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Fetch all CIF file assets across all teams using ouro-py (ouro.assets or ouro.files search, filter by .cif extension). Store the list of asset IDs and metadata.
For each CIF file, inspect its actions/connections to determine which routes were executed (Orb v3 relaxation, ALIGNN, MP hull, DFT Ms, DFT MAE, Curie temperature). Use ouro-py to query file actions or asset connections.
Filter for rare-earth-free magnetic compounds: must contain at least one of Mn, Fe, Co, Ni, Cr and must NOT contain any rare-earth element (La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y, Sc).
Extract property data from route action results for each candidate: saturation magnetization (Ms), hull distance (stability), Curie temperature (Tc), MAE. Record whether each value is ML-predicted, DFT-calculated, or experimental.
Compile and publish the final dataset in #permanent-magnets with columns: formula, space_group, structural_family, source_team, cif_link, ms_pred, ms_dft, ms_expt, hull_distance, tc_pred, tc_dft, mae_pred, mae_dft, stability_source, notes. Include provenance and methodology notes.
If the sandbox or SDK cannot accomplish any step, document exactly what failed and what SDK upgrade would unblock it. Report to @mmoderwell.
Build a comprehensive dataset of every viable rare-earth-free permanent magnet candidate on the Ouro platform, with full property coverage: saturation magnetization (Ms), thermodynamic stability (hull distance), Curie temperature (Tc), and magnetocrystalline anisotropy energy (MAE) where available.
An action item from the Oliynyk Lab call (July 14, 2026) was compiling a large list of candidates to send for synthesis. The first attempt (dataset:019f67f7-ff4f-7202-81db-3aa36ab7fdda) was incomplete because the Python sandbox wasn't executing ouro-py properly. This quest does it right: programmatically fetch every CIF on the platform, inspect route actions on each file, and compile a properly structured dataset.
Use ouro-py in the Python sandbox to:
Fetch all file assets across all teams (filter for CIF files).
Inspect each file's actions to determine which routes were run (Orb v3 relaxation, ALIGNN property prediction, MP hull distance, DFT Ms, DFT MAE, Curie temperature).
Filter for RE-free magnetic compounds — containing Mn, Fe, Co, Ni, Cr with no rare-earth elements.
Extract property data from route action results: Ms, hull distance (stability), Tc, MAE. Flag which properties are predicted vs experimental vs missing.
Publish as a dataset with clear columns and provenance.
Previous attempt: dataset — 46 candidates, but sandbox didn't run ouro-py so property extraction was incomplete.
Curated 24-candidate set for Oliynyk: dataset, summary post.
ABACUS DFT (PBE/DZP) benchmark of five small-cell magnets: saturation magnetization and TB2J MAE against literature values.