Materials Data Resources

General

• Materials Resource Registry allows for the registration of materials resources, bridging the gap between existing resources, software and repositories and end users.  The Materials Resource Registry functions as a federated service, making the registered information from multiple institutions available for research to the materials community.  https://materials.registry.nist.gov/
• NIST MaterialsData Repository is an effort to establish data exchange protocols and mechanisms to foster data sharing and reuse across a wide community of researchers, with the goal of enhancing the quality of materials data and models.  Dataresent on this system are varied and may originate from within NIST or from the worldwide materials community and may or may not be critically reviewed.  https://materialsdata.nist.gov/
• NIST Schema Repository and Registry is a service operated to improve discovery, access and reuse of materials-related schemas, data models, ontologies and more.  https://schemas.nist.gov/

Phase-Based

• TRC Alloy Data is a collection of published experimental thermophysical and thermochemical property data, including full provenance and critically evaluated uncertainties.  Data collection efforts focus on unary, binary, and ternary metallic systems.  API access is available upon request.  http://trc.nist.gov/metals_data
• PhaseData Repository contains a variety of zero-, one-, two-, and three-dimensional computational and experimental data.  The current focus is on diffusion data and multicomponent experimental data.  Data can be both downloaded and contributed.  https://phasedata.nist.gov/
• Interactive Diffusion Data is a collection of experimental and computational self and impurity diffusion data.  https://www.ctcms.nist.gov/~gkl/selfdiffusion.html
• High-Throughput Experimental Materials Collaboratory aims to make high-throughput experimentation (HTE) available to those who currently have no access to it, and further expand the availability of experimental datasets.  https://mgi.nist.gov/htemc

Atomistic

• Interatomic Potential Repository provides interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and applicability.  https://www.ctcms.nist.gov/potentials/
• JARVIS-FF provides data to evaluate classical force-fields for various applications.  It contains elastic constants, vacacy formation energies, surface energies and phonon evaluations for many different force-field types and all classes of materials.  https://www.ctcms.nist.gov/~knc6/periodic.html

DFT

• DFT BenchMarking is a resource that provides high-throughput density functional (DFT) calculations and data analytics tools to examine precision of DFT computed data for multiple materials and DFT codes.  https://materialsweb.org/nist_pages
• JARVIS-DFT contains density functional theory data for pure elements, 2-D, solar cell and thermoelectric materials.  For 2-D materials, bulk and single layer material properties are compared.  https://www.ctcms.nist.gov/~knc6/JVASP.html