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Reference Database Search

Overview

Access the Crystallography Open Database and a curated local reference library for crystallographic data. Search by chemical formula, elements, or space group to find matching crystal structures.

Scientific Background

Crystallographic reference databases contain validated crystal structure data including unit cell dimensions, space groups, atomic positions, and computed diffraction properties. The COD provides over 500,000 peer-reviewed crystal structures. The local database supplements this with 50+ commonly referenced materials including LaB6 (JCPDS 34-0421), Si, Al₂O₃, TiO₂, and other standards used in routine XRD analysis.

Workflow

1

Navigate to the database search from the project workspace

2

Enter a chemical formula (e.g., LaB6) or element list (e.g., La, B)

3

MatPilot queries both the COD API and local database in parallel

4

Results include crystal structure data, diffraction peak lists, and CIF references

5

Download CIF files for further analysis or Rietveld refinement

Input Formats

Chemical formula
Element list
Space group

Expected Outputs

Matching crystal structures with metadata
Diffraction peak lists (2θ, intensity, hkl, d-spacing)
Downloadable CIF files
Theoretical diffraction patterns generated from crystal data
Database source attribution and citation information

Benefits

Dual-database search maximizes coverage
Local database provides offline reliability
Automatic theoretical pattern generation saves analysis time
CIF caching reduces redundant API calls
Peer-reviewed crystal structures ensure data quality

Frequently Asked Questions

Is the COD search free?
Yes, the Crystallography Open Database is free and open-access. MatPilot queries it via the COD REST API.
What if the COD API is unreachable?
MatPilot automatically falls back to the local reference database, which contains 50+ common crystalline materials with complete diffraction data.
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