Hi,
Formation enthalpy of mp-552185 in next-gen and classical MP webpages are different. (-0.769 eV vs -0.683 eV). It looks like they both have the same anion correction. I do not know if this is a bug or if I am missing something. Could you please provide me some information about this?
Hi @Aras,
Materials Project’s database is updated several times a year with new calculations and methods, see here for example.
To see the current database version, you can see it in the footer of every page on the next-gen website (v2021.11.10 at time of writing) or on the “citing” page on the legacy website (v2020.09.08 at time of writing).
The difference in these values is because next-gen is running on a newer database version; the legacy website will be frozen on database version v2020.09.08.
As you noted, the anion correction is the same for both, but the uncorrected energy is different on the next-gen website, suggesting that in the most recent database an alternative calculation was selected as being higher-quality and the energy from that calculation was used instead.
Hope this helps,
Matt
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Dear @mkhorton ,
thank you very much for the explanation. May I ask another questıon just for clarification? If I look at the energies, they look similar to me(-5.89eV per atom). Should I look somewhere else? or Might this happen due to the changed elemental reference states?
