mat-db-optimade

mat-db-optimade is a skill for Claude Code, Codex from learningmatter-mit/AtomisticSkills. It costs 29 tokens per session (607 once invoked), scanned A, original, MIT.

Query the Crystallography Open Database (COD) and other OPTIMADE-compliant databases for experimental crystal structures.

Skill for Claude CodeCodex

Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

agentmods
npx agentmods add skills/learningmatter-mit/atomisticskills/mat-db-optimade
Any agent
npx skills add learningmatter-mit/AtomisticSkills --skill mat-db-optimade
Clone the repo
git clone --depth 1 https://github.com/learningmatter-mit/AtomisticSkills

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for mat-db-optimade

README.md
[![agentmods](https://agentmods.dev/badge/skills/learningmatter-mit/atomisticskills/mat-db-optimade.svg)](https://agentmods.dev/skills/learningmatter-mit/atomisticskills/mat-db-optimade)
Your own site
<a href="https://agentmods.dev/skills/learningmatter-mit/atomisticskills/mat-db-optimade"><img src="https://agentmods.dev/badge/skills/learningmatter-mit/atomisticskills/mat-db-optimade.svg" alt="Measured on agentmods" height="20"></a>
Per session 29 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 607 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. Scan, not verified.
Origin unknown No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5 $0.00029 $0.00607
Opus 5 $0.00015 $0.00303
Sonnet 5 $0.00006 $0.00121
Haiku 4.5 $0.00003 $0.00061

Measured today against content hash 9fd0289f6f9b, method: parsed. Prices are Anthropic first-party input rates as of 2026-08-30, from the pricing page.

Security

Grade A, and why

mat-db-optimade scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured today.

The scan reads SKILL.md. This mod also ships 1 executable file (scripts/query_optimade.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

.agents/skills/mat-db-optimade/SKILL.md · 53 lines

How it starts

The opening of the file, as written. The whole thing — 53 lines — stays where its author put it; the contents beside it link to each section on GitHub.

mat-db-optimade

Goal

To query experimental crystal structures (e.g. from the Crystallography Open Database - COD, NOMAD) using the standardized REST API provided by OPTIMADE, and to extract the structural data and metadata in a JSON format.

Instructions

Step 1. Querying an OPTIMADE Database

Use the query_optimade.py script to fetch structure data based on standard OPTIMADE query language filters.

# Env: base-agent
python .agents/skills/mat-db-optimade/scripts/query_optimade.py \
    results.json \
    --filter 'elements HAS ALL "Na", "Cl"' \
    --provider cod \
    --max_results 5

Parameters:

  • output: Path to the output JSON file where results will be stored.
  • --filter: The OPTIMADE filter string. (e.g., elements HAS ALL "O", "Ti").
  • --provider: Comma-separated list of database providers. Defaults to cod.
  • --max_results: Maximum number of structures to pull per provider. Defaults to 10.

Supported Database Providers (Common short IDs)

When using the --provider parameter, you can provide the following short string identifiers for well-known databases:

  • codCrystallography Open Database: The largest open-access collection of experimentally determined crystal structures.
  • nmdNOMAD: Comprehensive repository of both theoretical methods and experimental configurations.
  • aflowAFLOW: Automatic-FLOW Computational Materials Data Repository.
  • mpMaterials Project: Well-known theoretical stable/unstable materials repository based on DFT.
  • oqmdOpen Quantum Materials Database: High-throughput DFT database of thermodynamic and structural properties.
  • jarvisJARVIS: Joint Automated Repository for Various Integrated Simulations.

Constraints

  • Environments: The scripts require the base-agent Conda environment.
  • Provider Status: Sometimes specific providers (like Aflow or NOMAD) may experience API downtime. If a provider fails, the optimade client will log warnings.

Read the full file on GitHub · 53 lines

Files

What ships with it

7 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. today First seen · 53 lines · 29 tokens per session scan A 9fd0289f6f9b

Subscribe to this mod's changes

mat-db-optimade is a skill published in the GitHub repository learningmatter-mit/AtomisticSkills (158 stars, last pushed today), licensed MIT. It adds 29 tokens to every session and 607 once invoked, about $0.0001 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-09-03.

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