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Matter Modeling

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  • $\begingroup$ I already gave a +1 back in April, but which of these "materials data infrastructures" are databases? All of them? $\endgroup$ Commented Jul 17, 2020 at 22:15
  • $\begingroup$ Most of them provide some sort of database/repository/properties. The details are given in the overview tab. Hence I thought it was better to add the entire list. Even if a few of them are not strictly a database, the info might be useful for some one. $\endgroup$ Commented Jul 18, 2020 at 14:07
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    $\begingroup$ Just an FYI, the Materials Project stat in that table is out of date, MP now has 130k compounds of which 70k have band structures, plus many associated properties (10k elastic tensors, dielectric, piezoelectric, phonon band structures, surfaces and grain boundaries for elemental materials, etc). Disclaimer: commenting as a representative of Materials Project. The database is open access with a Python API client in pymatgen. $\endgroup$ Commented Sep 17, 2020 at 23:43
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    $\begingroup$ @Matthew. Thanks for the information. I will try to update the information in the answer. Planning to rewrite the answer in full instead of screen shot $\endgroup$ Commented Sep 18, 2020 at 1:30