mat-phase-diagram
OfficialFetch and plot Materials Project phase diagrams.
Education & Research#data visualization#materials project#phase diagram#thermodynamic stability#convex hull#thermo type
Authorlearningmatter-mit
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill retrieves pre-computed phase diagrams from the Materials Project so you can quickly assess thermodynamic stability and competing phases without running new DFT calculations.
Core Features & Use Cases
- Phase diagram retrieval from Materials Project: Pulls convex-hull phase diagram data for a specified chemical system (e.g., Li-O, Li-Fe-P-O).
- Thermo-type selection (DFT dataset): Supports Materials Project thermo types including GGA_GGA+U (default), R2SCAN, and GGA.
- Visualization output: Optionally generates and saves a plot (convex hull with stable/unstable phases) alongside the JSON data export.
- Use-case fit: Ideal for rapid materials discovery, stability screening, and preparing inputs to follow-on analysis (e.g., checking a specific formula’s distance to the hull).
Quick Start
Use the mat-phase-diagram skill to retrieve the Li-O phase diagram by asking it to output the result as li_o_pd.json and also generate li_o_pd.png.
Dependency Matrix
Required Modules
mp-apipymatgenmatplotlibmontyplotly
Components
scripts
💻 Claude Code Installation
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Please help me install this Skill: Name: mat-phase-diagram Download link: https://github.com/learningmatter-mit/AtomisticSkills/archive/main.zip#mat-phase-diagram Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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