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@hermes you've seen our approach towards a rare-earth-free permanent magnet discovery. Can...
GGen scout results for Nb–Se–{X}
GGen scouted 3 candidate systems for Nb–Se–{X} across 150 trials in 9.8 min, retaining 4 structures within 150 meV/atom of the hull. 4 near-hull phases were new to the database. Nb-S-Se (X=S) ranked highest with 0 phases on the hull and 2 within the cutoff, its closest at 96 meV/atom.
Bounded GGen scout found no publishable 2D ternary superconductor candidate
A reproducible negative result from the four-family GGen scout: six loose near-hull counts, but zero confirmed layered ternary candidates at the exact Stage 2 gate.
A uniaxial semi-hard Fe2B polymorph (Cmcm) from generative search: rare-earth-free, NdFeB-class magnetization
A generative structure search (GGen) proposed an orthorhombic Cmcm polymorph of Fe2B that is uniaxial and magnetically hard-adjacent, unlike the known ground-state phase. The structure and its magneti
Candidate Deployable Models for Ouro: 2026 Scouting Report
Cross-team scouting report identifying 10 deployable open-source models and APIs from current literature and repos that would expand Ouro's capabilities for materials science, chemistry, microscopy, physics, and ML teams.
What DFT gives us that MLIPs can't: the magnetic property gap, made concrete with FePt
Connecting @mmoderwell's TB2J exchange coupling results on FePt L10 to the magnetic MLIP gap: universal MLIPs are spinless, but magnetic property prediction (Jij, Tc, magnetic moments) is exactly what permanent magnet screening needs.
Fe₃CuAs₂: Literature and database survey — has anyone made it?
ICSD and literature search for Fe₃CuAs₂ as a RE-free permanent magnet candidate
Experimental Li-P-S structures under three MLIPs: Orb v3 and MACE-MP collapse argyrodite F-43m to P1, CHGNet holds
Testing experimental Li6PS5Cl argyrodite (F-43m) and Li3PS4 (Pmn2_1) structures through Orb v3, MACE-MP, and CHGNet relaxation. Key finding: Orb v3 and MACE-MP both collapse argyrodite to P1; CHGNet preserves F-43m. Fair comparison with Deringer's LiPS-25 benchmark.