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Search and filter materials

Search by elements, formula and properties, then configure result columns.

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Search by elements or formula

Open Resources → Materials Database and choose a search mode.

ModeWhen to use itExample
Only selected elementsRestrict compositions to the elements you selectSelect Si and C to exclude records containing other elements
At least selected elementsAllow additional elementsSelect Si and C to include multicomponent systems containing both
Formula searchYou know a formula or composition patternEnter SiC, or use a wildcard pattern such as LiO shown in the input hint

For an element search, select elements from the periodic table. For a formula search, enter the formula and select Search. The filter area may collapse after a query; expand it to adjust the query.

For a worked example, follow Find SiC records.

Narrow the results

Open the filter controls to set a crystal system, band-gap range, formation energy, atom count, metallicity or source database. Start with one important condition and add others after confirming that results exist.

If no records match, check units and range limits, then remove one filter. An empty result and a failed request need different responses: retry a failed request using the page's error controls.

Read the results table

Each row is a material record. Identical formulas can have different material IDs and describe different structures.

Use the column settings to choose visible fields and pagination to browse results. When comparing values, retain the material ID, crystal system or space group, source and units.

Column settings group basic, crystal, energy, physical, electronic, magnetic and source fields. Start with the basic set, select the fields needed for comparison and apply the settings.

Supported column headers open a column filter. Choose a condition, enter its value and apply it; for example, restrict the crystal-system column. Consider these filters together with composition and property filters above the table. Relax conditions one at a time if too few records remain.

Common fields

FieldMeaning and what to check
Band gap (eV)Energy difference between the valence-band maximum and conduction-band minimum. Check the structure, calculation method and whether the gap is direct.
Formation energy (usually eV/atom)Energy change relative to elemental reference states. A negative value alone does not establish stability against competing phases.
Energy above hull (usually eV/atom)Energy above the stable phase mixture. Zero places a phase on the model's hull; experimental synthesis depends on other factors too.

Follow Literature and sources to check methods, reference states and energy corrections in the original database. Keep sources separate when these details are missing. See Materials Project's electronic-structure and phase-diagram explanations.

Inspect structures and sources

Open a row's detail view. Available content depends on the record:

  • Overview: composition, space group and key properties.
  • Crystal structure: the 3D structure, lattice parameters, atomic positions and symmetry.
  • Material properties: stability, electronic properties or other supplied data.
  • Literature and sources: source database, identifiers and version information.

Use Download structure when you need the supplied structure file for further analysis. Check its material ID and structure first.

Keep absent fields marked as missing, rather than treating them as zero. Before comparing records, check their methods and calculation conditions. Follow the original data source when the detail page does not provide enough context.

See Structures, properties and sources for download formats, property plots, BibTeX citations and similar materials.