The National Institute of Standards and Technology has created a materials science data repository as part of an effort in coordination with the Materials Genome Initiative (MGI) to establish data exchange protocols and mechanisms that will foster data sharing and reuse across a wide community of researchers, with the goal of enhancing the quality of materials data and models. Data present on this system are varied and may originate from within NIST or from the worldwide materials community. Data present on this system may or may not be critically reviewed.

NIST provides this data as a public service and assumes no liability whatsoever for use of the data. NIST provides the data “AS IS” and makes NO WARRANTY OF ANY TYPE, EXPRESS OR IMPLIED, INCLUDING WITHOUT LIMITATION NO WARRANTY OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE OR USE, AND NO WARRANTY OF NON-INFRINGEMENT OF THIRD PARTY INTELLECTUAL PROPERTY RIGHTS. The individual data providers define how the data may be used and the terms of use associated with each data entry.

All data in this repository are intended to be public; some data may be a part of invitation-only collections while researchers continue to analyze the data prior to publication, with the goal of making the public data presentable in a meaningful way. Publishable data derived from working data will be made public at the appropriate time (this may coincide with end of a grant or when the data has been accepted for publication).

The NIST Materials Data Repository is open to the research community interested in developing best practices in the management of materials data. We are currently looking into use cases for expansion of the site including, but not limited to, partnerships with other projects focusing on discoverability.

Anyone having an interest in an invitation-only collection should contact the site administrator for more information.

  • Ws2-WTe2 

    Burton, Benjamin (2016)
    First principles phase diagram calculations, that included van der Waals interactions, were performed for the bulk transition metal dichalcogenide system (1-X)WS_2 - (X)WTe_2. To obtain a converged phase diagram, a ...
  • MoS2-MoTe2 

    Singh, Arunima; Burton, Benjamin
    A first principles phase diagram calculation, that included van der Waals interactions, was performed for the 3D bulk system (1−𝑋)·𝑀𝑜𝑆2−(𝑋)·𝑀𝑜𝑇𝑒2. Surprisingly, the predicted phase diagram has at least two ordered ...
  • Use of spherical nanoindentation protocols to study the anisotropic mechanical response of alpha-beta single colonies in Ti-6Al-4V alloy 

    Mohan, Soumya; Pilchak, Adam L.; Kalidindi, Surya R.
    The recently developed spherical nanoindentation stress-strain protocols were employed in this study to investigate systematically the anisotropic elastic and yield response of the α-β single colonies in a Ti-6Al-4V alloy. ...
  • Cubic crystal compounds - Jarvis DFT 

    Kaundinya, Prathik
    This is the dataset of materials obtained from the Jarvis-DFT dataset and used for the study "Machine learning approaches for feature engineering of the crystal structure: Application to the prediction of the formation ...
  • HMX microstructural data of beta, delta, and beta-reversion 

    Cummock, Nicholas
    X-ray computed tomography of large HMX crystals, and scanning electron microscopy of focused ion beam milled/polished small HMX crystals of varying solid phases.

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