Materials Design

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table-thermodynamic-Ni-PBE.txt Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Plain Text - 138.4 KB - MD5: 0e9c88396227953c9c2b0aba2476585b The free energies and the final thermodynamic database (properties) for fcc Ni using the PBE functional.

table-thermodynamic-Ni-PBE.txt

Plain Text - 138.4 KB -

The free energies and the final thermodynamic database (properties) for fcc Ni using the PBE functional.