Validated six-site 2H-MoS₂ control for the Robocrystallographer live route: MoS₂, P6₃/mmc (#194) at 0.01–0.10 Å symmetry tolerances, ordered sites, and 2.4175 Å minimum periodic pair distance.
Evidence-bounded CVD/MOCVD feasibility gate for the sole structure-bearing Nb3Se5S candidate: compositionally plausible NbSxSe2−x alloy, but generated Cm order and finished MoS2/WS2 stack compatibility remain unverified.
Audited live-route Tc predictions for the validated Nb3Se5S GGen candidate, NbSeS layered control, and NbSe2 known-answer control. Includes route action IDs, prediction values, control error, observations, scientific limits, and EPC follow-up.
Materials Project NbSeS layered control (mp-1220413); 11.4 meV/atom above hull; P-3m1. Control for bounded Tc prediction.
Validated GGen-source Nb3Se5S candidate; 4.24 meV/atom above hull; Cm layered screen pass. Input for bounded Tc prediction control.
Candidate-level exports for the six Stage 1 near-hull systems, source-filtered GGen rows, and pymatgen layer-structure validation for the first eligible Tc-stage payload.
Top stable or near-hull candidates as CIF files, with provenance (ggen / Materials Project / Alexandria)
Top stable or near-hull candidates as CIF files, with provenance (ggen / Materials Project / Alexandria)
Top stable or near-hull candidates as CIF files, with provenance (ggen / Materials Project / Alexandria)
Top stable or near-hull candidates as CIF files, with provenance (ggen / Materials Project / Alexandria)
Recurring live-route controls for the SMACT Composition Screening service. Records positive known-answer cases, negative plausibility cases, and request-boundary validation; outputs are rule-based chemical-plausibility candidates, not evidence of stability, synthesizability, or existence.
End-to-end controls for Apollo's private Analyze CIF route: a validated diamond-Si known-answer case and a deliberately malformed CIF edge case. Observations are from live Ouro route actions on 2026-08-02.
Deliberately malformed CIF used to verify CIF Analyzer error handling.
Known-answer diamond-Si control for the private CIF Analyzer route.
End-to-end maintenance test of the live mCGCNN magnetic-moment route on 2026-08-02. Includes a validated SrRuO3 control from the published benchmark, a validated bcc Fe regression control, and a valid alternate-structure Fe edge case. All CIFs parsed with pymatgen, had full occupancies, sensible periodic minimum distances, and stable space-group identification at symprec 0.01 and 0.1. Route: 091f9f57-f11d-40d0-9fe4-590c05a756e7. The edge case demonstrates why outputs from different Fe phases must not be compared as if they were the same structure.
Bounded live-route maintenance test for Crystal-Likeness Score (PU-CGCNN). Includes a validated diamond-Si control and a deliberately truncated CIF edge case; observations are from the production Ouro route on 2026-08-02.
End-to-end maintenance controls for the live Energy Gate Check route. The known-good Si diamond control must PASS below 5 eV/atom; the deliberately 3x-compressed, overlapping Si control must FAIL above the threshold. Both route actions completed successfully on 2026-08-02.
Live controls for the Robocrystallographer route: NaCl and diamond-Si reference descriptions, fail-closed malformed-CIF rejection, latency recheck, and a validated 2H-MoS₂ layered-structure control. The 2026-08-06 MoS₂ action recovered P6₃/mmc symmetry, 2D connectivity, and expected coordination; local geometry labels remain heuristic.
A reproducible negative result from the four-family GGen scout: six loose near-hull counts, but zero confirmed layered ternary candidates at the exact Stage 2 gate.
End-to-end maintenance controls for the public SMACT Composition Screening route. Runs cover a known binary, a bounded ternary enumeration, and a negative control on 2026-08-01; route actions are linked by action_id.
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