Materials science resources

Databases

• Automatic Defect Analysis and Qualification (ADAQ) Database, Linköping University, Sweden
  Free
• Automatic FLOW for Materials Discovery (AFLOW), Duke University, USA
  Free for scientific, academic and non-commercial purposes
• Computational Materials Repository (CMR), Technical University of Denmark, Lyngby, Denmark
  A number of databases
  Open (CC BY-SA 4.0)
• Crystallography Open Database (COD), University of Cambridge, UK
  Crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers
  Open (CC0 1.0)
• Cambridge Structural Database (CSD), Cambridge Crystallographic Data Centre, UK
  The largest curated crystal structure database
  Free access to individual structures, subscription-based access to search
• Environmental Performance in Construction (EPiC), The University of Melbourne, Australia
  Free download
• Hard-coating Alloys DataBase (HADB) Database, Linköping University, Sweden
  FAIR
• High Throughput Experimental Materials Database (HTEM DB), The National Renewable Energy Laboratory, USA
  Collection of computed properties of stoichiometric and fully ordered materials
  Open
• Index of Natural Zeolites, the International Zeolite Association (IZA)
  Free
• Materials Cloud, Swiss and EU consortium
  Sharing and dissemination of resources in computational materials science
  FAIR
• Materials Commons 2.0, U.S. Department of Energy, USA
  A site for materials scientists to collaborate, store and publish research
  Open, registration required
• Material Data Center, Altair Engineering GmbH
  Closed (subscription-based), some free info available
• The Materials Data Facility (MDF), University of Chicago & Argonne National Laboratory, USA
  Open, registration required
• Materials Platform for Data Science (MPDS), Switzerland
  Based on Pauling File. Closed. Free trial access
• Materials and Products Database, Fire Safety Research Institute (FSRI), USA
  Repository of materials and products properties and fire test data
  Free access
• Material Properties Open Database (MPOD), Centro de Investigación en Materiales Avanzados (CIMAV), Mexico
  Free
• The Materials Project, Berkeley Lab, USA
  Open (CC BY 4.0), registration required
• The Materials Provenance Store (MPS), Caltech, USA
  Metadata and experimental provenance from synthesis to measurement of primarily metal oxide solid state materials resulting from high throughput experiments
  Open (a PostgreSQL dump)
• MatWeb, searchable database of material properties, MatWeb LLC, USA
  Free data. Premium Services available
• MEMSnet Materials Database, MEMS and Nanotechnology Clearinghouse, USA
  Properties of some materials
• Micrograph Library, University of Cambridge, UK
  A collection of materials micrographs intended for use in teaching and learning
  Open (CC BY-NC-SA 4.0)
• Mindat.org, Hudson Institute of Mineralogy, USA
  The world’s largest open database of minerals, rocks, meteorites and the localities they come from
  Open
• NIMS Materials Database, National Institute for Materials Science, Japan
  Registration required
  • Computational Electronic Structure Database (CompES-X)
    
  • Computational Phase Diagram Database (CPDDB)
    
  • Diffusion Database (Kakusan)
    
  • Inorganic Material Database (AtomWork)
    Both free and paid (AtomWork-Adv) service
  • Polymer Database (PoLyInfo)
  • Thermophysical Property Database
• NIST Resources, The National Institute of Standards and Technology, USA
  
