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SRD Catalog

NIST develops and produces free, web interface SRD and develops and sells fee-based SRD. The SRD databases may include data from the literature, NIST research, or both, all critically evaluated by NIST. The databases are listed below by number reflecting the order in which they were released. Some of the databases have been developed in partnership with other organizations.

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NIST/EPA/NIH Mass Spectral Library with Search Program

This database is the product of an ongoing comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.  Read More

SRD 1C NIST Libraries of Peptide Fragmentation Mass Spectra Database

NIST peptide libraries are comprehensive, annotated mass spectral reference collections for various organisms and proteins useful for the rapid matching and identification of acquired tandem mass spectrometry (MS/MS) spectra. Read More
SRD 3 NIST Inorganic Crystal Structure Database (ICSD)  SRD 3

Materials discovery and development necessarily begins with the preparation and identification of product phase(s).  Crystalline compounds can be identified by their characteristic diffraction patterns using X-rays, neutrons, and or electrons.  An estimated 20,000 X-ray diffractometers and a comparable number of electron microscopes are used daily in materials research and development laboratories for this purpose.  Read More
SRD 4 NIST Thermophysical Properties of Hydrocarbon Mixtures Database

SUPERTRAPP is an interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components.  Read More

NIST XCOM:  Photon Cross Sections Database  

This database can be used to calculate photon cross-sections for scattering, photoelectric absorption and pair production, and total attenuation coefficients, for any element, compound, or mixture (Z ≤ 100), at energies from 1 keV to 100 GeV. Read More

SRD 10 NIST/ASME Steam Properties Database 

The thermodynamic properties of water, based on international standards over a wide range of conditions, are presented in this database. Read More
SRD 13 NIST–JANAF Thermochemical Tables

This database provides tables of enthalpies (H) and Gibbs energies of formation (G) for more than 1,000 chemical species in solid, liquid, and gas phases. Changes in H and G can be predicted for any reactions among the chemical species. Read More
SRD 20 NIST X-ray Photoelectron Spectroscopy Database 
This database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron spectral lines, and is searchable by element, line type, line energy, and many other variables. Read More
SRD 23 NIST Reference Fluid Thermodynamic and Transport Properties Database  

REFPROP is an acronym for REFerence fluid PROPerties. This program calculates the thermodynamic and transport properties of industrially important fluids and their mixtures. Read More
SRD 30 NIST Structural Ceramics Database 

This database provides physical properties for major series of compounds derived from the ceramic oxide, carbide, nitride, boride, and oxynitride chemical families used for structural applications such as heat exchangers and engines. Read more
SRD 31 ACerS−NIST Phase Equilibria Diagrams Database 

This database is the result of a long-standing collaboration between NIST and The American Ceramic Society to develop and maintain a state-of-the-art database of phase equilibria data. Read More
SRD 35 NIST/EPA Gas-Phase Infrared Database JCAMP Format 

This database contains more than 5200 infrared spectra of different compounds along with chemical structures for most of them.  Read More
SRD 40 NDRL/NIST Solution Kinetics Database  

This database enables determination of kinetics data on solution-phase reactions through a search form in which reactant(s), product(s), and/or solvent(s) are inputted. Read More
SRD 49 NIST Vapor Compression Cycle Design Program: CYCLE_D  

CYCLE_D simulates vapor compression refrigeration cycles that use single-compound refrigerants or refrigerant blends for 70 single-compound refrigerants and 97 predefined blends. Read More
SRD 60 NIST ITS-90 Thermocouple Database 

This database contains reference functions and tables of thermocouple electromotive force versus temperature for the eight letter-designated thermocouple types: noble-metal types B, R, and S; and base-metal types E, J, K, N, and T. Read More
SRD 62

NIST High Temp. Superconducting Materials (HTS) Database 

Thermal, mechanical, and superconducting property data for oxide superconductors, e.g.,compounds derived from the Y-Ba-Cu-O, Bi-Sr-Ca-Cu-O, Tl-Sr-Ca-Cu-O, and La-Cu-O chemical families, are provided in this database. Read More

