mat-defect-energy
Pass
Audited by Gen Agent Trust Hub on Jun 19, 2026
Risk Level: SAFE
Full Analysis
- [SAFE]: The skill implements standard materials science workflows for point-defect calculations. All operations are local or interact with well-known scientific databases.
- [COMMAND_EXECUTION]: The skill executes local Python scripts (
generate_defects.py,calculate_defect_energy.py) to automate defect generation and formation energy calculations. These scripts use standard scientific libraries and follow established physics models. - [EXTERNAL_DOWNLOADS]: The skill uses official tool calls to retrieve crystal structures from the Materials Project, which is a well-known and trusted scientific resource in the materials science community.
- [DATA_EXPOSURE]: The skill reads structural data (CIF files) and relaxation results (JSON files) from specified local directories. These operations are limited to the skill's intended operational scope for processing materials data.
- [INDIRECT_PROMPT_INJECTION]: The skill ingests crystal structure data (CIF) and relaxation outputs. It utilizes robust, industry-standard parsers like
pymatgenand the Pythonjsonlibrary, which effectively mitigates risks associated with processing external structured data.
Audit Metadata