Skip to main content
. 2020 Jun 22;2(8):3115–3130. doi: 10.1039/d0na00388c

An overview of some of the most authoritative databases in material science.

Title Website address Brief introduction
AFLOWLIB http://www.aflowlib.org A global database of 3 249 264 material compounds and over 588 116 784 calculated properties
ASM Alloy Database https://www.asminternational.org/materials-resources/online-databases An authoritative database focusing on alloys, mechanical and alloy phases, and failed experiment data
Cambridge Crystallographic Data Centre http://www.ccdc.cam.ac.uk It focuses on structural chemistry and contains over 1 000 000 structures
ChemSpider http://www.chemspider.com A free chemical structural database providing fast searching access to over 67 000 000 structures
Harvard Clean Energy Project http://cepdb.molecularspace.org/ A massive database of organic solar cell materials
High Performance Alloys Database https://cindasdata.com/products/hpad This high performance alloy database addresses the needs of the chemical processing, power generation and transportation industries
Materials Project https://materialsproject.org/ It offers more than 530 000 nanoporous materials, 124 000 inorganic compounds and power analysis tools for researchers
NanoHUB https://nanohub.org/resources/databases An open source database focusing on nanomaterials
Open Quantum Materials Database http://oqmd.org/ It contains substantial amounts of data on the thermodynamic and structural properties of 637 644 materials
Springer Materials http://materials.springer.com A comprehensive database covering multiple material classes, properties and applications