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Returnables

Restrictables

The following keywords may be used as restrictables in TAP-VAMDC queries using VSS1 language, also they are added to registry for each new node.

Note that each node supports only a small subset of the keywords. The list of supported keywords may be retrieved through VOSI Capabilities service endpoint. See the TAP-VAMDC documentation for further details.

AsOfDate

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.

Type: string

Constraints:

AtomMass

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.

Units: u

Type: floating-point number

Constraints: >1

AtomMassNumber

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.

Type: integer number

Constraints: >0

AtomNuclearCharge

Atomic number or nuclear charge

Type: integer number

Constraints: >0

AtomNuclearSpin

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.

Type: floating-point number

Constraints:

AtomStateCoupling

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

Type: string

Constraints:

AtomStateHyperfineMomentum

Type: floating-point number

Constraints:

AtomStateIonizationEnergy

Ionization energy in eV

Units: 1/cm

Type: floating-point number

Constraints: >0

AtomStateKappa

Relativistic correction.

Type: floating-point number

Constraints:

AtomStateLandeFactor

Lande factor

Type: floating-point number

Constraints:

AtomStateMagneticQuantumNumber

Magnetic quantum number of a state, can be integer or half-integer, positive and negative.

Type: floating-point number

Constraints:

AtomStateParity

State parity. Can have values: “even”, “odd” or “undefined”

Type: string

Constraints:

AtomStatePolarizability

State polarizability.

Type: floating-point number

Constraints:

AtomStateQuantumDefect

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.

Type: floating-point number

Constraints:

AtomStateTotalAngMom

Type: integer number

Constraints:

AtomSymbol

Atomic name

Type: string

Constraints:

CollisionCode

Type: string

Constraints:

CollisionIAEACode

Type: string

Constraints:

EnvironmentSpeciesConcentration

The concentration of a species contributing to an Environment

Type: floating-point number

Constraints:

EnvironmentSpeciesMoleFraction

The mole fraction of a species contributing to an Environment

Type: floating-point number

Constraints:

EnvironmentSpeciesPartialPressure

The partial pressure of a species contributing to an Environment

Type: floating-point number

Constraints:

EnvironmentTemperature

Environment temperature

Units: K

Type: floating-point number

Constraints: >0

EnvironmentTotalNumberDensity

The total number density of particles comprising an Environment

Units: 1/cm3

Type: floating-point number

Constraints:

EnvironmentTotalPressure

Environment total pressure

Units: Pa

Type: floating-point number

Constraints: >=0

FunctionID

A unique identifier for this function, of the form ‘Fxxx’

Type: string

Constraints:

FunctionName

The name of this function

Type: string

Constraints:

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.

Type: string

Constraints:

InchiKey

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/

Type: string

Constraints:

IonCharge

Ionization stage with 0 for neutral

Type: integer number

Constraints: >=0

MethodCategory

Method category. Allowed values are: experiment, theory, ritz, recommended, evaluated, empirical, scalingLaw, semiempirical, compilation, derived

Type: string

Constraints:

MoleculeChemicalName

Conventional molecule name, e.g. CO2, NH3, Feh (may not be unique)

Type: string

Constraints:

MoleculeMolecularWeight

Units: u

Type: floating-point number

Constraints:

MoleculeNormalModeHarmonicFrequency

The harmonic frequency of a normal mode.

Units: MHz

Type: floating-point number

Constraints:

MoleculeProtonation

Type: string

Constraints:

MoleculeQNJ

The molecular J quantum number for total angular momentum excluding nuclear spin

Type: floating-point number

Constraints:

MoleculeQNK

K is the quantum number associated with the projection of the total angular momentum excluding nuclear spin, J, onto the molecular symmetry axis.

Type: integer number

Constraints:

MoleculeQNKa

Ka is the rotational quantum label of an asymmetric top molecule, correlating to K in the prolate symmetric top limit.

