Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI: <a href="https://doi.org/10.1038/s41524-022-00956-8">10.1038/s41524-022-00956-8</a> (2023) <br>
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This data set contains <br>
- the training sets (VASP files), <br>
- the low moment-tensor-potentials (MTPs) and high-MTPs, <br>
- the effective quasiharmonic (QH) potentials, <br>
- the free energies, <br>
- and the final thermodynamic database (properties) for the four unaries: <br>
Nb bcc PBE, Ni fcc PBE, Al fcc PBE, Al fcc LDA, Mg hcp PBE, and Mg hcp LDA. (niobium, nickel, aluminum, and magnesium) <br>
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A flowchart and step-by-step methodology are provided in the Supplementary Information of the publication, and a short method in its main text, for the reproduction of the results.