VAMDC Dictionary

Restrictables

KeywordShort DescriptionLong DescriptionTypeConstraintUnit
AsOfDate Data as of this date (YYYY-MM-DD) Return data excluding any additions or improvements that were made after the given date (YYYY-MM-DD). This allows for reproducing an earlier query. Note that probably not all nodes support this. String
AtomMass Atomic mass expressed in atomic mass units u. The atomic mass is the mass of an atom expressed in unified atomic mass unit u. It is defined as 1/12 of the rest mass of an unbound carbon-12 atom in its nuclear and electronic ground state. 1 u = 1.660538782(83)E-27 kg. Float >1 u
AtomMassNumber Atomic mass number is the total number of protons and neutrons in atomic nucleus. Atomic mass number (A), also called mass number or nucleon number, is the total number of protons and neutrons (together known as nucleons) in an atomic nucleus. Because protons and neutrons both are baryons, the mass number A is identical with the baryon number B as of the nucleus as of the whole atom or ion. The mass number is different for each different isotope of a chemical element. Integer >0
AtomNuclearCharge Atomic number Atomic number or nuclear charge Integer >0
AtomNuclearSpin The total angular momentum of a nucleus. The total angular momentum of a nucleus, usually represented as l. For electrons spin and orbital angular momentum are treated separately but particles in a nucleus generally behave as a single entity with intrinsic angular momentum I. Associated with each nuclear spin is a nuclear magnetic moment which produces magnetic interactions with its environment. Float
AtomStateCoupling Coupling scheme used to describe the state. Coupling scheme used to describe the state. Currently five coupling schemes are supported LS, jj, J1J2, jK and LK. For a detailed description of these and other schemes see, e.g., Atomic Spectroscopy at http://physics.nist.gov/Pubs/AtSpec/index.html String
AtomStateHyperfineMomentum hyperfine momentum of atomic state hyperfine momentum of atomic state Float
AtomStateIonizationEnergy Ionization energy Ionization energy in eV Float >0 1/cm
AtomStateKappa Relativistic correction. Relativistic correction. Float
AtomStateLandeFactor Lande factor Lande factor Float
AtomStateMagneticQuantumNumber Magnetic quantum number of a state. Magnetic quantum number of a state, can be integer or half-integer, positive and negative. Float
AtomStateParity State parity. State parity. Can have values: "even", "odd" or "undefined" String
AtomStatePolarizability State polarizability. State polarizability. Float
AtomStateQuantumDefect Quantum defect correction. The quantum defect is a correction applied to the potential to account for the fact that the inner electrons do not entirely screen the corresponding charge of the nucleus. It is particularity important for atoms with single electron in the outer shell. Float
AtomStateTotalAngMom Total angular moment of state core. Total angular moment of state core. Integer
AtomSymbol Atom Atomic name String
CollisionCode string or list of strings with 4-letter code describing process string or list of strings with 4-letter code describing process String
CollisionIAEACode From the "IAEA Classification of Processes", October 2003 From the "IAEA Classification of Processes", October 2003 String
EnvironmentSpeciesConcentration The concentration of a species contributing to an Environment The concentration of a species contributing to an Environment Float
EnvironmentSpeciesMoleFraction The mole fraction of a species contributing to an Environment The mole fraction of a species contributing to an Environment Float
EnvironmentSpeciesPartialPressure The partial pressure of a species contributing to an Environment The partial pressure of a species contributing to an Environment Float
EnvironmentTemperature Environment temperature Environment temperature Float >0 K
EnvironmentTotalNumberDensity The total number density of particles comprising an Environment The total number density of particles comprising an Environment Float 1/cm3
EnvironmentTotalPressure Environment total pressure Environment total pressure Float >=0 Pa
FunctionID A unique identifier for this function, of the form 'Fxxx' A unique identifier for this function, of the form 'Fxxx' String
FunctionName The name of this function The name of this function String
Inchi The IUPAC International Chemical Identifier InChI The IUPAC International Chemical Identifier (InChI) is a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode atomic and molecular information and facilitate the search and exchange of such such information in databases and on the web. String
InchiKey InChi key is hashed form of InChI name of an atom/ion/isotope InChi key is hashed, fixed-length (currently 27 character) form of International Chemical Identifier (InChI) string describing a given atom/ion/isotope. InChIKeys consist of 14 characters resulting from a hash of the connectivity information of the InChI, followed by a hyphen, followed by 9 characters resulting from a hash of the remaining layers of the InChI, followed by a single character indication the version of InChI used, another hyphen, followed by single checksum character. More information about InChI and InChI Key can be found at http://www.iupac.org/inchi/ String
