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It covers core objects (Composition, Molecule, Structure), safe local structure intake, symmetry analysis, conversion and parser/writer I/O, transformations with provenance, local phase diagrams, electronic-structure I/O (VASP, Q-Chem), and Materials Project queries with explicit planning and bounded execution. The skill includes bundled command-line scripts for validation, analysis, symmetry sensitivity, conversion planning, structure conversion, phase diagram generation, Materials Project queries, and artifact manifests. It emphasizes provenance preservation, method- and parameter-dependence, and safe handling of untrusted files and network access. The verified snapshot pins pymatgen 2026.5.4, pymatgen-core 2026.7.16, and mp-api 0.46.4. The skill is licensed under MIT and is part of the Scientific Agent Skills library by K-Dense.", "description_zh": "该 Agent Skill 提供使用 pymatgen 分析、验证、转换和变换材料结构及计算材料数据的过程性指导。涵盖核心对象（Composition、Molecule、Structure）、安全的本地结构输入、对称性分析、转换与解析器/写入器 I/O、带来源追踪的变换、局部相图、电子结构 I/O（VASP、Q-Chem）以及具有明确规划和受限执行的 Materials Project 查询。该技能包含多个命令行脚本，用于验证、分析、对称性敏感性、转换规划、结构转换、相图生成、Materials Project 查询和工件清单。它强调来源保留、方法和参数依赖性，以及安全处理不可信文件和网络访问。已验证快照固定 pymatgen 2026.5.4、pymatgen-core 2026.7.16 和 mp-api 0.46.4。该技能采用 MIT 许可证，是 K-Dense 的 Scientific Agent Skills 库的一部分。", "provider_name": "K-Dense-AI", "homepage_url": "https://github.com/K-Dense-AI/scientific-agent-skills/tree/main/skills/pymatgen", "endpoint_url": null, "source_url": "https://raw.githubusercontent.com/K-Dense-AI/scientific-agent-skills/1e5eeffbdad3749125afe7ab48a39694e27f181c/skills/pymatgen/SKILL.md", "icon_url": null, "cover_image_url": null, "capabilities": [ "materials.analyze", "materials.validate", "materials.convert", "materials.transform", "materials.phase-diagram", "materials.electronic-structure", "materials.symmetry", "materials.query" ], "categories": [ "research", "data", "developer-tools" ], "industries": [ "software", "general" ], "protocols": [ "agent-skills" ], "auth": { "type": "none", "required": false }, "pricing": { "model": "free" }, "input_schema": {}, "output_schema": {}, "metadata": { "content_language": "en", "translation_status": "original-only", "license": { "spdx_id": "MIT", "source": "https://github.com/K-Dense-AI/scientific-agent-skills/blob/1e5eeffbdad3749125afe7ab48a39694e27f181c/LICENSE" }, "github": { "repository": "K-Dense-AI/scientific-agent-skills", "owner": "K-Dense-AI", "path": "skills/pymatgen/SKILL.md", "commit": "1e5eeffbdad3749125afe7ab48a39694e27f181c", "stars": 42124, "forks": 3870, "updated_at": "2026-09-03T02:47:03Z" }, "skill": { "compatibility": "Python 3.11+ with uv. 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