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science.materials.details

Retrieve detailed DFT-computed material properties including band gap, formation energy, crystal structure, and thermodynamic stability using Materials Project IDs.

Instructions

Get full DFT-computed properties for a material by Materials Project ID (e.g. mp-149 for silicon). Returns: band gap, formation energy, thermodynamic stability, density, crystal structure, spacegroup, magnetism, bulk/shear modulus, Poisson ratio, Fermi energy, database cross-references. 150K+ materials (Materials Project)

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
material_idYesMaterials Project ID (e.g. "mp-149" for silicon, "mp-19017" for LiFePO4). Get IDs from materials.search
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