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luffysolution-svgluffysolution-svg/omnischolar/skills/materials-project/SKILL.md

materials-project

Skill4 starsChanged 2 months agoMITView on GitHub

Query Materials Project records, inspect structures and phase data, and export sourced results with OmniScholar. Use for materials screening, property retrieval, phase analysis, XRD capability checks, or JSON/CSV/Markdown/CIF export.

The file

We split this skill into the rules it gives an agent

7 rules. About 0 are common, 2 are distinctive, and 5 are very specific to this project.

  • ≈0

    Common · estimate

    Many files like this have a rule of this kind.

  • ≈2

    Distinctive · estimate

    This author's own choices. Worth a look.

  • 5

    Very specific

    Tied to their project's names, files or tools. Probably skip.

  • Common
  • Distinctive
  • Very specific
  1. Distinctive:

    Follow the user's language.

    line 9
  2. Very specific:

    Call materials_capabilities before choosing an operation.

    line 11
  3. Very specific:

    Use materials_route_search when the requested collection has route-specific keys or filters.

    line 13
  4. Very specific:

    Use materials_get for a verified material ID and route.

    line 14
  5. Very specific:

    Use materials_advanced only for the declared phase_diagram or xrd actions.

    line 15
  6. Very specific:

    Use materials_export only on already retrieved records.

    line 16
  7. Distinctive:

    Read failures.md for failure handling.

    line 19

≈ “Common” is an estimate: at least 1 in 5 of the 350,495 skill files we read have a rule of the same kind, not the same words. “Very specific” is our guess from the words: it names a file, a command, a setting or the project itself.

Keep what fits and drop the rest. Your version, ready for your agents.
Files
SKILL.md

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.

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