GaAs training data visualization

DOI10.5281/zenodo.10566825Zenodo10566825MaRDI QIDQ6724628

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 25 January 2024

Copyright license: No records found.

A collection of Ga(x)As(1-x) structures to train a MLIP, including force and energy data. The structures are stored in extended xyz format, and have been converted to have structural data expressed in Å, energies in eV, and forces in eV/Å. The data also contains a gzipped json file that can be visualized using http://chemiscope.org

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