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DFT Benchmarking
Data provided by National Institute of Standards and Technology
All the data in this project are generated running Density Functional (DFT) simulation either on NIST computer clusters of through our collaborators at University of Florida. The final data consist in relaxed atomic structures and corresponding energetic, mechanical, electronic and phonon properties. The metadata consist in the initial and relaxed structures, the description of the code, of the k points and of all the parameters used in running the simulations (energy or real space cutoff, type of minimization, occupation, etc.).
Tags: Density functional theory,DFT,Uncertainty,UQ,exchange-correlation comparison,k points,energy precision,Energy,elastic constants,energy gap,bulk modulus,
Modified: 2024-02-22
Views: 0
NIST Micronutrients Measurement Quality Assurance Program Winter and Summer 2017 Comparability Studies
Data provided by National Institute of Standards and Technology
The Micronutrients Measurement Quality Assurance Program (MMQAP) was coordinated by the Chemical Sciences Division and supported measurement technology for selected fat- and water-soluble vitamins and carotenoids in human serum. This program was initiated in 1984 by the National Cancer Institute Division of Cancer Prevention and Control to ensure the long-term reliability of the measurements made while studying the possible cancer chemoprevention roles of these compounds.
Tags: interlaboratory comparisons,Biosciences and Health,Energy,Environment and Climate,Food and Nutrition,fat-soluble vitamins,Carotenoids,Vitamin C,Human Serum,interlaboratory study,
Modified: 2024-02-22
Views: 0
Manufacturing Cost Guide
Data provided by National Institute of Standards and Technology
The Manufacturing Cost Guide is a tool that estimates the costs that US manufacturers face and can be used to help gauge the potential returns on manufacturing industry research projects through cost reductions. These costs are grouped into various standardized categories such as the North American Industry Classification System (NAICS) and the Standard Occupational Classification (SOC) system along with other non-standardized costs.
The tool can be used to answer questions such as:
Tags: manufacturing,cost,input output,economics,labor,maintenance,Energy,value added,supply chain,environmental impact,environmental sustainability,
Modified: 2024-02-22
Views: 0
NIST Atomic Spectra Database - SRD 78
Data provided by National Institute of Standards and Technology
This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The Atomic Spectroscopy Data Center has carried out these critical compilations. The Data Center is located in the Physical Measurement Laboratory at the National Institute of Standards and Technology (NIST).
Tags: cesium,chlorine,chromium,cobalt,columbium,copernicium,copper,curium,darmstadtium,database,deuterium,doubly-charged,dubnium,dysprosium,einsteinium,element,energy levels,erbium,europium,fermium,flerovium,fluorine,francium,gadolinium,gallium,germanium,gold,ground states,hafnium,hassium,helium,holmium,hydrogen,indium,iodine,ionization potentials,ionization-energies,ionization-limits,ionized-atoms,iridium,iron,mendelevium,mercury,molybdenum,multiply-charged,neodymium,neon,neptunium,neutral,nickel,niobium,nitrogen,nobelium,osmium,oxygen,palladium,phosphorus,platinum,plutonium,polonium,potassium,praseodymium,promethium,protactinium,quadruply-charged,radium,rhenium,rhodium,roentgenium,rubidium,ruthenium,rutherfordium,samarium,scandium,seaborgium,selenium,silicium,silicon,silver,singly-charged,sodium,spectra,spectral lines,spectroscopy,spectrum,strontium,sulfur,sulphur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,transition probabilities,triply-charged,tritium,tungsten,ununbium,ununhexium,ununoctium,ununpentium,ununquadium,ununseptium,ununtrium,unununium,uranium,vanadium,wavelengths,xenon,ytterbium,yttrium,zinc,zirconium,krypton,kurchatovium,lawrencium,lanthanum,lead,lithium,livermorium,lutetium,magnesium,manganese,meitnerium,Atomic,Atomic Spectroscopy,Radon,actinium,aluminium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic physics,atomic property,atomic-ions,barium,berkelium,beryllium,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,
Modified: 2024-02-22
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: 2024-02-22
Views: 0
NIST Handbook of Basic Atomic Spectroscopic Data - SRD 108
Data provided by National Institute of Standards and Technology
This handbook provides a selection of the most important and frequently used atomic spectroscopic data in an easily accessible format. The compilation includes energy levels, ionization energies, wavelengths, line intensities, transition probabilities, and spectrum assignments for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99), given in separate tables for each element. It includes approximately 12,000 spectral lines of all elements. Bibliographic references are provided for all data.