  • Configurable Data Curation System (CDCS)
  • Inorganic Crystal Structure Database (ICSD)
    Closed (subscription-based)
  • Joint Automated Repository for Various Integrated Simulations (JARVIS)
  • Materials Genome Initiative
  • Metals Alloy
  • Standard Reference Data
    Both free, web interface SRD and fee-based SRD
    • High Temperature Superconducting Materials (HTS)
    • Property Data Summaries for Advanced Materials
    • Structural Ceramics Database (SCD)
• The Novel Materials Discovery (NOMAD), Berlin, Germany
  Computational materials science repository
  FAIR
• NREL Materials Database (NRELMatDB), The National Renewable Energy Laboratory, USA
  Collection of computed properties of stoichiometric and fully ordered materials
  Open
• Open Databases Integration for Materials Design (OPTIMADE)
  The international consortium aiming to make materials databases interoperable by developing a specification for a common REST API
  Open
• Open Materials Database, Sweden
  A database of materials properties maintained by the developers of the High-Throughput Toolkit (httk)
  Open
• Open Quantum Materials Database (OQMD), Northwestern University, USA
  DFT calculated thermodynamic and structural properties of > 1,000,000 materials
  Open (CC-BY 4.0)
• Organic Materials Database (OMDB), Nordita, Sweden
  Calculated electronic structures for various organic and organometallic materials
  Open only for academic users (registration required)
• The Perovskite Database Project, Helmholtz Zentrum Berlin, Germany
  A database and analysis tool for perovskite solar cells
  FAIR (CC BY 4.0), registration required
• Polymer Property Predictor and Database, Chicago, USA
  Open
• Polymer Scholar 2.0, Georgia Institute Of Technology, USA
  Polymer properties extracted from full text journal articles
  Free, registration required
• Powder Diffraction File™ (PDF^®), International Centre for Diffraction Data (ICDD), USA
  Closed (subscription-based)
• RRUFF – Comprehensive Database of Mineral Data
  Empirical analyses of minerals, including cell parameters, chemistry, Raman and IR spectroscopy, photos and references
  Open
• SpringerMaterials, Springer Nature Switzerland AG
  Closed (subscription-based)
• Pauling File: Inorganic Materials Database, Switzerland/Ukraine/Germany/Italy
  Closed
• Topological Materials Database, France/Germany/Spain
  Open
• WolframAlpha Examples: Materials, USA
  Free examples
• The Wood Database by Eric Meier
  Free access
• Webmineral: Mineralogy Database by David Barthelmy, USA
  Contains 4,714 individual mineral species descriptions with links and a comprehensive image library
  Free access. Database last updated 2012

Ontologies

• Additive Manufacturing Ontology (AMontology), NIST, USA
• The Elementary Multiperspective Material Ontology (EMMO), European Materials Modelling Council, Europe
  • Atomistic Ontology
    Domain ontology for atomistic and electronic modelling
  • Battery Interface Ontology (BattINFO)
    A semantic resource for describing knowledge about batteries
  • Battery Value Chain Ontology (BVCO)
    It aims to model processes along the Battery value chain. Based on GPO and EMMO
  • Characterisation Methodology Domain Ontology (CHAMEO)
  • Crystallography Domain Ontology
    A crystallography domain ontology based on EMMO and the CIF core dictionary implemented as a formal language
  • Crystallographic Information Framework Core Dictionary (CIFCore)
    A ontologisation of the CIF Dictionary Definition Language (DDLm) and the CIF core dictionary by IUCr
  • Mechanical Testing Ontology
    A domain ontology for mechanical testing
  • Open Innovation Environment (OIE) Ontologies
    Open Innovation Environment (OIE) domain ontologies
• General Process Ontology (GPO), Fraunhofer ISC, Germany
• Molecules And Materials Basic Ontology (MAMBO), Consiglio Nazionale delle Ricerche (CNR), Italy
• Materials Data Science and Informatics Ontologies, Forschungszentrum Jülich GmbH, Germany
• Crystallographic Defect Core Ontology (CDCO)
• Computational Material Sample Ontology (CMSO)
• Dislocation Ontology (DISO)
• Line Defect Ontology (LDO)
• Planar Defect Ontology (PLDO)
• Point Defect Ontology (PODO)
• PRovenance Information in MAterials science (PRIMA) Ontology
• Materials Data Science Ontology (MDS-Onto), Case Western Reserve University, USA
• Materials Design Ontology (MDO), Linköping University, Sweden
• Materials Mechanics Ontology (MMO), Germany
• Material Properties Ontology, Universidad Politécnica de Madrid, Spain
  Vocabulary to describe the building components, materials, and their corresponding properties, relevant in the construction industry
• Materials Science and Engineering Ontology (MSEO), Materials Open Laboratory, Germany
• Materials Vocabulary (MatVoc), Germany
• NFDI MatWerk Ontology (MWO), Nationale Forschungsdateninfrastruktur, Germany
• OntoCAPE, RWTH Aachen University, Germany
  A large-scale ontology for the domain of Computer Aided Process Engineering (CAPE)
• The Platform MaterialDigital core ontology (PMDco), Germany
  A mid-level ontology for materials science and engineering
• PoLyInfo Ontology, NIMS, Japan
  Ontology used in Polymer Database (PoLyInfo)