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I'm looking for a fairly large (>100k) dataset of chemical compounds (and materials) that has conductivities. I've looked at PubMed, but couldn't find conductivities.
I would ideally like to avoid APIs as they have limits, and scraping is too slow. I would like to just download a file containing a compound and it's physical/chemical properties (ie. like a JSON or something).
I've looked through The Materials Project's datasets and they don't have the properties I listed above.
$\begingroup$+1 Welcome to our new community and thank you for contributing your question here! We hope to see much more of you in the future!! The first question ever asked on this site, asked for databases that offer geometries of materials, and it got some good answers. Since there's so many databases listed there, you might want to check if some of them also have the properties you're seeking (such as boiling point). That question focused on solid materials, knowing that for molecules there's the NIST database (I think: has boiling point, but not 100k).$\endgroup$
$\begingroup$Re. APIs, Materials Project's doesn't have limits and you can download 100k structures + properties in a matter of minutes. That said, you're correct that we won't have boiling/melting point, solubility, etc. -- those are expensive, not typically calculated for solid materials, although we do have aqueous stability + also conductivities for around 50k materials.$\endgroup$
$\begingroup$Yes; all materials have aqueous stability via the Pourbaix infrastructure which combines thermodynamic predictions with experimental aqueous ion energies to give a prediction of the stability of a material at a given voltage and pH. The easiest way to access this is via the "pymatgen" code. The conductivities dataset was contributed data and is available via MPContribs: contribs.materialsproject.org/projects/carrier_transport$\endgroup$
$\begingroup$@explodingfilms101 I'm growing concern for how long this question is taking to get an answer, and would like to help you to get to the bottom of that. First of all, in your response to my comment on 28 Jun, what specifically do you need that wasn't in any of those answers? You asked for a lot of things, such as boiling point, conductivity, solubility, and I think you can't expect a database to have all of what you're seeking, but do any of those databases at least have one of the things you're seeking?$\endgroup$
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