Tags: actinium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic property,Atomic Spectroscopy,Atomic Weights,barium,berkelium,beryllium,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,copper,curium,dysprosium,einsteinium,element,Elemental Data,erbium,europium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,helium,holmium,hydrogen,indium,iodine,Ionized Atoms,iridium,iron,Isotopic Composition,krypton,lanthanum,lead,lithium,lutetium,magnesium,manganese,mercury,molybdenum,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,osmium,oxygen,palladium,phosphorus,platinum,plutonium,polonium,potassium,praseodymium,promethium,protactinium,radium,Radon,rhenium,rhodium,rubidium,ruthenium,samarium,scandium,selenium,silicon,silver,Singly Charged,Singly Ionized,sodium,spectrum,strontium,sulfur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,tungsten,vanadium,xenon,ytterbium,yttrium,zinc,zirconium,atomic energy levels,atomic spectra,atomic spectral lines,ionization energy,ionization potential,wavelengths,
Modified: 2024-02-22
Views: 0
NIST Atomic Spectral Line Broadening Bibliographic Database
Data provided by National Institute of Standards and Technology
This interactive database, maintained by the NIST Atomic Spectroscopy Data Center, contains more than 6000 references, dating from 1889 through current year and is updated regularly in intervals between one and four weeks. These references pertain to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts.
Tags: actinium,aluminium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic property,Atomic Spectroscopy,barium,berkelium,beryllium,Bibliographic database,Bibliography,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,columbium,copernicium,copper,curium,darmstadtium,deuterium,Doubly Charged,Doubly Ionized,dubnium,dysprosium,einsteinium,elements,erbium,europium,fermium,flerovium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,hassium,helium,holmium,hydrogen,indium,iodine,Ionized Atoms,iridium,iron,krypton,kurchatovium,lanthanum,lawrencium,lead,Line broadening,Literature,lithium,livermorium,lutetium,magnesium,manganese,meitnerium,mendelevium,mercury,molybdenum,Multiply Charged,Natural broadening,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,nobelium,osmium,oxygen,palladium,phosphorus,Plasma diagnostics,platinum,plutonium,polonium,potassium,praseodymium,Pressure shift,promethium,protactinium,Quadruply Charged,Quadruply Ionized,radium,Radon,Resonance broadening,rhenium,rhodium,roentgenium,rubidium,ruthenium,rutherfordium,samarium,scandium,seaborgium,Searchable,selenium,silicium,silicon,silver,Singly Charged,Singly Ionized,sodium,Spectral line profile,Spectral line shape,Spectral line shift,Spectral line width,spectrum,Stark broadening,Stark shift,strontium,sulfur,sulphur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,Triply Charged,Triply Ionized,tritium,tungsten,uranium,vanadium,xenon,ytterbium,yttrium,Zeeman broadening,zinc,zirconium,van der Waals broadening,
Modified: 2024-02-22
Views: 0
NIST Atomic Transition Probability Bibliographic Database
Data provided by National Institute of Standards and Technology
This interactive database, maintained by the NIST Atomic Spectroscopy Data Center, contains more than 8000 references, dating from 1914 through current year and is updated regularly in intervals between one and four weeks. These references pertain to publications that include numerical data, comments, and reviews on atomic transition probabilities, oscillator strengths, line strengths, and radiative lifetimes.
