Difference of energies in Computed entries for new API key


I have a question about the new API. I noticed that the value of Ehull for the old API differs from the new API. Calling “mpr.get_entries_in_chemsys()” I see the energy of the entries is different if compared with the old API. Even with “compatible_only=False” in the argument, I see the energy is different. Does anyone know where the difference in energy is coming from. Even “MaterialsProject2020Compatibility” is not updated. My analysis is at the GGA or GGA+U level of theory.


Hi @Asif-Iqbal-Bhatti, there are some differences in how energy corrections are applied between the old API data, and the latest release. You can reference the database release notes found linked in this thread for more information: Inconsistent hull energies between legacy/new MP and within new MP

– Jason

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