Energy above hull discrepancy for LLZO

I’m wondering how the energy above hull is calculated for a particular entry, Li7La3Zr2O12.
Currently on the MP website, the Ehull for LLZO is listed as 0.037 eV/atom. When I use the API (generating a phase diagram with LLZO and all associated Li, La, Zr, and O entries and their combinations), I get the Ehull for LLZO (using mp-942733) to be 0.00665 eV/atom (although the phase equilibria for the decomposition is the same as that listed on the website). I used the compatibility module to add MP corrections to LLZO and to each of the entries in the phase diagram, but the result was the same.
This discrepancy seems to affect other metastable compositions (e.g. LiNiO2) as well.
How is the MP Ehull obtained?


Hi @adelaiden,

The API is correct, there looks to be a bug in the latest database release this past week. This is related to sandboxing, or how the Materials Project separates calculations that are public from those that are not yet public. @shyamd will be updating with a fix and more details in due course.



This should now be fixed, we’re still conducting a post-mortem on the issue.