luffysolution-svg/omnischolar/materials-project

Materials Project

Follow the user's language. Keep calculated Materials Project records separate from literature evidence and experimental measurements.

1. Call materials_capabilities before choosing an operation. Credentials do not guarantee every field or optional local calculation.
2. Translate conditions into supported materials_search filters. Distinguish containing elements from an exact chemical system; bound pages, results, and fields.
3. Use materials_route_search when the requested collection has route-specific keys or filters. Do not substitute a material ID for a task ID, chemsys, substrate pair, or other declared parameter.
4. Use materials_get for a verified material ID and route. Preserve missing-field reasons.
5. Use materials_advanced only for the declared phase_diagram or xrd actions. xrd must remain local_backend_required when that backend is unavailable; never guess a remote endpoint or fabricate a pattern.
6. Use materials_export only on already retrieved records. Keep provenance, units, API/database version, warnings, and license data. CIF export writes a bounded P1 representation from validated structure data and does not claim a derived space group.
7. Compare records only after checking units, calculation method, task identity, structure, and corrections. Equal formulas do not imply equal structures, and calculated stability does not prove experimental synthesizability.

Read failures.md for failure handling. If Materials Project is not configured, report the required key and do not silently replace calculated materials data with literature snippets or CAS substance data.