Mp-1757 DyFe2 Magnetic order

Materials Project
1

Dear experts
I would like to ask about DyFe2 mp-1757 Magnetic order according to material project
Final Magnetic Moment 0.002 μB
Magnetic Ordering NM
Does NM means none magnetic May be I am ,missing something here because
this reference https://aip.scitation.org/doi/10.1063/1.1725273
give a different value I hope I can get guidance regarding this matter

Thank you in advance

2

Hi @sherif_Yehia,

Yes, this is correct, our calculation converged to a non-magnetic structure. This does not mean that the real material is non-magnetic, f-block elements and Dy in particular are difficult to calculate reliably.

Best,

Matt

3

Hi mkhorton

Thank you for the quick reply. I would be grateful if you could kindly inform me whether you have done calculation on the magnetic status of crystalline DyFe2 , in particular whether the magnetic phase of this compound , is more stable ,i.e. is energetically more favourable than the non-magnetic phase.
Best regards,

4

Hi Sherif,

If there is no magnetic phase in MP then we haven’t computed it yet. We do have plans for a mass set of calculations to identify ground state magnetic orderings for all MP compounds but are we’re still identifying the computational resources to do so.

5

We do have plans for a mass set of calculations to identify ground state magnetic orderings for all MP compounds

Just a quick note, we do have plans for this, but we’ll be starting with magnetic materials with magnetic transition metal elements only, not f-block.