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get_species_thermo

Calculate thermodynamic properties for a chemical species by first searching GRI-Mech 3.0, then falling back to the NASA Gas Database for broader coverage.

Instructions

Calculate thermodynamic properties for a specific species with automatic database fallback.

Searches GRI-Mech 3.0 first (fast, common combustion species), then falls back to the NASA Gas Database for broader coverage (~1000+ species including noble gases, metals, etc.).

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
paramsYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior3/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

No annotations are provided, so the description bears the full burden. It discloses the fallback behavior and database coverage (~1000+ species including noble gases, metals), but does not specify what thermodynamic properties are calculated (e.g., enthalpy, entropy) or behavior on species not found. Output schema may cover return values, but the description could be clearer about edge cases.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness4/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is concise with two brief paragraphs; the first sentence captures the essential purpose, and the second provides operational detail. It is well-structured and front-loaded, though it could be slightly more terse without losing clarity.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness4/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

Given the tool's complexity (thermodynamic calculations with fallback) and the presence of an output schema, the description covers the main workflow adequately. It mentions the databases and their scope, but does not specify the temperature range validity or list example output properties, which would improve completeness for a scientific tool.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters3/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

The input schema already provides descriptions for each parameter, giving examples and default values. The tool description adds context about the fallback databases but does not enhance parameter meaning beyond what the schema offers. With schema coverage effectively high (all parameters documented), the description adds marginal semantic value, placing it at baseline 3.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the tool calculates thermodynamic properties for a specific species and highlights the automatic database fallback behavior. It uses specific verbs ('Calculate') and identifies the resource ('thermodynamic properties for a specific species'), distinguishing it from siblings like 'get_species_properties' which might return different property types.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines4/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

The description provides context on when to use this tool: for species not in GRI-Mech 3.0, it falls back to a broader database. It implies use cases (common combustion species vs. exotic species like metals), but does not explicitly state when not to use it or list alternatives, though the fallback mechanism gives some guidance.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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