Reference data

News and Updates

Woman uses gas analysis mass spectrometer at NBS for chemical analysis of gas or vapor mixtures

NIST Adds New 'Fingerprints' to Chemical Identification Database

June 17, 2020

The National Institute of Standards and Technology (NIST) has updated its database of chemical fingerprints, called mass spectra, that are used to identify

MML Releases Updated Phase Equilibria Diagram Database (NIST SRD31)

November 27, 2019

Version 4.4 of Phase Equilibria Diagrams (Standard Reference Database 31) is now available to the research community. The database provides maps of the

Dr. Nicole L. Ritzert is pictured in her ADA lab.

NIST Continues 1920s CRADA Partnership with the American Dental Association

August 1, 2019

The interagency research, which has led to dental products such as tooth-colored composites, the front surface dental mirror, the panoramic x-ray machine

Projects and Programs

Trusted AI framework for a new class of Standard Reference Materials and Data with exquisitely characterized uncertainty for billions of properties

A new collaboration between NIST's Human Genomics Team, Mass Spectrometry Data Center, and Information Technology Laboratory to use and develop artificial

Genome in a Bottle

Consortium hosted by NIST and JIMB dedicated to authoritative characterization of benchmark human genomes. Sign up for General GIAB and Analysis Team email

Gas properties for flow metering

Flow meters that rely on measuring the pressure drop across a laminar flow element can be accurately calibrated using a benign surrogate gas (such as helium or

The NIST Chemistry Webbook

The NIST Chemistry WebBook is a site on the Internet (http://webbook.nist.gov/) that provides convenient access to a variety of physical and chemical property

Publications

Simulation of Electron Spectra for Surface Analysis (SESSA)Version 2.2 User's Guide

March 2, 2021

Author(s)

Wolfgang Werner, Werner Smekal, Cedric J. Powell, Justin Gorham

Fifty Years of Reference Data

January 25, 2021

Author(s)

Allan Harvey, Donald Burgess

(Editorial introducing Volume 50 of the Journal of Physical and Chemical Reference Data)

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

November 12, 2020

Author(s)

Kamal Choudhary, Kevin F. Garrity, Andrew C. Reid, Brian DeCost, Adam J. Biacchi, Angela Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, Aaron Kusne, Andrea Centrone, Albert Davydov, Francesca Tavazza, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei Kalinin, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, David Vanderbilt, Karin Rabe

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using

A Reference High-Pressure CH4 Adsorption Isotherm for Zeolite Y: Results of an Interlaboratory Study

September 11, 2020

Author(s)

Huong Giang T. Nguyen, Christopher M. Sims, Blaza Toman, Jarod C. Horn, Roger D. van Zee, Mathias Thommes, Riaz Ahmad, Joeri F. Denayer, Gino V. Baron, Emilio Napolitano, Marek Bielewski, Enzo Mangano, Stefano Brandani, Broom Darren, M.J. Benham, Anne Dailly, Frieder Dreisbach, Satyannarayana Edubilli, Sasidhar Gumma, Jens Mollmer, Marcus Lange, Mi Tian, Tim Mays, T. Shigeoka, S. Yamakita, M. Hakuman, Y. Nakada, K. Nakai, Junyoung Hwang, Ronny Pini, Huan Jiang, Armin Ebner, Marjorie Nicholson, James Ritter, Judit Farrando Perez, Carlos Cuadrado, Joaquin Silvestre Albero, Christos Tampaxis, Theodore Steriotis, Daniela Rimnacova, Martina Svabova, Maryna Vorokhta, Hai Wang, Eric Bovens, Nicolas Heymans, Guy de Weireld

This paper reports the results of an international interlaboratory study led by the National Institute of Standards and Technology (NIST) on the measurement of

Software

ThermoML Opener

February 1, 2017

PurposeA tool for direct viewing of ThermoML files which include data and metadata. ThermoML files conform to the new XML-based ThermoML IUPAC standard