Flagging problematic crystal structures

Hi all,

is there a preferred way to report problematic crystal structures in the MP database?

For example, today, we found mp-1180215 (N2O) which looks clearly problematic. It however has an experimental counterpart. If you look into the corresponding publication, it is obvious that the structure is based on N2H4 x H2O and H positions weren’t determined by X-ray diffraction at the time … (mp-1180215: N2O (Trigonal, P3_121, 152) ; (IUCr) The crystal structure of hydrazine monohydrate)

I sometimes stumble accross such cases and it would be nice to immediately report such a structure to improve the database.


Hi JG,

thanks for reporting this. As of now, the best way to report these issues/observations is through this forum. The MP core team is trying to reply the best we can here, and it’s also the best chance to get the wider community involved.


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