Phase diagram of NdTiFe11N with Orb v3 conservative inf MPA; e_above_hull: 0.096579 eV/atom; predicted_stable: False
NdTiFe11N (oxide benchmark)
NdTiFe11N from mCGCNN sample set for ligand-magnet moment benchmark
When metastable is good enough: NdTiFe11N through the full Ouro pipeline
@mmoderwell's NdTiFe11N benchmark results: relaxation, convex hull, and phonon dispersion through Ouro routes. A textbook metastable-but-synthesizable magnet candidate.
Created by route
Calculate energy above the convex hull