phase_diagram_generator

This script generates phase diagrams for chemical systems using data from the Materials Project database via pymatgen's MPRester.

Skills
Scientific
2

What it does and how to use it

A skill that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.

Install the skill (command above).
In Claude Code, describe what you need - the skill turns on by itself when the context fits.
No commands to memorize: you talk in plain language and the skill does the rest.

Install (Claude Code)

mkdir -p .claude/skills/phase-diagram-generator && curl -fsSL https://doutorai.pt/data/lib/skills__phase-diagram-generator.md -o .claude/skills/phase-diagram-generator/SKILL.md

Paste this command into the terminal, in your project folder, and the component installs automatically.

Content

#!/usr/bin/env python3
"""
Phase diagram generator using Materials Project data.

This script generates phase diagrams for chemical systems using data from the
Materials Project database via pymatgen's MPRester.

Usage:
    python phase_diagram_generator.py chemical_system [options]

Examples:
    python phase_diagram_generator.py Li-Fe-O
    python phase_diagram_generator.py Li-Fe-O --output li_fe_o_pd.png
    python phase_diagram_generator.py Fe-O --show
    python phase_diagram_generator.py Li-Fe-O --analyze "LiFeO2"
"""

import argparse
import os
import sys
from pathlib import Path

try:
 

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