U.S. flag

An official website of the United States government

Dot gov

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Https

Secure .gov websites use HTTPS
A lock () or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

  1. Home

Dataset Search

Search results

32 results found

NIST Inorganic Crystal Structure Database (ICSD)

Data provided by  National Institute of Standards and Technology

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.

Tags: chemical structures,crystallography,crystal structures,diffraction,disorder,electrons,identification,inorganic,neutrons,magnetic,metals,minerals,materials,Rietveld,synchrotron,twinned,x-rays,Advanced Materials,manufacturing,Safety,Security and Forensics,

Modified: 2022-07-29

Views: 0

FIZ/NIST Inorganic Crystal Structure Database (ICSD) - SRD 84

Data provided by  National Institute of Standards and Technology

The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe (FIZ) and the National Institute of Standards and Technology (NIST). Components and devices used in a broad spectrum of technology sectors such as health care, communications, energy and electronics are manufactured from crystalline materials; the development of advanced crystalline materials requires accurate crystal-structure data.

Tags: Rietveld profiles,X ray crystallography,X ray diffraction,X rays,XRD,absolute configurations,chemical structures,crystal data,crystal structures,crystallography,crystals,defect structures,diffraction,disorders,electron diffractions,electrons,identification,inorganic,inorganic structures,magnetic structures,materials,metals,mineral names,minerals,mixed crystal solid solutions,mixed crystals,modulated structures,neutron diffractions,neutrons,nuclear magnetic resonance,polytype structures,powder simulations,power,powers,prediction,simulations,single crystals,structure predictions,structures,synchroton radiations,twinned crystals,visualizations,x ray diffractions,

Modified: 2022-07-29

Views: 0

NIST Thermophysical Properties of Hydrocarbon Mixtures Database- SRD 4

Data provided by  National Institute of Standards and Technology

SUPERTRAPP is an interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The components are selected from a database of 210 components, mostly hydrocarbons. SUPERTRAPP performs phase equilibria calculations and gives the thermophysical properties of all phases and the feed.

Tags: Lennard Jones,butenes,chemical engineering,chemistry,equations of state,flash calculations,fluids,gaseous,gases,hydrocarbons,liquidus,mixtures,natural gases,petrochemicals,phase equilibria,physics,supercritical fluids,thermo chemistry,thermo physical,thermochemical data,thermodynamic data,thermodynamic properties,thermodynamics,thermophysics,transport properties,transport property data,

Modified: 2022-07-29

Views: 0

NIST XCOM: Photon Cross Sections Database - SRD 8

Data provided by  National Institute of Standards and Technology

A web database is provided which can be used to calculate photon cross sections for scattering, photoelectric absorption and pair production, as well as total attenuation coefficients, for any element, compound or mixture (Z http://physics.nist.gov/PhysRefData/Xcom/html/xcom1.html.

Tags: X rays,Xrays,bremsstrahlung,electron pair productions,elements,energies,gamma rays,mixtures,nuclear pair productions,nuclear physics,photons,physics,total attenuation coefficients,

Modified: 2022-07-29

Views: 0

NIST/ASME Steam Properties Database - SRD 10

Data provided by  National Institute of Standards and Technology

The NIST/ASME Steam Properties Database is based upon the International Association for the Properties of Water and Steam (IAPWS) 1995 formulation for general and scientific use for the thermodynamic properties of water, this updated version provides water properties from the international standards over a wide range of conditions. Version 3.0 incorporates new IAPWS standards adopted in 2008 for the viscosity and for the melting and sublimation curves and in 2011 for the thermal conductivity.

Tags: chemical engineering,chemistry,dielectric,energies,equations of state,fluids,gas phases,liquid phases,phase equilibria,physics,properties of water,refractive index,refractivity,steam tables,supercritical,thermodynamic data,thermodynamic properties,thermodynamics,thermophysical,thermophysics,transport properties,transport property data,

Modified: 2022-07-29

Views: 0

NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) Version 9 - SRD 23

Data provided by  National Institute of Standards and Technology

**NOTICE: THIS VERSION OF REFPROP (9.1) has been superseded by Version 10: https://doi.org/10.18434/T4/1502528 ** NIST Standard Reference Data 23 contains revised data in a Windows version of the database, including 105 pure fluids and allowing mixtures of up to 20 components. The fluids include the environmentally acceptable HFCs, traditional HFCs and CFCs and 'natural' refrigerants like ammonia. Version9.1 REFPROP 9.1 has replaced the NIST 12 and 14 databases.

