HEAS Data Platform
A materials science database project derived from the Materials Project at Lawrence Berkeley National Laboratory and ICAMS Alexandria at Ruhr University Bochum. We provide structured materials science data accessible via online search and an open API, as well as theoretical XRD data retrieval and online analytical queries.
Data Collections
Two searchable corpora behind one query panel — switch between them with the db parameter
Materials Project
Unified MP library · structure / thermodynamics / elasticity / electronic & magnetic properties · CIF crystal structures · simulated XRD patterns
Alexandria ICAMS, RUB
Alexandria identifiers (agm…) · crystal structures with computed properties · released under CC BY 4.0
Quick Start
Three steps to the complete data of any target material
Search Materials
Enter a chemical formula (e.g. FeNi), an MP-ID (e.g. mp-2866) or an Alex-ID (e.g. agm005737469); fuzzy matching and element-combination filtering are supported.
Filter by Dimensions
Pick the target corpus with the database switch, then filter precisely by crystal system, space group, formation-energy range, stability and elemental composition.
Inspect Details
View elastic constants, electronic band gaps, and magnetic parameters, or analyze crystal structures and diffraction via CIF / XRD.
The Seven Crystal Systems
Click a crystal system to query Materials Project records directly
Core Features
A modern data platform built for materials-science research
Multi-dimensional Filtering
Elemental composition · crystal-system class · space group · formation-energy range · stability filter
CIF 3D Rendering
3Dmol.js engine · interactive rotate & zoom · Ball & Stick / Spacefill switching
XRD Diffraction Matching
Theoretical peak lookup · paste experimental 2θ peak lists · similar-material phase identification
High-performance Index
SQLite index optimization · enforced pagination · element inverted index · sub-second response
RESTful API
JSON data interface · versioned · cross-origin support · rate limiting
Property Visualization
Elastic moduli · electronic band gap · magnetic parameters · Pugh ratio · Vickers hardness
API Quick Start
All data is available programmatically through the RESTful API — select the corpus with db=mp|alex
Key Endpoints
/api/v1/materials
/api/v1/materials/:id
/api/v1/materials/:id/cif
/api/v1/xrd?mp_id=:id
/api/v1/xrd?peaks=21.2,44.5
/api/v1/stats
# Fetch the first 20 Materials Project records
curl "https://heas.labs.gt.ac.cn/api/v1/materials?db=mp&type=HEA&per_page=20"
# Fetch Materials Project records containing Fe
curl "https://heas.labs.gt.ac.cn/api/v1/materials?db=mp&type=HEA&q=Fe&per_page=10"
# Switch to the Alexandria corpus (Alex-IDs)
curl "https://heas.labs.gt.ac.cn/api/v1/materials?db=alex&per_page=20"
# XRD phase matching (experimental peaks, Materials Project only)
curl "https://heas.labs.gt.ac.cn/api/v1/xrd?peaks=21.2,44.5,64.8"Start Exploring Material Data
Head to the query page and use the powerful filters to locate the materials you need — in the Materials Project or in Alexandria — or consult the API documentation to integrate the data into your research workflow.