IonCharge Charge Species charge, >0 for ionized species (positive charge), <0 for negative charge (excess electrons), 0 for neutral. Integer
MethodCategory Method category. Method category. Allowed values are: experiment, theory, ritz, recommended, evaluated, empirical, scalingLaw, semiempirical, compilation, derived String
MoleculeChemicalName Molecule name Conventional molecule name, e.g. CO2, NH3, Feh (may not be unique) String
MoleculeMolecularWeight molecular weight molecular weight Float u
MoleculeNormalModeHarmonicFrequency Harmonic frequency The harmonic frequency of a normal mode. Float MHz
MoleculeProtonation molecule pronotation molecule pronotation
MoleculeQNJ J The molecular J quantum number for total angular momentum excluding nuclear spin Float
MoleculeQNK K K is the quantum number associated with the projection of the total angular momentum excluding nuclear spin, J, onto the molecular symmetry axis. Integer
MoleculeQNKa Ka Ka is the rotational quantum label of an asymmetric top molecule, correlating to K in the prolate symmetric top limit. Integer
MoleculeQNKc Kc Kc is the rotational quantum label of an asymmetric top molecule, correlating to K in the oblate symmetric top limit. Integer
MoleculeQNv v For diatomic molecules, the vibrational quantum number, v Integer
MoleculeQNv1 v1 The v1 vibrational quantum number. Integer
MoleculeQNv2 v2 The v2 vibrational quantum number. Integer
MoleculeQNv3 v3 The v3 vibrational quantum number. Integer
MoleculeStateNuclearSpinIsomer Spin isomer Nuclear spin isomer (symmetry) of a molecular state. Can take values like ‘ortho’,’para’,’A’,’E’,’meta’, etc. String
MoleculeStoichiometricFormula Molecular stoichiometric formula Molecular stoichiometric formula String
NonRadTranEnergy energy of non-radiative transition energy of non-radiative transition Float
NonRadTranProbability probability of non-radiative transition probability of non-radiative transition Float
NonRadTranWidth width of non-radiative transition width of non-radiative transition Float
ParticleName Particle name Particle name, one of photon, electron, muon, positron, neutron, alpha, cosmic String
RadTransBroadeningDoppler Only Restrictable (not NULL) Only Restrictable (not NULL) to make a query where there is Broadening information. Boolean
RadTransBroadeningInstrument Only Restrictable (not NULL) Only Restrictable (not NULL) to make a query where there is Broadening information. Boolean
RadTransBroadeningNatural Only Restrictable (not NULL) Only Restrictable (not NULL) to make a query where there is Broadening information. Boolean
RadTransBroadeningPressure Only Restrictable (not NULL) Only Restrictable (not NULL) to make a query where there is Broadening information. Boolean
RadTransEffectiveLandeFactor Effective Lande factor Effective Lande factor for a given transition Float
RadTransEnergy The energy of a radiative transition The energy of a radiative transition Float
RadTransFrequency Radiative transition frequency Radiative transition frequency. Float MHz
RadTransProbabilityA Einstein spontaneous emission probability A. The Einstein coefficient for spontaneous radiative de-excitation (emission) A. Float >= 0 1/s
RadTransProbabilityIdealisedIntensity idealized intensity of radiative transition idealized intensity of radiative transition Float
RadTransProbabilityLineStrength Total absorption by a spectra line Line profile-integrated absorption for transition between two energy levels. Line strength K = h𝛎 / 4π; (n1 B12 - n2 B21) Float >0 1/cm
RadTransProbabilityLog10WeightedOscillatorStrength weighted oscillator strength (log) of radiative transition weighted oscillator strength (log) of radiative transition Float
RadTransProbabilityOscillatorStrength oscillator strength of radiative transition oscillator strength of radiative transition Float
RadTransProbabilityWeightedOscillatorStrength weighted oscillator strength of radiative transition weighted oscillator strength of radiative transition Float
RadTransWavelength Radiative transition wavelength Radiative transition vacuum wavelength Float A
RadTransWavenumber Radiative transition wavenumber. Radiative transition wavenumber. Float
SourceCategory Category Type of publication, e.g. journal, book etc. String Journal | Book | Proceedings | On-line
SourceDOI Source DOI Digital Object Identifier of bibliography source String
SourceYear Year Publication Year Integer >0
SpeciesID Species Identifier Node-specific species identifier, last measure to uniquely identify species if any other identifiers collide String
StateEnergy Level energy Energy of the level Float >=0 1/cm
StateLifeTime Atomic level life time Life time of an atomic state in s. Float >0 s
StateStatisticalWeight statistical weight of a state statistical weight of a state Float
VAMDCSpeciesID VAMDC Species ID Internal VAMDC species identifier, inchikey plus suffix, used in case inchikeys collide for molecules. String

Description of the columns in the table above:

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