Type: integer number

Constraints:

MoleculeQNKc

Kc is the rotational quantum label of an asymmetric top molecule, correlating to K in the oblate symmetric top limit.

Type: integer number

Constraints:

MoleculeQNv

For diatomic molecules, the vibrational quantum number, v

Type: integer number

Constraints:

MoleculeQNv1

The v1 vibrational quantum number.

Type: integer number

Constraints:

MoleculeQNv2

The v2 vibrational quantum number.

Type: integer number

Constraints:

MoleculeQNv3

The v3 vibrational quantum number.

Type: integer number

Constraints:

MoleculeStateNuclearSpinIsomer

Nuclear spin isomer (symmetry) of a molecular state. Can take values like ‘ortho’,’para’,’A’,’E’,’meta’, etc.

Type: string

Constraints:

MoleculeStoichiometricFormula

Molecular stoichiometric formula

Type: string

Constraints:

NonRadTranEnergy

Type: floating-point number

Constraints:

NonRadTranProbability

Type: floating-point number

Constraints:

NonRadTranWidth

Type: floating-point number

Constraints:

ParticleName

Particle name, one of photon, electron, muon, positron, neutron, alpha, cosmic

Type: string

Constraints:

RadTransBroadeningDoppler

Only Restrictable (not NULL) to make a query where there is Broadening information.

Type: string

Constraints:

RadTransBroadeningInstrument

Only Restrictable (not NULL) to make a query where there is Broadening information.

Type: string

Constraints:

RadTransBroadeningNatural

Only Restrictable (not NULL) to make a query where there is Broadening information.

Type: string

Constraints:

RadTransBroadeningPressure

Only Restrictable (not NULL) to make a query where there is Broadening information.

Type: string

Constraints:

RadTransEffectiveLandeFactor

Effective Lande factor for a given transition

Type: floating-point number

Constraints:

RadTransEnergy

The energy of a radiative transition

Type: floating-point number

Constraints:

RadTransFrequency

Radiative transition frequency.

Units: MHz

Type: floating-point number

Constraints:

RadTransProbabilityA

The Einstein coefficient for spontaneous radiative de-excitation (emission) A.

Units: 1/s

Type: floating-point number

Constraints: >= 0

RadTransProbabilityIdealisedIntensity

Type: floating-point number

Constraints:

RadTransProbabilityLineStrength

Line profile-integrated absorption for transition between two energy levels. Line strength K = h&nu; / 4&pi; (n<sub>1</sub> B<sub>12</sub> - n<sub>2</sub> B<sub>21</sub>)

Units: 1/cm

Type: floating-point number

Constraints: >0

RadTransProbabilityLog10WeightedOscillatorStrength

Type: floating-point number

Constraints:

RadTransProbabilityOscillatorStrength

Type: floating-point number

Constraints:

RadTransProbabilityWeightedOscillatorStrength

Type: floating-point number

Constraints:

RadTransWavelength

Radiative transition vacuum wavelength

Units: A

Type: floating-point number

Constraints:

RadTransWavenumber

Radiative transition wavenumber.

Type: floating-point number

Constraints:

SourceCategory

Type of publication, e.g. journal, book etc.

Type: string

Constraints: Journal | Book | Proceedings | On-line

SourceDOI

Digital Object Identifier of bibliography source

Type: string

Constraints:

SourceYear

Publication Year

Type: integer number

Constraints: >0

SpeciesID

Node-specific species identifier, last measure to uniquely identify species if any other identifiers collide

Type: string

Constraints:

StateEnergy

Energy of the level

Units: 1/cm

Type: floating-point number

Constraints: >=0

StateLifeTime

Life time of an atomic state in s.

Units: s

Type: floating-point number

Constraints: >0

StateStatisticalWeight

Type: floating-point number

Constraints:

VAMDCSpeciesID

Internal VAMDC species identifier, inchikey plus suffix, used in case inchikeys collide for molecules.

Type: string

Constraints: