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.
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.
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...
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...