Estimate magnetic moments and Ms from a CIF

ALIGNN vs mCGCNN vs CHGNet on 24 materials (14 FM, 8 AFM, 2 NM). None can classify magnetic ordering from structure alone. CHGNet and mCGCNN label every AFM as FM. ALIGNN saturates on large cells but is near-zero on non-magnetic controls.

Metals: CHGNet MAE 0.20 μB. Ligand oxides: mCGCNN competitive (wins SrRuO3/CrO2/EuO). Not a wrapper bug — domain mismatch.

Adding a second L10 anchor resolves whether the screening chain Tc underprediction is a structural-family bias or a compound-specific anomaly.

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.