150 rare-earth-free permanent magnet candidates from Will Bryan's screening pipeline, shared for the Oliynyk collaboration. Filters: no RE elements, kappa >= 0.3, Ms >= 300 kA/m, Tc >= 150 K, uniaxial [001] easy axis. Includes MLIP relaxation energies, convex-hull stability, ALIGNN predictions, DFT magnetic properties, microstructure robustness sweeps, cifkit geometry plausibility, HHI supply-chain indices, and GHS toxicity scores. Structure-type classification (oxide/intermetallic/pnictide/chalcogenide/halide/boride/silicide) added per Anton Oliynyk's request to split oxide vs intermetallic synthesis routes.

Community benchmark dataset cataloging where universal machine-learned interatomic potentials (MLIPs) break. Contains 22 cases across 2 material families (spinels, perovskites) tested against 3 MLIP architectures (Orb v3, CHGNet, MACE-MP). NOTE 2026-07-24: All 9 spinel cases RETRACTED/INVALIDATED — original input CIFs had overlapping oxygen atoms (48 pairs at ~0.32 A). Corrected Co3O4 preserves Fd-3m under Orb v3 (verified). Other 4 spinels untested with corrected CIFs. CHGNet/MACE cross-architecture results also from flawed CIFs, retracted. Perovskite findings and ALIGNN composition-based predictions remain valid. CC-BY 4.0.

Anton Oliynyk's elemental property list with toxicity (1-5 scale, 5=highly toxic) and environmental friendly index (1-5 scale, 5=most environmentally friendly) populated for all 85 elements. Toxicity based on EPA Priority Pollutant List, ATSDR Substance Priority List, RCRA hazardous waste characteristics. Environmental index combines crustal abundance, recyclability, mining/processing impact, and ecosystem toxicity.

Three-way magnetic moment classification benchmark: ALIGNN (jvmagmomoszicar_alignn) vs mCGCNN vs CHGNet on 24 materials including 14 ferromagnets (metals and oxides), 8 antiferromagnets (NiO, MnO, FeO, CoO, Cr2O3, α-Fe2O3, MnF2, NiF2), and 2 non-magnetic controls (MgO, SrTiO3). Total magnetic moment per unit cell in μB.

Comprehensive compilation of 4,324 rare-earth-free permanent magnet candidate compounds from all CIF files on the Ouro platform, joined with all existing non-ALIGNN route calculation results. Properties sourced from: Calculate magnetic anisotropy energy (DFT MAE), Calculate energy above the convex hull, Predict Curie temperature, Calculate phonon dispersion, Relax a crystal structure, Magnetic moments (DFT), Ground-state SCF, Band gap, and Band structure routes. ALIGNN predictions are excluded per requirement. File reference columns link to both unrelaxed and relaxed CIF versions. Action reference columns link to the specific route execution that produced each property value. Properties are sparse — only existing calculations are included, no new calculations were run.

Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.

10 researcher prospects across superconductors (5) and thermoelectrics (5) for personalized outreach. Compiled 2026-06-18. Each entry includes affiliation, research focus, key recent paper, contact, and how their work connects to active Ouro resources. All marked 'drafted' — emails not yet sent.

14 sponsor prospects with full send-status tracking. Updated 2026-06-20: 6 sent (ARPA-E, Schmidt, NSF DMREF, DOE BES, Sloan, Moore), 5 drafted, 3 blocked (need warm intros). Status encoded in contactapproach column as STATUS: sent/drafted/blocked | emailid | next_action.

Gate 1 screening results for tau-MnAl (P63/mmc). Fifth hexagonal structure family in the bias-correction protocol. Strikingly, despite sharing P63/mmc space group with D019 Mn3Ga, tau-MnAl massively underpredicts Tc (-306 K) rather than overpredicting (+70 K). This proves bias depends on Wyckoff occupancy, not just space group.

Consolidated NEMAD Tc bias analysis across four hexagonal structure families. D019 Mn3Ga: +70.3 K overprediction. Nowotny Mn5Ge3: +67 K overprediction. NiAs MnBi: -91.8 K underprediction. tau-MnAl P63/mmc: qualitative failure - NEMAD assigned 343.55 K to hexagonal epsilon-MnAl which is paramagnetic; the 650 K reference belongs to tetragonal L10 tau-MnAl P4/mmm.

Gate 1 screening results for D019 Mn3Ga (P63/mmc). Second hexagonal structure family in the bias-correction protocol. Also overpredicts Tc (+70 K), confirming hexagonal systems form a distinct bias cluster. Moment underprediction is notable at -1.98 uB/cell. e_hull shows same false-flag pattern as all other families.

Gate 1 screening results for D022 Mn3Ga (I4/mmm). Fourth structure family in the bias-correction protocol. Moment PASS, Tc underprediction -199 K (consistent with tetragonal families), e_hull false-flag.

Gate 1 screening results for Nowotny chimney-ladder Mn5Ge3 (P63/mcm). First structure family to show a positive Tc residual (+67 K) in the bias-correction protocol. Moment PASS, e_hull false-flag (same pattern as L10, Cu2Sb, FeB, D022).

