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Agent skill

Mat Calphad Phase Diagram

by learningmatter-mit in learningmatter-mit/AtomisticSkills

Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods.

MITAuto-check passedDevelopment

Install Mat Calphad Phase Diagram

skills CLI
$ npx skills add learningmatter-mit/AtomisticSkills --skill mat-calphad-phase-diagram -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install learningmatter-mit/AtomisticSkills mat-calphad-phase-diagram --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/learningmatter-mit/AtomisticSkills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/mat-calphad-phase-diagram .claude/skills/mat-calphad-phase-diagram && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
mat-calphad-phase-diagram
GitHub stars
176
Token cost
~660 tokens
SKILL.md length
238 words
Files
5 (incl. scripts)
Skills in repo
129
Repo updated
First seen
Licence
MIT

At a glance

Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods.

  • Works in 3 steps: Identify Thermodynamic Database → Plot the Phase Diagram → Verification
  • Tasks that involve Diagrams
  • SKILL.md covers Goal, Instructions, Examples and Constraints, plus 1 more section
  • Runs Python scripts from its folder

What it does

Mat Calphad Phase Diagram is an agent skill from learningmatter-mit/AtomisticSkills. Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods.

Its SKILL.md is about 660 tokens, which your agent loads only when the skill is triggered. The skill folder holds 7 other files, including scripts (for example `examples/Al-Zn/README.md` and `scripts/plot_phase_diagram.py`).

It sits in Development, covering Diagrams. The repository describes itself as: Integrating AtomisticSkills into Agentic IDEs (Cursor, Claude Code, Codex, Google Antigravity, Hermes Agent, etc). The licence is MIT.

When your agent uses it

  • Tasks that involve Diagrams

Example prompts

  • “/mat-calphad-phase-diagram”

Requirements

  • Python 3

Workflow steps

3 steps, taken from the step headings in SKILL.md.

  1. Identify Thermodynamic Database
  2. Plot the Phase Diagram
  3. Verification

What it can do on your machine

Read from SKILL.md and the folder at commit 6257444. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    Ships 1 file in scripts/ (Python), which the agent can run.

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    Links to these hosts (documentation or services it may open):

    • doi.org
    • github.com

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names no API keys, tokens, secrets or passwords.

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Mat Calphad Phase Diagram loads about 660 tokens when it runs. Until then it costs about 41 tokens; SKILL.md has 238 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~41
When it runs · the whole SKILL.md, loaded when a task matches
~660

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); the scripts in this folder are not scanned.

SKILL.md

The full file from learningmatter-mit/AtomisticSkills at commit 6257444, republished under its MIT licence (© learningmatter-mit). 238 words, ~660 tokens.

Download SKILL.mdSave it as .claude/skills/mat-calphad-phase-diagram/SKILL.md (or your agent's skills folder). This skill also uses 4 other files; get the full folder from GitHub.
name
mat-calphad-phase-diagram
description
Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods.
metadata.category
materials
metadata.venv
cpu

mat-calphad-phase-diagram

Goal

To plot macroscopic metallurgical Temperature-composition ($T-x$) binary phase diagrams using the CALPHAD methodology from pre-fitted .tdb thermodynamic databases. This enables the prediction of solidus/liquidus lines, miscibility gaps, and invariant reactions (e.g. eutectics).

Instructions

1. Identify Thermodynamic Database

You must obtain a legitimate .tdb (Thermodynamic Data Base) file for the chemical system of interest.

  • You can find databases in published literature or open repositories (like PyCalphad's databases).
2. Plot the Phase Diagram

Use the provided python script to generate the $T-x$ boundary plot.

bash
${CLAUDE_SKILL_DIR}/../../venv/run cpu python ${CLAUDE_SKILL_DIR}/scripts/plot_phase_diagram.py path/to/database.tdb --elements Element1 Element2 --t-range 300 1000 10 --output research_dir/phase_diagram.png
  • --elements: The two chemical symbols to plot. The script computes the binary system.
  • --t-range: START STOP STEP in Kelvin. It is recommended to use a step of 10 for reasonable trade-offs between calculation speed and curve smoothness.
3. Verification

Use a visual inspection tool to verify the resulting phase_diagram.png. Ensure that phase labels are clearly visible and there are no overlapping disjoint calculation artifacts (indicative of a database convergence issue).

