Replaces brute-force experimental screening with chemical rule-based stability predictions. Uses electronegativity and ionic radii to filter millions of potential compositions for materials discovery.
Tech Stack
PythonChemistry & Materials
Why SMACT?
• Fast screening
• Theoretically grounded
• Lightweight
Limitations
• Limited to ionic systems
• No built-in GUI
• Requires domain expertise
3/5/2026
Last Update
29
Forks
0
Issues
MIT
License
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