10.60732/40d9f4e8

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Metadata

HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_validation Dataset

April M. Cooper, Johannes Kästner, Alexander Urban, Nongnuch Artrith,
Validation configurations of Li8Mo2Ni7Ti7O32 from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby total energy is extrapolated by a Taylor expansion as a means of reducing computational costs.

Citation

Cooper, A. M., Kästner, J., Urban, A., &amp; Nongnuch Artrith. (2023). <i>HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_validation</i> (Version 0) [Data set]. ColabFit. https://doi.org/10.60732/40D9F4E8