pymatgen-materials

pymatgen-materials is a skill for Claude Code, Codex from xjtulyc/awesome-rosetta-skills. It costs 42 tokens per session (6,377 once invoked), scanned A, original, no licence file.

A Python toolkit for studying crystal structures and materials data. It supports structure manipulation, symmetry analysis, phase diagrams, and data such as band gaps and formation energies from the Materials Project.

In plain words
What is it for?
Use it to inspect crystal structures, analyze symmetry and phases, query Materials Project data, and study band structures, density of states, or formation energies.
Why use it?
It brings common materials-science calculations and structure operations into reusable workflows, rather than requiring separate tools for each task.

Skill for Claude CodeCodex

Which agent this was written for is unclear — body not stored (licence); the path alone says nothing.

Good fit Use it to inspect crystal structures, analyze symmetry and phases, query Materials Project data, and study band structures, density of states, or formation energies.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/xjtulyc/awesome-rosetta-skills/pymatgen-materials
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 xjtulyc/awesome-rosetta-skills --skill pymatgen-materials
Clone the repo
git clone --depth 1 https://github.com/xjtulyc/awesome-rosetta-skills

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 pymatgen-materials

README.md
[![agentmods](https://agentmods.dev/badge/skills/xjtulyc/awesome-rosetta-skills/pymatgen-materials/github.svg)](https://agentmods.dev/skills/xjtulyc/awesome-rosetta-skills/pymatgen-materials)
Your own site
<a href="https://agentmods.dev/skills/xjtulyc/awesome-rosetta-skills/pymatgen-materials"><img src="https://agentmods.dev/badge/skills/xjtulyc/awesome-rosetta-skills/pymatgen-materials/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 pymatgen-materials

Your own site · 80×15
<a href="https://agentmods.dev/skills/xjtulyc/awesome-rosetta-skills/pymatgen-materials"><img src="https://agentmods.dev/badge/skills/xjtulyc/awesome-rosetta-skills/pymatgen-materials.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 42 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 6,377 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 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 5.1 $0.00042 $0.06377
Opus 5 $0.00021 $0.03188
Sonnet 5 $0.00008 $0.01275
Haiku 4.5 $0.00004 $0.00638

Measured 12d ago against content hash b0b97cf4af39, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

pymatgen-materials 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 12d 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.

skills/02-chemistry/pymatgen-materials/SKILL.md · 770 lines

The source is not reproduced here

A licence we could not identify

The repository carries a LICENSE file, but it is custom or dual enough that GitHub cannot name it and neither can this catalogue. Unknown terms are not permission, so the body is not copied here. Read the licence at the source and decide for yourself.

Read it on GitHub

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. 12d ago First seen · 770 lines · 42 tokens per session scan A b0b97cf4af39

Subscribe to this mod's changes

pymatgen-materials is a skill published in the GitHub repository xjtulyc/awesome-rosetta-skills (34 stars, last pushed 5mo ago), with no licence file. It adds 42 tokens to every session and 6,377 once invoked, about $0.0002 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 2026-08-30.

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