ICSD id for mp-643279, K2H6Pt


#1

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?


#2

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!


#3

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.


#4

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.