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Name HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_train
Extended ID HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_train_CooperKastnerUrbanArtrith__DS_1i4q8uyams32_0
Description Training 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.
Authors April M. Cooper
Johannes Kästner
Alexander Urban
Nongnuch Artrith
DOI 10.60732/1c1bf708

Cite as: Cooper, A. M., Kästner, J., Urban, A., and Artrith, N. "HO LiMoNiTi NPJCM 2020 LiMoNiTi train." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Li (14.29%)
Mo (3.57%)
Ni (12.5%)
O (57.14%)
Ti (12.5%)
Number of Data Objects 824
Number of Configurations 824
Number of Atoms 46,144
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_1i4q8uyams32_0
Files colabfitspec.json

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