Physical sciences computing · Lawrence Berkeley National Laboratory (US DOE)
Materials Project
Free DOE-funded database of computed properties for over 150,000 materials, searchable and accessible via API.
Materials Project is a free, US Department of Energy-funded database run out of Lawrence Berkeley National Laboratory that publishes computed physical and chemical properties (electronic structure, elastic constants, formation energy, phase stability and more) for well over 150,000 inorganic and increasingly organic compounds, generated through high-throughput density functional theory calculations. Researchers search the database by chemistry or structure through a web interface, or pull data programmatically through its Python API (pymatgen/MP API), and can also submit their own calculations for inclusion in some workflows. It is widely used in materials science and battery, catalyst and semiconductor research to screen candidate materials computationally before running expensive lab synthesis, and is funded as open scientific infrastructure rather than sold commercially.
At a glance
| Vendor | Lawrence Berkeley National Laboratory (US DOE) |
|---|---|
| Pricing model | Free |
| Free tier | Yes |
| Deployment | Cloud |
| Open source | No |
| Best for | Materials scientists screening candidate compounds computationally before lab synthesis. |
Pricing
Free with API key registration; funded by the US Department of Energy.
Pricing has not been verified yet — see the vendor's site.
Features
- 150,000+ computed material property records
- DFT-derived electronic and structural data
- Web-based structure and property search
- Python API (pymatgen/MP API)
- Phase diagram and stability analysis
- Battery and catalyst screening tools
- Free registration-based access
Integrations
Profile last reviewed September 21, 2026