SRD 64 NIST Electron Elastic-Scattering Cross-Section Database

This database provides values of differential elastic-scattering, total elastic-scattering, and transport cross-sections for elements with atomic numbers from 1 to 96 needed for quantitative analysis by Auger-electron spectroscopy, X-ray photoelectron spectroscopy, electron microprobe analysis, and analytical electron microscopy. Read More
SRD 66 NIST X-ray Form Factor, Attenuation and Scattering Tables

X-ray form factors, attenuation, and scattering tables are widely used in the UV, X-ray and γ-ray communities. In this database, the primary interactions of x-rays with isolated atoms from Z = 1 (hydrogen) to Z = 92 (uranium) are described and computed. Read More
SRD 69 NIST Chemistry WebBook

The Chemistry WebBook provides internet access to a variety of physical and chemical property data on well-defined chemical species and reactions. Read More
SRD 71  NIST Electron Inelastic-Mean-Free-Path Database

This database provides values of electron-inelastic mean free paths for elements, inorganic compounds, and organic compounds that are used in quantitative surface analyses by Auger-electron spectroscopy and X-ray photoelectron spectroscopy. Read More
SRD 73 REFLEAK: NIST Leak/Recharge Simulation Program for Refrigerant Blends

REFLEAK estimates composition changes of zeotropic mixtures in leak and recharge processes in industrial applications such as distillation, refrigeration, and cleaning processes. Read More
SRD 74 NIST Thermodynamics of Enzyme Catalyzed Reactions Database

This SRD contains thermodynamic data for enzyme-catalyzed reactions that are searchable via a novel rule and root based algorithmic method. Read More
SRD 78 NIST Atomic Spectra Database

The renowned Atomic Spectra Database contains data for radiative transitions and energy levels in atoms and atomic ions for most of the known chemical elements. Laser Induced Breakdown Spectroscopy data are included. Read More
SRD 81 NIST Heat Transmission Properties of Insulating and Building Materials 

Heat transmission properties—thermal conductivity, resistivity, conductance, and resistance—for building materials and thermal insulation are provided in this database. Read More
SRD 82 NIST Electron Effective-Attenuation-Length Database

This database provides values of electron-effective attenuation lengths in solid elements and compounds at selected electron energies for surface analysis by Auger-electron spectroscopy and X-ray photoelectron spectroscopy. Read More
SRD 83 NIST Structural Database

The NIST Structural Database contains crystallographic and atomic position information for metallic crystalline substances, including alloys, intermetallics, and minerals. Read More
SRD 84 FIZ/NIST Inorganic Crystal Structure Database (ICSD) 

The ICSD is a comprehensive collection of crystal structure data of inorganic compounds that contains more than 120,000 entries and covers the literature from 1913 to the present.   Read More
SRD 100 NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA)

SESSA can be used to simulate Auger-electron spectroscopy and X-ray photoelectron spectroscopy spectra of multilayer thin films and nanostructures such as islands, lines, and spheres on surfaces. Read More
SRD 101 NIST Computational Chemistry Comparison and Benchmark Database

This database contains experimental and computed (quantum mechanics) thermochemical data for a selected set of nearly 1,900 gas-phase atoms and small molecules. Read More
SRD 103a NIST ThermoData Engine - Pure Compounds

The NIST/TRC SOURCE data archival system is used in conjunction with the ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data for approximately 23,000 pure compounds. Read More
SRD 103b NIST ThermoData Engine - Pure Compounds, Binary Mixtures and Reactions 

The NIST/TRC SOURCE data archival system,is used in conjunction with the ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data for pure compounds, binary and ternary mixtures, and chemical reactions.   Read More
SRD 106 IUPAC/NIST Solubility Data Series

This data, extracted from the IUPAC–NIST Solubility Data Series, contains more than 67,500 entries of mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems. Read More
SRD 107 NIST Electron-Impact Cross Section for Ionization and Excitation 

