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Dataset for Co-substituted BiFeO3: thermodynamic, electronic and ferroelectric properties from first principles

<p>Data files related to the&nbsp;publication<em><strong>&nbsp;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.&nbsp;</p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0

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