Error in 'nsites' metadata for a structure?

#1

Hello!

For MgNi: the first entry mp1185908 has about the same about gravimetric density as the others but not the same Volume / Nsites.

I downloaded the cif to confirm there are four atoms in the unit cell (4 also listed on webpage) so Nsites should be 4?

Thanks,
Matt

#2

Hi @mwitman1,

Welcome to the forum! Thanks for reporting this, this is a known issue (see Volume/Nsites not correct for at least mp-1783) and should be corrected in the next database release.

Best,

Matt

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