Tags: actinium,aluminium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic property,Atomic Spectroscopy,barium,berkelium,beryllium,Bibliographic database,Bibliography,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,columbium,copernicium,copper,curium,darmstadtium,deuterium,Doubly Charged,Doubly Ionized,dubnium,dysprosium,einsteinium,element,erbium,europium,fermium,flerovium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,hassium,helium,holmium,hydrogen,indium,iodine,Ionized Atoms,iridium,iron,krypton,kurchatovium,lanthanum,lawrencium,lead,Literature,lithium,livermorium,lutetium,magnesium,manganese,meitnerium,mendelevium,mercury,molybdenum,Multiply Charged,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,nobelium,osmium,oxygen,palladium,phosphorus,platinum,plutonium,polonium,potassium,praseodymium,promethium,protactinium,Quadruply Charged,Quadruply Ionized,Radiative Lifetime,Radiative Rate,radium,Radon,rhenium,rhodium,roentgenium,rubidium,ruthenium,rutherfordium,samarium,scandium,seaborgium,Searchable,selenium,silicium,silicon,silver,Singly Charged,Singly Ionized,sodium,spectrum,strontium,sulfur,sulphur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,Transition Probability,Triply Charged,Triply Ionized,tritium,tungsten,ununbium,ununhexium,ununoctium,ununpentium,ununquadium,ununseptium,ununtrium,unununium,uranium,vanadium,xenon,ytterbium,yttrium,zinc,zirconium,
Modified: 2024-02-22
Views: 0
NIST Atomic Energy Levels and Spectra Bibliographic Database
Data provided by National Institute of Standards and Technology
References contained in this database are from Bibliography on Atomic Energy Levels and Spectra, NBS Special Publication 363 and Supplements, as well as current references since the last published bibliography collected by the NIST Atomic Spectroscopy Data Center (http://www.nist.gov/physlab/div842/grp01/asdc_info.cfm).
Tags: actinium,aluminium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic properties,Atomic Spectroscopy,atomic energy levels,atomic spectra,atomic spectral lines,barium,berkelium,beryllium,Bibliographic database,Bibliography,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,columbium,copernicium,copper,curium,darmstadtium,deuterium,Doubly Charged,Doubly Ionized,dubnium,dysprosium,einsteinium,element,erbium,europium,fermium,flerovium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,hassium,helium,holmium,hydrogen,hyperfine structure,indium,iodine,ionization energy,ionization potential,Ionized Atoms,iridium,iron,Isotope shifts,krypton,kurchatovium,lanthanum,lawrencium,lead,Literature,lithium,livermorium,lutetium,magnesium,manganese,meitnerium,mendelevium,mercury,molybdenum,Multiply Charged,Negative Ions,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,nobelium,osmium,oxygen,palladium,phosphorus,platinum,plutonium,polonium,potassium,praseodymium,promethium,protactinium,Quadruply Charged,Quadruply Ionized,radium,Radon,rhenium,rhodium,roentgenium,rubidium,ruthenium,rutherfordium,samarium,scandium,seaborgium,Searchable,selenium,silicium,silicon,silver,Singly Charged,Singly Ionized,sodium,spectrum,Stark effect,strontium,sulfur,sulphur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,Triply Charged,Triply Ionized,tritium,tungsten,ununbium,ununhexium,ununoctium,ununpentium,ununquadium,ununseptium,ununtrium,unununium,uranium,vanadium,xenon,ytterbium,yttrium,Zeeman effect,zinc,zirconium,wWavelengths,
Modified: 2024-02-22
Views: 0
NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials
Data provided by National Institute of Standards and Technology
The NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials is a free, web-based catalog of adsorbent materials and measured adsorption properties of numerous materials obtained from article entries from the scientific literature. Search fields for the database include adsorbent material, adsorbate gas, experimental conditions (pressure, temperature), and bibliographic information (author, title, journal), and results from queries are provided as a list of articles matching the search parameters.
Tags: adsorbate,adsorbent,adsorption,isotherm,metal organic Framework,porous Material,surface science,Advanced Materials,Energy,Environment and Climate,manufacturing,
Modified: 2024-02-22
Views: 0
