Name: AlNiCu_AIP_2020 Extended ID: AlNiCu_AIP_2020__Onat-Ortner-Kermode__DS_vmnudsz7kx0a_0 Description: This dataset is formed from two parts: single-species datasets for Al, Ni, and Cu from the NOMAD Encyclopedia and multi-species datasets that include Al, Ni and Cu from NOMAD Archive. Duplicates have been removed from NOMAD Encyclopedia data. For the multi-species data, only the last configuration steps for each NOMAD Archive record were used because the last configuration typically cooresponds with a fully relaxed configuration. In this dataset, the NOMAD unique reference access IDs are retained along with a subset of their meta information that includes whether the supplied configuration is from a converged calculation as well as the Density Functional Theory (DFT) code, version, and type of DFT functionals with the total potential energies. This dataset consists of 39.1% Al, 30.7% Ni, and 30.2% Cu and has 27,987 atomic environments in 3337 structures. Authors: Berk Onat Christoph Ortner James R. Kermode DOI: 10.60732/2744ff4e Calculated Property Types: cauchy_stress energy Elements: Al (26.04%) Cu (35.19%) Ni (38.76%) Methods: DFT-undefined Software: GPAW VASP exciting FHI-aims Number of Configurations: 1,016 Number of Atoms: 4,646 Publication Link: https://doi.org/10.1063/5.0016005 Data Source Link: https://github.com/DescriptorZoo/sensitivity-dimensionality-results