This database provides total ionization cross-sections of molecules by electron impact, cross-sections for some atoms, and energy distributions of ejected electrons for H, He, and H2. Read More
SRD 108 NIST Handbook of Basic Atomic Spectroscopic Data

This handbook provides a selection of the most important and frequently used atomic spectroscopic data, including neutral and singly-ionized atoms of the elements hydrogen through einsteinium (Z = 1 to 99). Read More
SRD 111 NIST Ground Levels and Ionization Energies for the Neutral Atoms

Ground levels and ionization energies for the neutral atoms are included in this database. Read More
SRD 112 NIST Ultraviolet Spectrum of a Platinum Lamp 

The spectrum of a platinum hollow-cathode lamp containing neon carrier gas was recorded photographically and photoelectrically to determine the wavelengths and intensities for about 5600 lines in the region 1130 Å to 4330 Å. Read More
SRD 114 NIST Diatomic Spectral Database

This database provides tables of rotational spectral lines for 121 diatomic molecules. The isotopic molecular species, assigned quantum numbers, and observed frequency for each transition are reported, along with derived molecular properties. Read More
SRD 115 NIST Hydrocarbon Spectral Database

Rotational spectral lines for 91 hydrocarbon molecules are provided in this database. The isotopic molecular species, assigned quantum numbers, and observed frequency for each transition are reported, along with derived molecular properties. Read More
SRD 116 NIST Observed Interstellar Molecular Microwave Transitions Database 

This database provides tabulated transition frequencies for the molecular transitions detected in interstellar and circumstellar clouds and are recommended for reference in future astronomical observations in the cm and mm wavelength regions. Read More
SRD 117 NIST Triatomic Spectral Database

Rotational spectral lines for 55 triatomic molecules are provided in this database. The isotopic molecular species, assigned quantum numbers, and observed frequency for each transition are reported, along with derived molecular properties. Read More
SRD 118 NIST Wavenumbers for Calibration of IR Spectrometers

The atlas and wavenumber tables in this database consist of spectral maps accompanied by tables of transition wavenumbers and their identity for five molecules: CO, OCS, N2O, NO, and CS2. Read More
SRD 119 NIST Photoionization of CO2 (ARPES) Database

This database provides vibrational branching ratios and asymmetry parameters for CO2 determined using synchrotron radiation in the wavelength region of 650 Å to near the ionization onset at about 840 Å. Read More
SRD 120 NIST Radionuclide Half-Life Measurements Database

The half-lives of 63 radionuclides measured by NIST are provided in this database. Read More
SRD 121 CODATA Internationally Recommended 2014 Values of the Fundamental Physical Constants 

This database reports the CODATA-NIST internationally recommended 2014 values of the Fundamental Physical Constants, and correlation constants between any pair of constants. Read More
SRD 124 NIST Stopping-Power & Range Tables for Electrons, Protons, and Helium Ions  

The databases ESTAR, PSTAR, and ASTAR calculate stopping-power and range tables for electrons in any user-specified material and for protons and helium ions in 74 materials. Read More
SRD 126 Tables of X-Ray Mass Energy-Absorption Coefficients and Mass Attenuation Coefficients

Tables and graphs of the photon mass attenuation coefficient μ/ρ and the mass energy-absorption coefficient μen/ρ are presented for the elements Z = 1 to 92 and for 48 compounds and mixtures of radiological interest over the photon energy range. Read More
SRD 128 NIST X-ray Transition Energies Database

This x-ray transition table provides the energies for K transitions and L transitions for the elements Z = 10 (neon) to Z = 100 (fermium). Read More
SRD 137 NIST Fracture Toughness / Fracture Energy Data for Oxide Glass

This database provides values of fracture toughness and fracture energy for borate, germanate, phosphate, and silicate base glasses. Read More
SRD 138 NIST Fracture Toughness / Fracture Energy Data for Ceramics 

