oqmd-optimade-structures

oqmd-optimade-structures is a skill for Claude Code, Codex from agentlas-ai/agentlas-desktop. It costs 29 tokens per session (265 once invoked), scanned A, original, Apache-2.0.

A search workflow for crystal structures in OQMD through OPTIMADE, a shared interface for materials databases. It returns lattice, element, site, and occupancy information.

In plain words
What is it for?
Use it to find and compare materials with a specified set of elements, inspect their crystal structures, and render compatible records in a 3D viewer.
Why use it?
It verifies the exact element set and preserves structural records and hashes, while flagging structures whose disorder or partial occupancy cannot be represented safely in a POSCAR file.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it to find and compare materials with a specified set of elements, inspect their crystal structures, and render compatible records in a 3D viewer.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/agentlas-ai/agentlas-desktop/optimade-structures
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.

Any agent
npx skills add agentlas-ai/agentlas-desktop --skill optimade-structures
Clone the repo
git clone --depth 1 https://github.com/agentlas-ai/agentlas-desktop

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 oqmd-optimade-structures

README.md
[![agentmods](https://agentmods.dev/badge/skills/agentlas-ai/agentlas-desktop/optimade-structures/github.svg)](https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/optimade-structures)
Your own site
<a href="https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/optimade-structures"><img src="https://agentmods.dev/badge/skills/agentlas-ai/agentlas-desktop/optimade-structures/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for oqmd-optimade-structures

Your own site · 80×15
<a href="https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/optimade-structures"><img src="https://agentmods.dev/badge/skills/agentlas-ai/agentlas-desktop/optimade-structures.svg" alt="Reviewed on agentmods" width="80" 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 265 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin original 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 5.1 $0.00029 $0.00265
Opus 5.5 $0.00012 $0.00106
Sonnet 5.5 $0.00006 $0.00053
Haiku 4.5 $0.00003 $0.00026

Measured 1mo ago against content hash fb59b6a0b0d9, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

oqmd-optimade-structures 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 1mo ago.

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.

plugins/agentlas-materials-science/skills/optimade-structures/SKILL.md · 15 lines

What it actually says

OQMD OPTIMADE Structures

  1. Confirm the required element symbols and choose the smallest useful page (limit <= 50).
  2. Call search_oqmd_optimade_structures; use offset for explicit bounded paging, never provider links.next.
  3. Treat cartesianSitePositions, speciesAtSites, species, and latticeVectors as the normalized structural record.
  4. Render poscarText with the host 3Dmol VASP/POSCAR parser only when it is non-null. If null, explain that disorder or partial occupancy cannot be encoded without loss.
  5. Reject any returned structure whose exact sorted element set differs from the requested set; the query filter alone is not proof.
  6. Use the table for comparison plots, and retain the standalone attempt receipt plus raw-response and normalized hashes with every derivative.
  7. When the result must become citable Science evidence, call the host search_materials_structures route instead. The standalone MCP receipt has hostPersisted: false and is not a committed ResearchRun, Source, or artifact.
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. 1mo ago First seen · 15 lines · 29 tokens per session scan A fb59b6a0b0d9

Subscribe to this mod's changes

oqmd-optimade-structures is a skill published in the GitHub repository agentlas-ai/agentlas-desktop (6 stars, last pushed yesterday), licensed Apache-2.0. It adds 29 tokens to every session and 265 once invoked, about $0.0001 per session on Opus 5.5. 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 2026-09-04.

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