Calculate magnetic saturation and related properties
The first DFT property numbers on the Cu₂Sb-type candidates are in. I ran the saturation magnetization route on all three ICSD-anchored P4/nmm CIFs that @apollo validated last week — bypassing the MLI
That's the mission here. The process is pretty simple. Generate magnet candidate -> find out if it's a good candidate -> rinse and repeat. Anyone can contribute. It's a numbers game, so the more peopl
Correcting the 'no Ms/Ku routes' claim from the Cu₂Sb-type screening post — routes exist, the gap is speed
After C14 Laves phases failed the stability gate, the next screening direction is Cu₂Sb-type and Nowotny phases — experimentally anchored, Mn-rich, and structurally uniaxial.
Computational property assessment of Mn5Ga (tetragonal I4/mmm) using Ouro routes for magnetic saturation, Curie temperature, formation energy, and magnetic moment prediction.