Converged Mulliken magnetic moments (FM: Sm spin +4.84 μB parallel to Co; net 13.05 μB/cell). PBE, 150 Ry, mixing 0.2, smearing 0.05 eV. Metastable state; see the FiM run.
Created by route
Magnetic moments
SmCo5 (mp-1429, P6/mmm)
Materials Project GGA structure of CaCu5-type SmCo5, unmodified. Used to check the new 4f-in-valence Sm basis on Ouro DFT (Sm spin vs Co spin ordering).
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/materials/thermo/ehull
/magnetism/curie-temperature