Agent skill

Mat Elemental Energies

by learningmatter-mit in learningmatter-mit/AtomisticSkills

A library of ground-state element structures and their energies calculated from MLIPs.

MITAuto-check passed

Install Mat Elemental Energies

skills CLI
$ npx skills add learningmatter-mit/AtomisticSkills --skill mat-elemental-energies -a claude-code

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

GitHub CLI
$ gh skill install learningmatter-mit/AtomisticSkills mat-elemental-energies --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-elemental-energies .claude/skills/mat-elemental-energies && 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-elemental-energies
GitHub stars
176
Token cost
~646 tokens
SKILL.md length
284 words
Files
130 (incl. scripts)
Skills in repo
129
Repo updated
First seen
Licence
MIT

At a glance

A library of ground-state element structures and their energies calculated from MLIPs.

  • SKILL.md covers Goal, Instructions, Library Status and Constraints

What it does

Mat Elemental Energies is an agent skill from learningmatter-mit/AtomisticSkills. A library of ground-state element structures and their energies calculated from MLIPs. Used to calculate formation energies of compounds.

Its SKILL.md is about 650 tokens, which your agent loads only when the skill is triggered. The skill folder holds 130 other files, including scripts (for example `resources/CHGNet-MPtrj-2023.12.1-2.7M-PES_energies.json`, `resources/CHGNet-MPtrj-2024.2.13-11M-PES_energies.json` and `resources/CHGNet-MatPES-PBE-2025.2.10-2.7M-PES_energies.json`).

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

Example prompts

  • “/mat-elemental-energies”

Requirements

  • Python 3

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/, 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):

    • 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 Elemental Energies loads about 646 tokens when it runs. Until then it costs about 40 tokens; SKILL.md has 284 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~40
When it runs · the whole SKILL.md, loaded when a task matches
~646

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). 284 words, ~646 tokens.

Download SKILL.mdSave it as .claude/skills/mat-elemental-energies/SKILL.md (or your agent's skills folder). This skill also uses 129 other files; get the full folder from GitHub.
name
mat-elemental-energies
description
A library of ground-state element structures and their energies calculated from MLIPs. Used to calculate formation energies of compounds.
metadata.category
materials
metadata.venv
cpu

Elemental Energies

Goal

To provide a centralized library of the most stable phases (ground states) for each element and their corresponding reference energies calculated using different Machine Learning Interatomic Potentials (MLIPs). This avoids redundant relaxations and ensure consistency in thermodynamics calculations (e.g., formation energy, stability).

Instructions

1. Retrieve Elemental Energies

To get the energies for a list of elements from a specific checkpoint:

bash
${CLAUDE_SKILL_DIR}/../../venv/run cpu python ${CLAUDE_SKILL_DIR}/scripts/get_elemental_energies.py --elements Li Fe O --checkpoint mace-mp-medium

Library Status

As of 2026-01-30, the library is fully expanded and contains 89 elements (Ground states from H to Lr) across 36 MLIP variants, including:

  • MACE: MACE-MP (S/M/L), MACE-MH-0/1 (all heads), MACE-OMAT (S/M), MACE-MATPES (PBE/R2SCAN).
  • MatGL: CHGNet (MPtrj, MatPES), M3GNet (MP, MatPES), TensorNet (MatPES).
  • FairChem: UMA (S/M) with all heads (omat, omol, oc20).

Constraints

  • Materials Project: Structures must be queried from Materials Project to ensure they represent the true ground-state phases.
  • Naming: Library files must follow the <checkpoint_name>_energies.json format.
  • Units: Energies are stored as eV/atom (total potential energy of the relaxed structure divided by the number of atoms).
  • Relaxation: The stored value comes from relaxing both cell and coordinates (relax_cell=True). A positions-only relaxation leaves the reference above the potential's own minimum and biases every formation energy that uses it.
  • Molecular-crystal elements are sensitive: for O, N, F, Cl, H the MP ground state is a van der Waals-bound molecular crystal whose MLIP-relaxed cell differs a lot from the DFT cell, so the cell relaxation matters more here than for metals. With TensorNet-PES-MatPES-PBE-2025.2, mp-12957 (O2) gives -5.118 eV/atom fully relaxed versus -4.968 positions-only. More than one MP entry can also tie at energy_above_hull = 0 for these elements (O2: mp-12957 and mp-1524462), so pin the material_id rather than relying on a formula lookup returning a stable order.

