We are preparing a computational paper on the thermodynamic stability of a calcium-carbonate layer on aluminium current collectors (in conjunction UIUC and Stanford). We used the Materials Project (database v2026.04.13) through mp-api, with our own key, to build aqueous Pourbaix diagrams and Li-referenced stability windows.
The Terms of Use ask us to contact you before publicly redistributing MP data, so two questions:
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Acknowledgement. We plan to cite Jain et al. (2013), name the database version, link the CC BY 4.0 licence, and list our changes: the MP2020 compatibility corrections, the aqueous-compatible adjustments, an offline rebuild of the Pourbaix entries, and an experimental offset for amorphous calcium carbonate. Is there wording you prefer?
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Redistribution. For reproducibility we would like to deposit a pinned subset of the entries we used (a few thousand records across about ten chemical systems) in a Zenodo data record, with attribution, and keep only the manifest, hashes and a rebuild script in our public repository. Is that acceptable, or would you prefer we publish only the rebuild script?
The data are used only for our own calculations and we claim no MP endorsement. Thank you.