Examples

Plotting the classic Aluminum-Zinc Phase Diagram (Mey 1993):

bash
${CLAUDE_SKILL_DIR}/../../venv/run cpu python ${CLAUDE_SKILL_DIR}/scripts/plot_phase_diagram.py ${CLAUDE_SKILL_DIR}/examples/Al-Zn/alzn_mey.tdb --elements Al Zn --t-range 300 1000 10 --output Al-Zn_diagram.png

Constraints

  • Databases: This skill strictly requires a valid .tdb file.
  • Environments: Scripts require the cpu environment, which includes pycalphad.
  • Multicomponent: This specific plotting script focuses on Binary Systems. Ternary isotherms require a separate script not yet implemented.

References

  • Richard Otis and Zi-Kui Liu. "pycalphad: CALPHAD-based Computational Thermodynamics in Python." Journal of Open Research Software 5.1 (2017). DOI
  • S. Mey, "Re-evaluation of the Al-Zn system", Z. Metallkd. 84(7) (1993) 451-455.

Author: Bowen Deng Contact: GitHub @learningmatter-mit

© learningmatter-mit, MIT. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

SKILL.md and 4 other files (scripts) in skills/mat-calphad-phase-diagram of learningmatter-mit/AtomisticSkills.

  • SKILL.md
  • examples/Al-Zn/Al-Zn_diagram.png
  • examples/Al-Zn/README.md
  • examples/Al-Zn/alzn_mey.tdb
  • scripts/plot_phase_diagram.py

Open the folder on GitHubat commit 6257444

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Categories

Questions about Mat Calphad Phase Diagram

What does Mat Calphad Phase Diagram do?

Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods. Mat Calphad Phase Diagram is an agent skill from learningmatter-mit/AtomisticSkills.tdb) files using CALPHAD methods.

When should I use Mat Calphad Phase Diagram?

Mat Calphad Phase Diagram fits situations like: tasks that involve Diagrams.

How do I install Mat Calphad Phase Diagram in Claude Code?

Run `npx skills add learningmatter-mit/AtomisticSkills --skill mat-calphad-phase-diagram -a claude-code`. Or copy the skill folder (skills/mat-calphad-phase-diagram in learningmatter-mit/AtomisticSkills) into .claude/skills/mat-calphad-phase-diagram in your project. Claude Code loads it when a task matches its description.

How do I install Mat Calphad Phase Diagram in Codex?

Run `npx skills add learningmatter-mit/AtomisticSkills --skill mat-calphad-phase-diagram -a codex`. Or copy the skill folder (skills/mat-calphad-phase-diagram in learningmatter-mit/AtomisticSkills) into .agents/skills/mat-calphad-phase-diagram in your project. Codex loads it when a task matches its description.

Can I use Mat Calphad Phase Diagram in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add learningmatter-mit/AtomisticSkills --skill mat-calphad-phase-diagram -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/mat-calphad-phase-diagram, .gemini/skills/mat-calphad-phase-diagram, .github/skills/mat-calphad-phase-diagram and .opencode/skills/mat-calphad-phase-diagram in your project.

What does Mat Calphad Phase Diagram need to run?

Going by SKILL.md and its folder, Mat Calphad Phase Diagram needs Python for the scripts in its folder. Our summary lists: Python 3.

Does Mat Calphad Phase Diagram access the network?

SKILL.md names 2 domains. As links in the text: doi.org and github.com. This is read from the text; nothing was executed.

Is Mat Calphad Phase Diagram safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.

What licence does Mat Calphad Phase Diagram use?

Mat Calphad Phase Diagram is published under the MIT licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Mat Calphad Phase Diagram use?

About 660 tokens (SKILL.md is roughly 2.6k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Mat Calphad Phase Diagram?

Skills that share tags, products or a category with Mat Calphad Phase Diagram: Archify Diagrams (tt-a1i/archify, 79k stars), JSON Canvas (heyitsnoah/claudesidian, 2.6k stars), Diagram Design (cathrynlavery/diagram-design, 45k stars) and Fireworks Tech Graph (tisfeng/Easydict, 15k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Mat Calphad Phase Diagram?

learningmatter-mit (a GitHub organization) maintains it in learningmatter-mit/AtomisticSkills, which has 176 GitHub stars. The repository holds 129 skills in this directory. The repository was last updated on October 7, 2026.

Source: learningmatter-mit/AtomisticSkills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.