Materials Data Platform




Very Brief Description

NIMS Materials Database


NIMS, Japan

(Hidehiro Onodera) 


Database : polymer, inorganic materials, computational phase diagram, computational electronic structure, radioactive substance,neutron transmutation, interfacial thermal conductance, diffusion, superconducting materials, creep data, fatigue data, corrosion data, space materials, microstructure of crept materials, metallic materials, materials risk, CCT diagram, FGMS

Simulators : Composite Design & Property Prediction System, Polymer Property Prediction System, Metal Segregation Prediction System, Interface Bonding Prediction System, Weld Thermal History Simulator

Materials Measurement Lab. Repository


Materials Measurement Lab., NIST, USA

Portal of NIST Repositories

ASM Structural Materials Data Demo, Bell Test Data, CHiMAD Collections, Comp. File Repository, Exp. Data Repository, Genome in a Bottle, Heusler Phases: FP simulations, ICME Approach: Lightweight 3GAHSS Vehicle Assembly, ICME of Carbon Fiber Composite, MGI Catalogs, NanoRelease, NIST/DOE-EERE Advanced Automotive
Cast Mg Alloys
, NIST Thermodynamics and Kinetics Test Space, Porous Metals and Ceramics, RDA Demo (DTR/PID & MGI Infrastructure), Synchrotron Studies of Slot Die Coated films,
Thermal conductivity of CVD diamond- DARPA RR test

TMS Springer Integrating Materials and Manufacturing Innovation.

NIST Materials Resource Registry

(MR Registry)


This system allows for the registration of materials resources, bridging the gap between existing resources and the end users. The Materials Resource Registry functions as a centrally located service, making the registered information available for research to the materials community.(2016.2. Alpha version)

Computational Materials Data Network

(CMD Network)


CMD Network—founded by ASM International—supports, facilitates, and promotes the collection, dissemination, and management of materials data. Information sharing platform in the materials community with vairous DB projects

Granta Materials Intelligence


Search Engine for professional materials information based on Materials Data Network (ASM + NIMS + ….)

Materials Property Data


Automation Creations Inc.

(Contact form)

Searchable database of materials properties: polymer, metals & ceramics

Data export to CAD/FEA Programs


(Materials Center)


Materials DB: Metals, Chemical Materials, Ceramics, Textiles

Crystal Database and Properties

Baikov Institute of Metallurgy and Materials (Russian Academy of Science)


Crystal DB on inorganic crystals with acousto-optical, electro optical and nonlinear optical properties

Pauling File

Institute of Crystallography, ETH-Zurich

(Pierre Villars) 

Phase diagrams + crystal structure + physical properties of inorganic compounds

Alloy Phase Diagram DB

ASM International

More than 36,500 binary and ternary phase diagrams and associated phase data for more than 6200 systems

Chemical Property Database

(Mol Instincts)

Chemessen, Inc.



Database containing property data and molecular information of chemical compounds for industrial applications

Nano Materials Registry

RTI International


Nano-bio interaction data

Sponsored by NIH

Open Quantum Materials Database


Northwestern Univ., USA

(Chris Wolverton)


Database DFT calcualted thermodynamic and structural properties

Machine Learning Platform


Northewestern Univ., USA

Standalone software

Novel Materials Discovery Repository


NoMAD COE @ FHI, Gernany

 (Matthias Scheffler)

Repository of ab initio electronic structure data form DFT theory and methods beyond. Plan to include experimental data [movie]

The NOMAD Laboratory


NoMAD COE @ FHI, Gernany

 (Matthias Scheffler)

Develops a materials encyclopedia and big-data analytics and advanced graphics tools for mateiral science and engineering

The Materials Project


(Kristin Persson)

Web-based access to computed information on known and predicted materials + powerful analysis tools

NREL Materials Database (NRELMatDB)


(Peter Graf)

Computational Materials DB : focus on materials for renewable energy applications (Photovoltaic, Photo-electrochemical water splitting, thermoelectrics etc.)

