Magnetic Ordering Search

Hi,
I need to do a search for materials with ferromagnetic ordering. Is it possible to add this as one of the search parameters?
Thanks in advance,
BS

Hi @Shortall_Brian,

It’s possible to query on magnetic_type, e.g. use {'magnetic_type':'FM'} in the materials explorer search or via an MP API query in pymatgen.

Note that this is not a prediction that a given material is ferromagnetic, but rather gives calculations where a material has been calculated with a ferromagnetic ordering.

Best,

Matt

1 Like

Hi @mkhorton,

Just to clarify, is this to say that the lowest energy magnetic configuration for this material is ferromagnetic, or that the calculations were performed with ferromagnetic ordering? I realize they’re not mutually exclusive, but I’m just looking to clarify the wording of your response a bit!

Best,
Vanessa

Hi @Vanessa_Meschke, welcome!

Yes, you’re correct that these are not mutually exclusive.

Historically, materials in Materials Project were only been calculated with a ferromagnetic order initialized by default (some of these will relax to a non-FM order).

However, about a year or so ago we started explicitly calculating multiple magnetic orderings for a given material (see method here). We have now predicted magnetic orderings for about 5000 materials, primarily transition metal oxides, with more being calculated on a continual basis.

There currently isn’t an easy way to distinguish these two cases with the API or via search. We’ll be added an additional key to make explicitly clear which materials we have these predictions for. For now, it’s a fair assumption that if you see a magnetic material that has a lot of associated calculations with it (see the footer of the material details page), it probably means it’s gone through this workflow.

Hope this helps! Happy to answer additional questions.

Best,

Matt

Perfect, thanks so much Matt! That does clear it up!