Agent skill

Moire Superlattice

by Hello-QM in Hello-QM/catgo-LRG

A skill your agent uses when the user asks to create a moire pattern, twisted bilayer structure, magic angle graphene, or any twisted 2D heterostructure.

AGPL-3.0Auto-check passed

Install Moire Superlattice

skills CLI
$ npx skills add Hello-QM/catgo-LRG --skill moire-superlattice -a claude-code

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

GitHub CLI
$ gh skill install Hello-QM/catgo-LRG moire-superlattice --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/Hello-QM/catgo-LRG.git skills-src && mkdir -p .claude/skills && cp -r skills-src/.claude/skills/structure-moire .claude/skills/moire-superlattice && 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
moire-superlattice
GitHub stars
205
Token cost
~1.1k tokens
SKILL.md length
402 words
Files
1
Skills in repo
75
Repo updated
First seen
Licence
AGPL-3.0

At a glance

A skill your agent uses when the user asks to create a moire pattern, twisted bilayer structure, magic angle graphene, or any twisted 2D heterostructure.

  • Works in 5 steps: Fetch graphene monolayer → Search for commensurate angles → Build the moire structure → …
  • The user asks to create a moire pattern
  • SKILL.md covers Overview, MCP Tools, Complete Workflow: Twisted… and Angle Selection Guide, plus 1 more section
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Moire Superlattice is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to create a moire pattern, twisted bilayer structure, magic angle graphene, or any twisted 2D heterostructure.

Its SKILL.md is about 1.1k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

The repository describes itself as: AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission… The licence is AGPL-3.0.

When your agent uses it

  • The user asks to create a moire pattern
  • Twisted bilayer structure
  • Magic angle graphene
  • Any twisted 2D heterostructure

Example prompts

  • “/moire-superlattice”

Workflow steps

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

  1. Fetch graphene monolayer
  2. Search for commensurate angles
  3. Build the moire structure
  4. Verify
  5. Relax (optional -- requires ML potential for large cells)

What it can do on your machine

Read from SKILL.md and the folder at commit fd6291b. 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

    No scripts in the folder and no shell commands in SKILL.md (its code samples are json).

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

  • Network

    No URLs in SKILL.md.

    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

Moire Superlattice loads about 1.1k tokens when it runs. Until then it costs about 38 tokens; SKILL.md has 402 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~38
When it runs · the whole SKILL.md, loaded when a task matches
~1.1k

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); files beside SKILL.md are not scanned.

SKILL.md

The full file from Hello-QM/catgo-LRG at commit fd6291b, republished under its AGPL-3.0 licence (© Hello-QM). 402 words, ~1,138 tokens.

Download SKILL.mdSave it as .claude/skills/moire-superlattice/SKILL.md (or your agent's skills folder).
name
moire-superlattice
description
Use when the user asks to create a moire pattern, twisted bilayer structure, magic angle graphene, or any twisted 2D heterostructure.

Moire Superlattice

Overview

A moire superlattice forms when two identical 2D layers are stacked with a relative twist angle. The resulting interference pattern creates a periodic supercell with properties that depend strongly on the twist angle.

Common applications:

  • Twisted bilayer graphene (TBG): magic-angle superconductivity (~1.1 deg)
  • Twisted TMDs: MoS2/MoS2, WSe2/WSe2 moire excitons
  • Flat-band engineering: correlated electron physics
  • Strain-engineered devices: tunable band gaps

MCP Tools

catgo_moire_search -- Find commensurate angles
json
{"tool": "catgo_moire_search", "arguments": {
  "structure": "<current viewer structure>",
  "max_angle": 30,
  "tolerance": 0.01
}}

Searches for twist angles that produce commensurate superlattices (exact periodic boundary conditions). Returns a list of angles with supercell sizes, atom counts, and lattice mismatch.

ParameterDescriptionDefault
structure2D monolayer structure (auto-fetched from viewer)(required)
max_angleMaximum twist angle to search (degrees)30
toleranceCommensurability tolerance0.01
catgo_moire_build -- Build the twisted bilayer
json
{"tool": "catgo_moire_build", "arguments": {
  "structure": "<current viewer structure>",
  "angle": 21.79,
  "interlayer_distance": 3.35
}}
ParameterDescriptionDefault
structure2D monolayer structure(required)
angleTwist angle in degrees (from search results)(required)
interlayer_distanceDistance between layers in Angstroms3.35
Router: /moire/search (POST), /moire/build (POST)

Complete Workflow: Twisted Bilayer Graphene

Step 1: Fetch graphene monolayer
json
{"tool": "catgo_fetch", "arguments": {
  "action": "crystal", "formula": "C", "source": "mc3d"
}}

Or load a graphene structure from file.

Step 2: Search for commensurate angles
json
{"tool": "catgo_moire_search", "arguments": {
  "max_angle": 10,
  "tolerance": 0.01
}}

The result lists angles sorted by supercell size. Small angles produce very large supercells (thousands of atoms).