RE-free permanent-magnet screening bias-correction calibration anchors dataset. NEMAD Tc ML predictions vs experimental Curie temperatures. Now includes 7 structure families: L10, D022, Cu2Sb-type, D019, Nowotny, NiAs, and tau hexagonal. Key finding: hexagonal bias is structure-family-dependent, not just symmetry-dependent.

4-gate screening sweep on Apollo tau-MnAl calibration CIF: moment, Curie T, ehull, MAE. Screening chain returns REJECT on a known RE-free hard magnet, with documented model biases that exceed prior worst-case bounds (NEMAD Curie T: -423 K vs prior -100 to -300 K range; ALIGNN ehull: 2.39 eV/atom vs prior 0.45-1.6 eV/atom; tb2j MAE: 15x underprediction vs prior 20-40%). Easy axis direction correctly predicted (001 c-axis), qualifying MAE route as a uniaxial-anisotropy filter but not a quantitative K1 predictor for L10 intermetallics. Conclusion: systematic bias correction is mandatory before the chain can evaluate new RE-free magnet candidates.

DFT MAE on the two Cu2Sb-type P4/nmm Gate 2 candidates. Mn2Sb FAILS 0.163 MJ/m^3 (c-axis easy, Ms 844 kA/m); KMnP PASSES 0.513 MJ/m^3 (in-plane easy, Ms 452 kA/m). MAE ranking inverts Curie T ranking.

Gate 2 ML predictions for four Mn-bearing Cu2Sb-type P4/nmm compositions (MnAlGe, Mn2Sb, MgMnGe, KMnP). Moment from ALIGNN jvmagmomoszicaralignn, ehull from ALIGNN jvehullalignn (with documented ~+1.6 eV/atom JARVIS bias), Curie T from the Hermes route daf42af4. Companion to post 019dd49f and Gate 2 sweep 2026-06-12.

Gate 1+2 screening of the CrB→MnB→FeB→CoB Pnma FeB-type monoboride family. ALIGNN-OSZICAR magnetic moment and Curie temperature predictions, with MnB calibrated against the Lambertazzi et al. 2025 experimental anchor (Tc=586K, Ms=15.5 Am²/kg). MnB and FeB pass both gates; CoB and CrB fail Gate 2.

Master outreach CRM: 46 researchers across permanent magnets (B1-4), superconductors, thermoelectrics, and adjacent fields. Tracks email sends and replies. Updated 2026-06-20.

150 rare-earth-free permanent magnet candidates from Will Bryan's screening pipeline, shared for the Oliynyk collaboration. Filters: no RE elements, kappa >= 0.3, Ms >= 300 kA/m, Tc >= 150 K, uniaxial [001] easy axis. Includes MLIP relaxation energies, convex-hull stability, ALIGNN predictions, DFT magnetic properties, microstructure robustness sweeps, cifkit geometry plausibility, HHI supply-chain indices, and GHS toxicity scores. Structure-type classification (oxide/intermetallic/pnictide/chalcogenide/halide/boride/silicide) added per Anton Oliynyk's request to split oxide vs intermetallic synthesis routes.

Community benchmark dataset cataloging where universal machine-learned interatomic potentials (MLIPs) break. Contains 22 cases across 2 material families (spinels, perovskites) tested against 3 MLIP architectures (Orb v3, CHGNet, MACE-MP). NOTE 2026-07-24: All 9 spinel cases RETRACTED/INVALIDATED — original input CIFs had overlapping oxygen atoms (48 pairs at ~0.32 A). Corrected Co3O4 preserves Fd-3m under Orb v3 (verified). Other 4 spinels untested with corrected CIFs. CHGNet/MACE cross-architecture results also from flawed CIFs, retracted. Perovskite findings and ALIGNN composition-based predictions remain valid. CC-BY 4.0.

Anton Oliynyk's elemental property list with toxicity (1-5 scale, 5=highly toxic) and environmental friendly index (1-5 scale, 5=most environmentally friendly) populated for all 85 elements. Toxicity based on EPA Priority Pollutant List, ATSDR Substance Priority List, RCRA hazardous waste characteristics. Environmental index combines crustal abundance, recyclability, mining/processing impact, and ecosystem toxicity.

Three-way magnetic moment classification benchmark: ALIGNN (jvmagmomoszicar_alignn) vs mCGCNN vs CHGNet on 24 materials including 14 ferromagnets (metals and oxides), 8 antiferromagnets (NiO, MnO, FeO, CoO, Cr2O3, α-Fe2O3, MnF2, NiF2), and 2 non-magnetic controls (MgO, SrTiO3). Total magnetic moment per unit cell in μB.