Tags: AGA-8,Benedict Webb Rubin,CFCs,Excels,FORTRAN,GERG 2004,GERG 2008,Gibbs,Gruneisen,HCFCs,HFCs,Joule-Thomson,Lennard Jones,MBWR,Pitzer,Second cross virial coefficient,acentric factors,adiabatics,air,air conditioning,air conductivities,air densities,air viscosities,alternative refrigerants,azeotropes,binaries,binary mixtures,biodiesels,biofuels,boiling points,boilings,butenes,calorific values,chemical engineering,chemical potentials,chemicals,chemistry,chlorofluorocarbons,compressed natural gases,conductivity functions,cooling equipment,critical flow factors,criticals,cryogen,cryogenics,energies,equations of state,excess values,extended corresponding states,fatty acid methyl esters,fluids,fluorinated,freons,fugacity coefficients,fundamentals,gas and oil,gas phases,gaseous,gases,graphical interfaces,greenhouse gases,gross heating values,heats,heavy waters,hydrocarbons,hydrochlorofluorocarbons,hydrofluorocarbons,hydrogen fuel cells,interaction parameters,liquid equilibria,liquified natural gases,mechanical engineering,mixtures,modelings,molar masses,natural gases,net heating values,normal hydrogens,nuclear magnetic resonance,orthohydrogens,ozone depletions,parahydrogens,phase boundaries,phase diagrams,phase equilibria,physical,physics,pseudo pure fluids,pure fluids,reference states,refrigerants,refrigerations,saturated,siloxanes,software,sound speeds,specific heat inputs,states,substances,supercritical CO2,thermal,thermo chemistry,thermo physical,thermochemical data,thermodynamic data,thermodynamic properties,thermodynamics,thermophysical data,thermophysical properties,thermophysics,thermos,transport equations,transport properties,transport property data,triples,vapor,vapor compression cycles,water densities,water properties,water vapor pressures,

Modified: 2022-07-29

Views: 0

NIST/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35

Data provided by  National Institute of Standards and Technology

This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the JCAMP-DX (Joint Committee for Atomic and Molecular Physical Data 'Data Exchange') format. Chemical structures are provided in the MOL-file format. The IR data originated from two sources, from the so-called 'EPA Vapor-Phase IR Library' and from NIST laboratories.

Tags: Joint Committee for Atomic and Molecular Physical Data,absorption spectra,chemical structures,gas phases,gases,infra red,infrared spectra,mass spectra,mass spectrometry,molecular spectroscopy,molecular vibrations,physics,spectra,spectroscopy,structural data,structures,vapor phase infrared,

Modified: 2022-07-29

Views: 0

NIST X-Ray Form Factor, Attenuation and Scattering Tables - SRD 66

Data provided by  National Institute of Standards and Technology

This database collects tables and graphs of the form factors, the photoabsorption cross section, and the total attenuation coefficient for any element (Z

Tags: Dirac,Dirac Hartree Fock,X rays,Xrays,conversion factors,correction factors,energies,form factors,gamma rays,hyphenate-ITS 90,photoelectric attenuation coefficients,physics,scattering contributions,seebecks,thermoelectrics,ultraviolet,uv vis,

Modified: 2022-07-29

Views: 0

NIST Heat Transmission Properties of Insulating and Building Materials Database - SRD 81

Data provided by  National Institute of Standards and Technology

NIST has accumulated a valuable and comprehensive collection of thermal conductivity data from measurements performed with a 200-mm square guarded-hot-plate apparatus. The guarded-hot-plate test method is arguably the most accurate and popular method for determination of thermal transmission properties of flat, homogeneous specimens under steady state conditions. Several organizations, including ASTM and ISO, have standardized the method.

Tags: building materials,conductance,energy conservations,heat conductivities,insulating materials,insulation,material databases,materials,physics,thermal insulations,thermophysical properties,

Modified: 2022-07-29

Views: 0

NIST Computational Chemistry Comparison and Benchmark Database - SRD 101

Data provided by  National Institute of Standards and Technology

The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. The goals are to provide a benchmark set of experimental data for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of gas-phase thermochemical properties. The data files linked to this record are a subset of the experimental data present in the CCCBDB.

Tags: ab initio,atomization enthalpy,basis functions,benchmark data,benchmarks,bond angle,bond length,cccbdb,chemistry,computational chemistry,dipole moment,electron affinity,hindered rotor,homo lumo gap,ideal gas,integrated heat capacity,isomerization enthalpies,molecular geometry,molecular polarizability,molecular vibrations,physics,point group,quantum chemistry,thermochemical data,thermochemistry,vibration frequencies,vibrational frequencies,vibrational frequency,vibrational zero point energy,zero-point energies,

Modified: 2022-07-29

Views: 0