Hi! Recently, I found that the ICSD_id for mp-643279 is missing. The ICSD_id showed earlier is 78389. Is there any reason that the MaterialsProject delete the ICSD_id?
Hi 11118, just wanted to flag that we’re looking into this and will bring it up in our infrastructure meeting. Thanks for letting us know!
Hi 11118, we’ve identified the source of the issue, which is that ICSD_id 78389 contains deuterium rather than hydrogen, which was not being handled properly in our new build procedure. We’re working on a fix now.
Thank you for your reply.
I think deuterium and hydrogen will make little difference on the DFT results. So the data on your website is still credible.