Reference data

News and Updates

Latest Values of Fundamental Constants Published

July 13, 2021

Four scientists from the National Institute of Standards and Technology (NIST) have reported the latest values for the fundamental constants of nature on June

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

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

Inorganic Phase Equilibrium Data

Compile and evaluate phase equilibrium data for NIST Standard Reference Database 31 (Phase Equilibria Diagrams); disseminate the data in a readily accessible

Electron Ionization Library Component of the NIST/EPA/NIH Mass Spectral Library and NIST GC Retention Index Database

The National Institute of Standards and Technology (NIST) has developed and maintains evaluated libraries of reference data for the identification of chemicals

Publications

CODATA Recommended Values of the Fundamental Physical Constants: 2018

June 30, 2021

Author(s)

Eite Tiesinga, Peter Mohr, David B. Newell, Barry Taylor

We report the 2018 self-consistent values of constants and conversion factors of physics and chemistry recommended by the Committee on Data of the Interna-

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 Garrity, Andrew C. Reid, Brian DeCost, Adam Biacchi, Angela R. 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

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