Published November 2, 2021 | Version Version 1
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Energy-volume curves and and structures for TCP phases in the Co-Ti-W system

  • 1. ICAMS, Ruhr University Bochum, Germany

Contributors

  • 1. ICAMS, Ruhr University Bochum, Germany

Description

Numeric data from the DFT calculated energy - volume curves for intermetalic compounds in the Co-Ti-W system, including TCP phases. Data is arranged as a json file with a structure that implies a unique identifier for each compound and includes e-v curves, crystal structure for the equilibrium volume, and results from the Birch-Murnaghan fit.

Data relatad to https://doi.org/10.1016/j.actamat.2017.07.037

Notes

Founded by German Research Society, CRC103/TR, project C1

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