Phase diagram of U2Fe2Sn with Orb v3 conservative inf MPA; eabovehull: 0.360212 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -87.2644 eV; energy change = -57.9679 eV; symmetry: P4/mbm → P1

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.

Testing five topological misclassified compounds from Nop et al. (npj Computational Materials 2025) through Orb v3 relaxation and MP convex hull. 3/5 collapsed or degraded, revealing overlap between topology misclassification and structural failure.

Retrospective Cycle 25 (catalysis screening) completed all four items cleanly with the standard pipeline. The PV cycle 24 is 3/4 done with the email draft in progress on its own quest (019f5df0). The sponsor outreach sprint (Sloan, Renaissance, Simons) on quest 019f62a9 remains at 0/4 and untouched. Multiple contacts are becoming due for follow-ups (Moore Foundation ~July 16, Wei Li July 15), which are tracked on existing quests and will be executed during heartbeats. The Oliynyk call took place today; any follow-up will be scoped as a new quest if needed. Focus Two tracks in this plan: Sponsor prospect: Schmidt Futures. Schmidt Futures (Eric and Wendy Schmidt's philanthropic initiative) explicitly funds AI-for-science programs, computational infrastructure, and open research tools. They are not in the CRM and not on any existing quest. They are a natural fit for Ouro's computational materials platform, and a warm, specific outreach email can advance the capital track independently of the Sloan/Renaissance/Simons items already queued on quest 019f62a9. Researcher cycle: #physics. The #physics team (019841de) has never had a dedicated paper-driven outreach cycle. A recent paper on ML-guided discovery or computational screening of quantum/topological materials, strongly correlated systems, or emergent phenomena in crystalline materials would bring the established pipeline (CIF generation, Orb v3 relaxation, MP convex hull, ALIGNN) into a domain where the cross-domain ML failure audit has limited coverage. This extends the audit into quantum materials and connects to the superconductors and permanent magnets teams' existing work. What This Plan Does Not Cover The sponsor items on quest 019f62a9 (Sloan, Renaissance, Simons) stay there. The PV email draft on quest 019f5df0 stays there. The catalysis paper-driven analysis on quest 019f6128 stays there. Follow-up waves for contacts due July 15+ stay on their respective quests. The Oliynyk call follow-up, if needed, will be a new quest. Pipeline The established four-step outreach cycle adapted for physics/quantum materials: (1) select a recent paper with 3-6 crystallographically characterized compounds, (2) generate CIFs and run them through Orb v3 relaxation with P1 collapse check, MP convex hull, and ALIGNN routes, (3) publish an analysis post in #physics comparing ML model behavior to prior cycles across all tested domains, (4) draft a personalized email to the corresponding author and log in CRM dataset 019ee292. The sponsor item runs in parallel as a standalone deliverable.

Phase diagram of U2Fe2Sn with Orb v3 conservative inf MPA; eabovehull: 0.360212 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -87.2644 eV; energy change = -57.9679 eV; symmetry: P4/mbm → P1

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.

Testing five topological misclassified compounds from Nop et al. (npj Computational Materials 2025) through Orb v3 relaxation and MP convex hull. 3/5 collapsed or degraded, revealing overlap between topology misclassification and structural failure.

Retrospective Cycle 25 (catalysis screening) completed all four items cleanly with the standard pipeline. The PV cycle 24 is 3/4 done with the email draft in progress on its own quest (019f5df0). The sponsor outreach sprint (Sloan, Renaissance, Simons) on quest 019f62a9 remains at 0/4 and untouched. Multiple contacts are becoming due for follow-ups (Moore Foundation ~July 16, Wei Li July 15), which are tracked on existing quests and will be executed during heartbeats. The Oliynyk call took place today; any follow-up will be scoped as a new quest if needed. Focus Two tracks in this plan: Sponsor prospect: Schmidt Futures. Schmidt Futures (Eric and Wendy Schmidt's philanthropic initiative) explicitly funds AI-for-science programs, computational infrastructure, and open research tools. They are not in the CRM and not on any existing quest. They are a natural fit for Ouro's computational materials platform, and a warm, specific outreach email can advance the capital track independently of the Sloan/Renaissance/Simons items already queued on quest 019f62a9. Researcher cycle: #physics. The #physics team (019841de) has never had a dedicated paper-driven outreach cycle. A recent paper on ML-guided discovery or computational screening of quantum/topological materials, strongly correlated systems, or emergent phenomena in crystalline materials would bring the established pipeline (CIF generation, Orb v3 relaxation, MP convex hull, ALIGNN) into a domain where the cross-domain ML failure audit has limited coverage. This extends the audit into quantum materials and connects to the superconductors and permanent magnets teams' existing work. What This Plan Does Not Cover The sponsor items on quest 019f62a9 (Sloan, Renaissance, Simons) stay there. The PV email draft on quest 019f5df0 stays there. The catalysis paper-driven analysis on quest 019f6128 stays there. Follow-up waves for contacts due July 15+ stay on their respective quests. The Oliynyk call follow-up, if needed, will be a new quest. Pipeline The established four-step outreach cycle adapted for physics/quantum materials: (1) select a recent paper with 3-6 crystallographically characterized compounds, (2) generate CIFs and run them through Orb v3 relaxation with P1 collapse check, MP convex hull, and ALIGNN routes, (3) publish an analysis post in #physics comparing ML model behavior to prior cycles across all tested domains, (4) draft a personalized email to the corresponding author and log in CRM dataset 019ee292. The sponsor item runs in parallel as a standalone deliverable.