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Slot: value

A slot to provide the literal value of an attribute.

URI: prov:value Alias: value

Applicable Classes

Name Description Modifies Slot
PowerQuantity Rate of energy transfer per unit time (e.g. laser power in mW). no
MassToChargeRatio Ratio of mass to electric charge (m/z) in mass spectrometry. no
OperationMode A qualitative descriptor of the operation mode of an instrument or
process (e.g. "transmission", "reflection", "AC", "DC", "full-scan").		 no
QualitativeAttribute A piece of information that is attributed to an Entity, Activity or AgenticEntity. yes
SamplePretreatment A qualitative descriptor of the pre-treatment applied to a sample
before a process or measurement (e.g. "reduction at 300 °C", "outgassing").		 no
ThermodynamicStability Thermodynamic stability of a material or phase, characterised by formation
energy, convex hull distance, and competing phases. Used to screen catalyst
stability and predict synthesis feasibility.		 no
BandGap Electronic band gap and its character (direct/indirect), with optional
many-body (GW) or excitonic corrections. Critical for photocatalyst
and semiconductor catalyst screening.		 no
Ferroelectrics Ferroelectric properties computed from DFT, including spontaneous
polarization, switching barrier, and coercive field. Relevant for
ferroelectric-photocatalyst design.		 no
Pressure no
Piezoelectricity Piezoelectric response of a non-centrosymmetric material, described by the
piezoelectric tensor. Relevant for piezocatalysis applications.		 no
MolarMass A Mass (physical quality) that quantifies the mass of a homogeneous ChemicalSubstance containing 6.02 x 10^23 atoms or molecules. no
Atmosphere A qualitative descriptor of the gaseous environment or atmospheric
conditions during a process (e.g. "air", "N2", "5% H2/Ar").		 no
Volume A measure of regions in three-dimensional space. no
CalcinationGaseousEnvironment The specific gaseous environment maintained during a calcination step
(e.g. "air", "N2", "10% O2/N2").		 no
GrainBoundaries Grain boundary structure and energetics from atomistic simulation.
Relevant for understanding polycrystalline catalyst behaviour,
sintering, and charge/defect segregation.		 no
QuantitativeAttribute A quantifiable piece of information that is attributed to an Entity, Activity or AgenticEntity. yes
Temperature A physical quantity that quantitatively expresses the attribute of hotness or coldness. no
Density A measure of the mass per unit volume of a substance. no
MolecularFormula A structure descriptor which identifies each constituent element by its chemical symbol and indicates the number of atoms of each element found in each discrete molecule of that compound. no
ElectricPotential A quantitative measure of electric potential difference or voltage. no
ElasticConstants Elastic mechanical properties of a material derived from the elastic tensor,
including bulk modulus, shear modulus, and Young's modulus.		 no
MolarEquivalent A dimensionless ratio that quantifies the stoichiometric proportion of a chemical substance relative to a reference substance in a chemical reaction. no
Concentration A QuantitativeAttribute of a ChemicalSubstance that represents the amount of a constituent divided by the volume of the mixture. no
Duration A quantitative measure of elapsed time (duration of a process step). no
LengthQuantity A quantitative measure of length or spatial dimension (nm, mm, cm). no
AqueousStability Electrochemical (Pourbaix) stability of a catalyst in aqueous solution as
a function of pH and electrode potential. Critical for electrocatalyst
stability screening.		 no
VesselType A qualitative descriptor of the type of reaction or synthesis vessel
used (e.g. "autoclave", "round-bottom flask", "Schlenk tube").		 no
Mass The strength of a body's gravitational attraction to other bodies. no
Yield A dimensionless physical quantity describing the fraction of a product B that is formed from a reactant A taking into account the stoichiometry. If A fully reacts to B without side-reactions, the yield of product B is 1 (or 100 %). no
HeatingProcedure A qualitative descriptor of the thermal programme or heating procedure
applied (e.g. "isothermal", "ramp 5 °C/min to 500 °C, dwell 2 h").		 no
EnergyQuantity A quantitative measure of energy (eV, keV, kJ/mol, etc.). no
DielectricTensors Dielectric tensor computed from density functional perturbation theory (DFPT).
Characterises the optical and static dielectric response of a material.		 no
PlaneAngle A quantitative measure of a plane angle (e.g. scattering angle in degrees). no
PercentageOfTotal A dimensionless ratio that quantifies the stoichiometric proportion of a chemical substance relative to a reference substance in a chemical reaction. no
PHValue no
AngularVelocity Rate of rotational motion, typically expressed in revolutions per minute. no
SMILES A structure descriptor that denotes a molecular structure as a graph and conforms to the SMILES format specification. no
HeatingRate Rate of temperature change per unit time during a thermal ramp. no
IUPACName A systematic name which is formulated according to the rules and recommendations for chemical nomenclature set out by the International Union of Pure and Applied Chemistry (IUPAC). no
Surfaces Surface properties of a catalyst computed from a periodic slab model,
including surface energy, Miller index, slab thickness, and vacuum spacing.
Central to heterogeneous catalysis modelling.		 no
PhononDispersion Phonon dispersion relations computed from interatomic force constants,
providing access to vibrational frequencies, thermodynamic quantities,
and dynamical stability (imaginary modes).		 no
AmountOfSubstance The total amount of substance used in a ChemicalReaction. no
CalculatedProperty Abstract QualitativeAttribute representing a property computed by a
Simulation. Concrete subclasses carry the property-specific output
values and the computational settings used to produce them.
Linked from Simulation via the calculated_property slot.		 no
VolumeFlowRate Volume of fluid passing a given point per unit time. no
InChi A structure descriptor which conforms to the InChI format specification. no
ElectronicStructure Electronic band structure and density of states, characterising the
electronic properties of a catalyst relevant to activity descriptors
(d-band centre, band gap, Fermi energy).		 no
EquationsOfState Equation of state relating energy (or enthalpy) to volume, fitted to a
parametric model (e.g. Birch-Murnaghan). Used to extract equilibrium
volume, bulk modulus, and its pressure derivative.		 no
Wavenumber Reciprocal of wavelength; number of wave cycles per unit length (cm^-1). no
InChIKey no

Properties

Identifier and Mapping Information

Schema Source

Mappings

Mapping Type Mapped Value
self prov:value
native coremeta4cat:value

LinkML Source

name: value
description: A slot to provide the literal value of an attribute.
in_subset:
- domain_agnostic_core
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: prov:value
alias: value
domain_of:
- QualitativeAttribute
- QuantitativeAttribute
range: string