Structures, properties and sources

#Open a material record

Open the Materials Database, follow the search guide to find a record, then open its detail page. Check the material ID, formula and source first. The same formula can represent different structures, so retain the ID in comparisons and citations.

Use the sidebar to navigate to the overview, crystal structure, properties, references and sources, and similar materials. Return to search results to inspect other records.

#Inspect the crystal structure

Use the 3D view and element visibility controls to examine atomic arrangements. In the crystal-structure section, inspect lattice lengths, angles, volume, atomic positions, occupancy and symmetry.

Before using the structure as a calculation input, confirm that the cell and coordinates match your intended record. Matching formulas alone do not establish identical structures.

#Read material properties

Available content varies by record:

Summary values help screening. When interpreting curves, also inspect axes, units and energy references. Use image enlargement or refresh controls where provided.

Keep unavailable fields as missing. Consult the source when methods or reference states are unclear. See Common fields.

#Download structure files

Choose a format next to the structure-download action, then download. Options include CIF, symmetrized CIF, POSCAR, JSON, XYZ and VASP MPRelaxSet; use those available for the current record.

Keep the material ID and source with the file. When using it in a calculation workflow, recheck the elements, atom count and cell to confirm the intended structure representation.

#Retain references and sources

The references-and-sources section contains papers, DOI links, database identifiers, versions and dates. Use a paper's BibTeX download when importing it into a reference manager.

The data source identifies where the structure record came from; related papers help explain research and methods. Preserve the relevant information from both.

#Explore similar materials

The similar-materials section lists candidate records and similarity information. Compare composition and IDs before opening candidates for closer inspection.

Similarity helps discovery. It does not replace comparison of stability, methods or target properties. Inspect each candidate using the same steps as the original record.