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 129 other files (scripts) in skills/mat-elemental-energies of learningmatter-mit/AtomisticSkills.

  • SKILL.md
  • resources/CHGNet-MPtrj-2023.12.1-2.7M-PES_energies.json
  • resources/CHGNet-MPtrj-2024.2.13-11M-PES_energies.json
  • resources/CHGNet-MatPES-PBE-2025.2.10-2.7M-PES_energies.json
  • resources/CHGNet-MatPES-r2SCAN-2025.2.10-2.7M-PES_energies.json
  • resources/M3GNet-MP-2021.2.8-DIRECT-PES_energies.json
  • resources/M3GNet-MP-2021.2.8-PES_energies.json
  • resources/M3GNet-MatPES-PBE-v2025.1-PES_energies.json
  • resources/M3GNet-MatPES-r2SCAN-v2025.1-PES_energies.json
  • resources/MACE-MATPES-PBE-0_energies.json
  • resources/MACE-MATPES-R2SCAN-0_energies.json
  • resources/MACE-MH-0_matpes_r2scan_energies.json
  • resources/MACE-MH-0_oc20_usemppbe_energies.json
  • resources/MACE-MH-0_omat_pbe_energies.json
  • resources/MACE-MH-0_omol_energies.json
  • resources/MACE-MH-0_spice_wB97M_energies.json
  • resources/MACE-MH-1_matpes_r2scan_energies.json
  • resources/MACE-MH-1_oc20_usemppbe_energies.json
  • resources/MACE-MH-1_omat_pbe_energies.json
  • resources/MACE-MH-1_omol_energies.json
  • … and 110 more

Open the folder on GitHubat commit 6257444

Compare with similar skills

Mat Elemental Energies next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Mat Elemental Energies compared with similar skills
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Mat Elemental Energies this skilllearningmatter-mit/AtomisticSkills176—~646Automated safety check: PassMIT
Energy Calculatorbenchflow-ai/skillsbench1.8k—~437Automated safety check: PassApache-2.0
Bio Free Energy CalculationsGPTomics/bioSkills1.2k1 repos~4.5kAutomated safety check: PassMIT
Structured Element ExtractionTHUYRan/Legal-Skills-Chinese873—~8.4kAutomated safety check: PassNone
Structured Datathedaviddias/Front-End-Checklist74k—~420Automated safety check: PassMIT
Bio Structural Biology Modern Structure PredictionFreedomIntelligence/OpenClaw-Medical-Skills3.1k1 repos~2.5kAutomated safety check: PassNone

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Questions about Mat Elemental Energies

What does Mat Elemental Energies do?

A library of ground-state element structures and their energies calculated from MLIPs. Mat Elemental Energies is an agent skill from learningmatter-mit/AtomisticSkills. A library of ground-state element structures and their energies calculated from MLIPs.

How do I install Mat Elemental Energies in Claude Code?

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

How do I install Mat Elemental Energies in Codex?

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

Can I use Mat Elemental Energies 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-elemental-energies -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-elemental-energies, .gemini/skills/mat-elemental-energies, .github/skills/mat-elemental-energies and .opencode/skills/mat-elemental-energies in your project.

What does Mat Elemental Energies need to run?

SKILL.md names no scripts, command-line tools or credentials: Mat Elemental Energies is instructions for the agent only. Our summary lists: Python 3.

Does Mat Elemental Energies access the network?

SKILL.md names 1 domain. As links in the text: github.com. This is read from the text; nothing was executed.

Is Mat Elemental Energies 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 Elemental Energies use?

Mat Elemental Energies 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 Elemental Energies use?

About 646 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 Elemental Energies?

Skills that share tags, products or a category with Mat Elemental Energies: Energy Calculator (benchflow-ai/skillsbench, 1.8k stars), Bio Free Energy Calculations (GPTomics/bioSkills, 1.2k stars), Structured Element Extraction (THUYRan/Legal-Skills-Chinese, 873 stars) and Structured Data (thedaviddias/Front-End-Checklist, 74k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Mat Elemental Energies?

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.