Materials Database Querier
Materials database query skill for accessing structure and property data from multiple repositories
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Materials database query skill for accessing structure and property data from multiple repositories
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
VASP DFT calculation skill for electronic structure, geometry optimization, and property prediction of nanomaterials
VASP DFT calculation skill for electronic structure, band structures, and materials property predictions
Materials science computation with pymatgen. Use when: (1) crystal structure creation and manipulation, (2) phase diagram construction, (3) electronic structure analysis, (4) symmetry and space group operations, (5) VASP input/output parsing. NOT for: molecular chemistry (use rdkit-chemistry), pr...
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
Agent skill for Data Scientist, ML / AI Engineer, Researcher, published by DingyangLyu. Project details and file access are provided by the publisher.
Agent skill for Data Scientist, ML / AI Engineer, Researcher, published by DingyangLyu. Project details and file access are provided by the publisher.
Agent skill for Data Scientist, ML / AI Engineer, Researcher, published by elizaOS. Project details and file access are provided by the publisher.
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