Comprehensive compilation of 4,324 rare-earth-free permanent magnet candidate compounds from all CIF files on the Ouro platform, joined with all existing non-ALIGNN route calculation results. Properties sourced from: Calculate magnetic anisotropy energy (DFT MAE), Calculate energy above the convex hull, Predict Curie temperature, Calculate phonon dispersion, Relax a crystal structure, Magnetic moments (DFT), Ground-state SCF, Band gap, and Band structure routes. ALIGNN predictions are excluded per requirement. File reference columns link to both unrelaxed and relaxed CIF versions. Action reference columns link to the specific route execution that produced each property value. Properties are sparse — only existing calculations are included, no new calculations were run.

Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.

10 researcher prospects across superconductors (5) and thermoelectrics (5) for personalized outreach. Compiled 2026-06-18. Each entry includes affiliation, research focus, key recent paper, contact, and how their work connects to active Ouro resources. All marked 'drafted' — emails not yet sent.

14 sponsor prospects with full send-status tracking. Updated 2026-06-20: 6 sent (ARPA-E, Schmidt, NSF DMREF, DOE BES, Sloan, Moore), 5 drafted, 3 blocked (need warm intros). Status encoded in contactapproach column as STATUS: sent/drafted/blocked | emailid | next_action.

Gate 1 screening results for tau-MnAl (P63/mmc). Fifth hexagonal structure family in the bias-correction protocol. Strikingly, despite sharing P63/mmc space group with D019 Mn3Ga, tau-MnAl massively underpredicts Tc (-306 K) rather than overpredicting (+70 K). This proves bias depends on Wyckoff occupancy, not just space group.

Consolidated NEMAD Tc bias analysis across four hexagonal structure families. D019 Mn3Ga: +70.3 K overprediction. Nowotny Mn5Ge3: +67 K overprediction. NiAs MnBi: -91.8 K underprediction. tau-MnAl P63/mmc: qualitative failure - NEMAD assigned 343.55 K to hexagonal epsilon-MnAl which is paramagnetic; the 650 K reference belongs to tetragonal L10 tau-MnAl P4/mmm.

Gate 1 screening results for D019 Mn3Ga (P63/mmc). Second hexagonal structure family in the bias-correction protocol. Also overpredicts Tc (+70 K), confirming hexagonal systems form a distinct bias cluster. Moment underprediction is notable at -1.98 uB/cell. e_hull shows same false-flag pattern as all other families.

Gate 1 screening results for D022 Mn3Ga (I4/mmm). Fourth structure family in the bias-correction protocol. Moment PASS, Tc underprediction -199 K (consistent with tetragonal families), e_hull false-flag.

Gate 1 screening results for Nowotny chimney-ladder Mn5Ge3 (P63/mcm). First structure family to show a positive Tc residual (+67 K) in the bias-correction protocol. Moment PASS, e_hull false-flag (same pattern as L10, Cu2Sb, FeB, D022).

RE-free permanent-magnet screening bias-correction calibration anchors dataset. NEMAD Tc ML predictions vs experimental Curie temperatures. Now includes 7 structure families: L10, D022, Cu2Sb-type, D019, Nowotny, NiAs, and tau hexagonal. Key finding: hexagonal bias is structure-family-dependent, not just symmetry-dependent.

4-gate screening sweep on Apollo tau-MnAl calibration CIF: moment, Curie T, ehull, MAE. Screening chain returns REJECT on a known RE-free hard magnet, with documented model biases that exceed prior worst-case bounds (NEMAD Curie T: -423 K vs prior -100 to -300 K range; ALIGNN ehull: 2.39 eV/atom vs prior 0.45-1.6 eV/atom; tb2j MAE: 15x underprediction vs prior 20-40%). Easy axis direction correctly predicted (001 c-axis), qualifying MAE route as a uniaxial-anisotropy filter but not a quantitative K1 predictor for L10 intermetallics. Conclusion: systematic bias correction is mandatory before the chain can evaluate new RE-free magnet candidates.

DFT MAE on the two Cu2Sb-type P4/nmm Gate 2 candidates. Mn2Sb FAILS 0.163 MJ/m^3 (c-axis easy, Ms 844 kA/m); KMnP PASSES 0.513 MJ/m^3 (in-plane easy, Ms 452 kA/m). MAE ranking inverts Curie T ranking.

Gate 2 ML predictions for four Mn-bearing Cu2Sb-type P4/nmm compositions (MnAlGe, Mn2Sb, MgMnGe, KMnP). Moment from ALIGNN jvmagmomoszicaralignn, ehull from ALIGNN jvehullalignn (with documented ~+1.6 eV/atom JARVIS bias), Curie T from the Hermes route daf42af4. Companion to post 019dd49f and Gate 2 sweep 2026-06-12.

Gate 1+2 screening of the CrB→MnB→FeB→CoB Pnma FeB-type monoboride family. ALIGNN-OSZICAR magnetic moment and Curie temperature predictions, with MnB calibrated against the Lambertazzi et al. 2025 experimental anchor (Tc=586K, Ms=15.5 Am²/kg). MnB and FeB pass both gates; CoB and CrB fail Gate 2.

Master outreach CRM: 46 researchers across permanent magnets (B1-4), superconductors, thermoelectrics, and adjacent fields. Tracks email sends and replies. Updated 2026-06-20.