Step 3: Build the moire structure

Pick an angle from the search results:

json
{"tool": "catgo_moire_build", "arguments": {
  "angle": 5.09,
  "interlayer_distance": 3.35
}}
Step 4: Verify
json
{"tool": "catgo_view", "arguments": {"action": "get_state"}}

Check: two layers visible, correct interlayer spacing, moire pattern in the xy plane.

Step 5: Relax (optional -- requires ML potential for large cells)

Magic-angle TBG (~1.1 deg) has ~11,000+ atoms. Use an MLP for relaxation:

json
{"tool": "catgo_workflow_engine", "arguments": {
  "action": "create", "params": {"name": "TBG moire relaxation"}
}}
json
{"tool": "catgo_workflow_engine", "arguments": {
  "action": "add_task", "params": {
    "workflow_id": "<wf_id>",
    "task_type": "geo_opt",
    "params": {"software": "mlp", "mlp_model": "mace",
               "system_name": "TBG-5.09deg"}
  }
}}
Show full SKILL.md (161 more words)Show less

Angle Selection Guide

Angle (deg)Approx. Atoms (graphene)Notes
21.79~28Smallest commensurate, good for testing
13.17~76Small, DFT-feasible
9.43~148Moderate
5.09~508Large, MLP recommended
3.89~868Very large
1.08~11,164Magic angle, MLP or tight-binding only

Common Pitfalls

  1. Always start from a monolayer (single 2D layer). If you have a bulk structure, cut it down to one layer first.
  2. Small twist angles produce very large supercells. Check atom count from catgo_moire_search before building.
  3. The interlayer distance for graphene is ~3.35 A. For TMDs it is typically ~6.1-6.5 A (layer center to center). Use appropriate values.
  4. Only commensurate angles from the search results give exact periodic boundary conditions. Arbitrary angles require approximation and may have significant strain.
  5. DFT calculations on moire structures larger than ~200 atoms typically require ML potentials or tight-binding methods. Standard DFT is impractical for magic-angle TBG.
  6. Van der Waals corrections (DFT-D3, rVV10) are essential for accurate interlayer interactions.

© Hello-QM, AGPL-3.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

Just SKILL.md in .claude/skills/structure-moire of Hello-QM/catgo-LRG.

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Moire Superlattice 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.

Moire Superlattice compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Moire Superlattice this skillHello-QM/catgo-LRG205—~1.1kAutomated safety check: PassAGPL-3.0
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Kotlin Exposed Patternsaffaan-m/ECC276k4 repos~5.5kAutomated safety check: PassMIT
Dotnet Patternsaffaan-m/ECC276k1 repos~2.3kAutomated safety check: PassMIT
Fastapi Patternsaffaan-m/ECC276k—~2.3kAutomated safety check: PassMIT
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Questions about Moire Superlattice

What does Moire Superlattice do?

A skill your agent uses when the user asks to create a moire pattern, twisted bilayer structure, magic angle graphene, or any twisted 2D heterostructure. Moire Superlattice is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to create a moire pattern, twisted bilayer structure, magic angle graphene, or any twisted 2D heterostructure.

When should I use Moire Superlattice?

Moire Superlattice fits situations like: the user asks to create a moire pattern; twisted bilayer structure; magic angle graphene; any twisted 2D heterostructure.

How do I install Moire Superlattice in Claude Code?

Run `npx skills add Hello-QM/catgo-LRG --skill moire-superlattice -a claude-code`. Or copy the skill folder (.claude/skills/structure-moire in Hello-QM/catgo-LRG) into .claude/skills/moire-superlattice in your project. Claude Code loads it when a task matches its description.

How do I install Moire Superlattice in Codex?

Run `npx skills add Hello-QM/catgo-LRG --skill moire-superlattice -a codex`. Or copy the skill folder (.claude/skills/structure-moire in Hello-QM/catgo-LRG) into .agents/skills/moire-superlattice in your project. Codex loads it when a task matches its description.

Can I use Moire Superlattice 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 Hello-QM/catgo-LRG --skill moire-superlattice -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/moire-superlattice, .gemini/skills/moire-superlattice, .github/skills/moire-superlattice and .opencode/skills/moire-superlattice in your project.

What does Moire Superlattice need to run?

SKILL.md names no scripts, command-line tools or credentials: Moire Superlattice is instructions for the agent only.

Does Moire Superlattice access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Moire Superlattice 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. Review the folder before installing.

What licence does Moire Superlattice use?

Moire Superlattice is published under the AGPL-3.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Moire Superlattice use?

About 1.1k tokens (SKILL.md is roughly 4.6k 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 Moire Superlattice?

Skills that share tags, products or a category with Moire Superlattice: Golang Patterns (affaan-m/ECC, 276k stars), Kotlin Exposed Patterns (affaan-m/ECC, 276k stars), Dotnet Patterns (affaan-m/ECC, 276k stars) and Fastapi Patterns (affaan-m/ECC, 276k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Moire Superlattice?

Hello-QM (a GitHub user) maintains it in Hello-QM/catgo-LRG, which has 205 GitHub stars. The repository holds 75 skills in this directory. The repository was last updated on September 22, 2026.

Source: Hello-QM/catgo-LRG on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.