Thermoelectrics Design Lab
(TEDesign LAB)

Colorado School of Mines, UC, Northwestern U. USA

(Eric Toberer)

DB of computational and experimental properties of thermoelectrical materials + informatics tools [pdf]

Materials Implementation, Data, Analysis



webpage yet to open (2016.2)

easy-to-use and comprehensive common source for material properties including both experimental data and models and their parameters.

Computational Materials Knowledgebase


Univ. Connecticut

(R. Ramprasad / Chiho Kim)

Classified and tagged materials information obtained by quantum mechanical calculations that numerically and visually demonstrate the property. Provide simulation methods in detail.

Materials Data Facility (MDF)

NIST, U. Chicago, UIUC, ANL, USA

Scalable repository where materials scientists can publish, preserve and share research data based on Globus Connect

Computational Materials Repository


Technical University of Denmark, CAMD 

(Karsten Wedel Jacobsen)

Result of collaboration under the Quantum Materials Informatics Project (QMIP) based on Atomisic Simulation Environment (ASE).

Research Data Management


U. Chicago


Research Data Management System

Globus for Researchers, Globus for Resource Providers, Globus Connect, Globus Platform, Globus Toolkit

Public Materials Property Data Platform


Private Start-up Company

of Data Extraction & Machine Learning Technique

(Bryce Megedig)

Public Materials and Chemical Data (These are data that users have contributed or Citrine has automatically extracted from literature.)

Granta Material Intelligence


Cambridge Spin-off Materials Information

Granta MI System

Compute and Data Environment for Science (CADES)


(Barney Maccabe)

Bellerophon Environment for Analysis of Materials



(Alexei Belianinov)


Real time data analysis
Robust data management
Multi-tier architecture


(commercial DB) 

Comprehensive resource of compiled information about the properties of materials that is critically reviewd and presented in an online format. [pdf]

  • The Landolt-Börnstein Database
  • The Linus Pauling Files
  • A subset of the Dortmund Databank of Software and Separation Technology
  • The Adsorption Database
  • Polymer Thermodynamics Database
  • MSI Database
  • Also includes synthesis information from external DB like SPRESI
  • Contains SpringerMaterials Handbooks

Inorganic Crystal Structure Database


FIZ Karlsruhe, Germany

(Wendelin Detemple)

Fully identified Inorganic crystal structure DB since 1913. 185,000 crystal structures taken from scientific journals and other sources.

Automatic Flow for Materials Discovery Library

(AFLOW Lib.)

AFLOW Consortium, Duke Univ., USA

(Stefano Curtarolo)

AFLOW ditributed materials property repository. Globally available database of 1,443,258 material compounds with over 129,893,220 calculated properties.

Alloy Database

Widom Research Group at Carnegie Mellon University, USA

(Michael Widom)

Alloy structure and cohesive energy database based on electron density functional calculations using VASP (Not Active)

Computational Chemistry Comparison and Benchmark DataBase




Experimental and computed (quantum mechanics) thermochemical data for a selected set of 1799 gas-phase atoms and small molecules. Tools for comparing experimental and computational ideal-gas thermochemical properties.

Clean Energy Project DB


Harvard Clean Energy Project


Data warehouse for the Harvard Clean Energy project.

Information repository on molecular semiconductors for organic photovoltaics (OPV) and other electronics applications

Electronics Structure Project


Electronic Structure Project @ Uppsala University, Sweden


Electonics structures of 60,000 compounds

A full-potential linear muffin-tin orbital (FP-LMTO) implementation of FT within LDA

Prediction of Bi2SeTe2 topological insulator 

not so active


UC Davis, USA

(F. Gygi)

A framework to facilitate the verification and comparison of Electronic Structure codes like Qbox, Quantum Espresso, Siesta, ABINIT, and The Exciting Code.

Not so active, Just small DB

Materials DB


 A material selection tool for every step in the design and engineering process and a place where demand and supply find the perfect match