project_2020 dataset is part of the joint automated repository for various integrated simulations (JARVIS) DFT database. This subset contains 127,000 configurations of 3D materials from the Materials Project database. JARVIS is a set of tools and datasets built to meet current materials design challenges.