Fracture toughness and fracture energy values for 52 ceramic materials, including oxides, nitrides, carbides, fluorides, silicon, graphite, and diamond, are provided in this database. Read More
SRD 140 NIST Statistical Reference Datasets

This database contains datasets with certified values for assessing the accuracy of software for univariate statistics, linear regression, nonlinear regression, and analysis of variance. Read More
SRD 141 NIST Atomic Reference Data for Electronic Structure Calculations

Total energies and orbital eigenvalues for the atoms hydrogen through uranium, as computed in several standard variants of density-functional theory, are presented in this database. Read More
SRD 142 NIST Energy Levels of Hydrogen and Deuterium Database

This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. Read More
SRD 147 NIST Ionic Liquids Database - ILThermo

ILThermo is a database of chemical and physical properties of ionic liquids searchable by means of the ions constituting the ionic liquids, the ionic liquids themselves, their properties, and references. Read More
SRD 150 NIST Property Data Summaries for Advanced Materials

This database provides physical characteristics (crystallography data, density), mechanical properties (elastic moduli, strength, hardness, toughness, creep, wear), and thermal properties (specific heat, diffusivity, conductivity, expansion) for advanced materials. Read More
SRD 154 NIST Backscattering-Correction-Factor Database for Auger Electron Spectroscopy
This database contains values of backscattering correction factors of homogeneous materials for quantitative surface analyses by Auger electron spectroscopy.
Read More
SRD 156 NIST Clathrate Hydrate Physical Property Database

Thermodynamic and crystallographic properties of gas hydrates searchable by compound, citation, and property are provided in this database. Read More
SRD 160 NIST FLYCHK Modelling Database

FLYCHK provides a suite of models and codes capable of generating atomic level populations and charge state distributions for low-Z to mid-Z elements under non-local thermodynamic equilibrium conditions. Read More
SRD 161 NIST Spectrum of Th-Ar Hollow Cathode Lamps

This atlas presents observations of the spectra of Th-Ar hollow cathode lamps at currents ranging from 20 mA to 320 mA. A list of the spectral lines in each region is included for use as reference wavelengths for the calibration of high-resolution spectrographs. Read more
SRD 164 NIST Database of Cross Sections for Inner-Shell Ionization by Electron or Positron Impact

This database provides cross-sections for ionization of the K shell and of the L and M sub-shells in neutral atoms of the elements, from hydrogen to einsteinium, by electron and positron impact. Read More
SRD 165 NIST Cell Image Database

This database contains results of controlled cell image experiments on A-10 rat smooth muscle and NIH-3T3 mouse fibroblasts. A novel rule- and root-based method is used to generate experimental metadata. Read More
SRD 166 NIST MEMS Calculator

MEMS Calculator determines residual strain, strain gradient, step heights and thicknesses, and in-plane lengths and deflections of thin films from data taken with an optical interferometer or comparable instrument. Read More

SRD 173

NIST Standard Reference Simulation Website

This database provides well-documented simulation results for reliable and well-vetted simulation software for a variety of systems that may be used to validate and test new or existing molecular simulation software. Read More
SRD 202 NIST Web Thermo Tables (WTT) - Lite Edition

Web Thermo Tables - Lite provides access to a collection of thermodynamic property data for 150 commonly-used pure compounds with a primary focus on organics. Read More
SRD 203 NIST Web Thermo Tables (WTT) - Professional Edition

Web Thermo Tables - Professional Edition contains thermodynamic data on 23399 compounds and includes some non-molecular species such as radicals and organic salts. Read More

SRD 204

NIST Polycyclic Aromatic Hydrocarbon Structure Index Database

This database provides the following information for hundreds of polycyclic aromatic hydrocarbon molecules: compound information, 3d models, thermochemistry, and UV-Vis spectra. Read More
SRD 206

Combustion Calorimetry Tool

Combustion calorimetry is the main method for the determination of enthalpies of formation for organic compounds. Read more

Created March 15, 2012, Updated November 13, 2019