菜单
Build carbon nanotubes (CNTs) of any chirality (n,m), length, bond, and PBC.
用 Codex 或 Claude 帮你安装 复制这段 Prompt，粘贴到 Codex、Claude 或其他助手里，让它检查 Skill 页面并帮你完成安装。
基于 SOC 职业分类
Build common bulk crystal structures (FCC/BCC/HCP/diamond/zincblende/...) using ASE.
Build a coherent lattice-matched interface between two bulk structures using the pymatgen ZSL algorithm.
Workflow, lattice-matching strategies, and pitfalls for building interfaces between two crystals/surfaces.
Strategies for searching, filtering, and downloading structures from the Materials Project (MP) database.
Workflow for building Metal-Organic Framework (MOF) structures (MOF-5, Cu-BTC, IRMOF series, custom).
Methods for building isolated molecules (ASE database, SMILES via RDKit, organometallics, endohedral cages, NEB pathways).
| name | nanotube-builder |
| description | Build carbon nanotubes (CNTs) of any chirality (n,m), length, bond, and PBC. |
| when_to_use | Use when the user asks to build a CNT, an armchair/zigzag/chiral tube, or a starting tube to be filled later. Pair with `nanostructure-creation` for the design checklist. |
| entry | scripts/nanotube_builder.py |
Single-command CLI built on top of ase.build.nanotube. Reports diameter,
chirality type (armchair / zigzag / chiral), tube length, cell, and atom count.
python3 scripts/nanotube_builder.py build_nanotube --n 7 --m 7 --length 4
python3 scripts/nanotube_builder.py build_nanotube --n 10 --m 0 --length 6 --bond 1.42 --vacuum 20.0
For chirality / diameter rules of thumb and post-build steps (filling,
thermal perturbation, PBC consistency), read the
nanostructure-creation skill.