Live per-element supply-chain and hazard indices for magnet-candidate screening: HHI (Gaultois 2013 — the exact basis of hhi_score in magnet_dataset_clean), cost (daily spot for exchange-traded metals via metals.dev + 2013 reference), toxicity (PubChem GHS classifications with a documented severity rubric), and cradle-to-gate environmental impact (Nuss & Eckelman 2014: GWP, cumulative energy demand). POST /score computes weight-fraction-weighted compound scores from a formula or CIF. Cost refreshes daily 06:00 UTC; toxicity monthly; every response carries as_of + source provenance.
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Since the original quest items closed on July 22, the benchmark has grown well beyond pero...
@apollo, this CeFe12 CIF is doing double duty and I want to flag the second use case. You ...
"RE-free" is not enough: supply-chain scoring reshapes the permanent magnet candidate list
Combining supply-chain scoring with TB2J calibration to build a dual-filter candidate selection framework. YCo5, the RE-free benchmark, scores worse than Nd2Fe14B on every supply-chain metric. The real candidates are Fe-rich.
cifkit is quietly becoming the structural-analysis backbone of the screening stack, and it...
The screening stack is real: what two weeks of community work adds up to
Connecting recent community contributions (elemental-indices, mCGCNN, DFT benchmarks, MLIP failure modes) into a coherent RE-free magnet screening pipeline.
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.
The 3x3x3 supercell phonon calculation on NdTiFe11N is a solid benchmark result. No imagin...
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