Dataset for Co-substituted BiFeO3: thermodynamic, electronic and ferroelectric properties from first principles
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Data files related to the publication<em><strong> Co-substituted BiFeO<sub>3</sub>: thermodynamic, electronic and ferroelectric properties from first principles</strong></em>. The paper is yet to be submitted. The dataset includes, (i) VASP input/output files for electronic structure and polarization calculations and (ii) GULP files for the thermodynamic study.
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Zenodo创建时间：
2021-11-26
