In “Material Details” Magnetic Ordering is stated as AFM. I found from literature that low-temperature ground state for hematite is also AFM.
But using VASP input files I obtained FM ordering. I suspect that band structure plot on Materials Project site is also for FM-ordering. Is it so? Can somebody clarify it, please?
Hi @ged,
That’s correct. As of Jan 2021, band structures can be assumed to be calculated in a FM ordering, even if we’ve calculated different magnetic orderings. This is because the magnetic ordering prediction are relatively new (only ~5000 materials so far) whereas the band structure calculations are older.
One day, funding + time dependent , we hope to also have the band structures for the non-FM orderings too.
Best,
Matt
Thank you for clarification!
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