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Slot: id

A slot to provide an URI for an entity within this schema.

URI: coremeta4cat:slot/id Alias: id

Applicable Classes

Name Description Modifies Slot
ElectrochemicalReactor Electrochemical reactor used in electrocatalytic experiments, including
H-cells, flow cells, and membrane electrode assemblies.
no
SubstanceSample A MaterialSample derived from a ChemicalSubstance that is of interest in an analytical procedure. no
Synthesis A DataGeneratingActivity in which a catalyst is prepared.

The preparation protocol is linked via realized_plan using a
PreparationMethod instance. Input materials (Precursors) are linked via
had_input_entity. The resulting catalyst (CatalystSample) is linked via
had_output_entity.

The type of synthesis is further specified via rdf_type using an ontology
term (e.g. a voc4cat preparation method term), following DCAT-AP-PLUS
Pattern 3.
no
CSTR Continuous stirred tank reactor (CSTR) — a well-mixed, continuous-flow
reactor operating at steady state.
no
Characterization A DataGeneratingActivity in which a catalyst sample or catalytic material
is characterized using an analytical technique.

The catalyst sample being characterized is linked via evaluated_entity.
The analytical protocol is linked via realized_plan using a
CharacterizationTechnique instance. The instrument used is linked via
carried_out_by as a Device.

The specific technique type is expressed via rdf_type using an ontology
term (e.g. CHMO:0000158 for powder XRD, CHMO:0000404 for XPS),
following DCAT-AP-PLUS Pattern 3 — exactly as NMRSpectroscopy uses
rdf_type: CHMO:0000613.
no
DataAnalysis An Activity that evaluates the data produced by another Activity. no
DissolvingSubstance A liquid ChemicalSubstance that dissolves or that is capable of dissolving a ChemicalSubstance. no
AnalysisDataset A Dataset that was generated by an analysis of some previously generated data. For example, a dataset that contains the data of an assignment of a chemical structure to a sample based on the spectral data obtained from the sample is an AnalyticalDataset. no
StartingMaterial A ChemicalSubstance with that has a starting material role in a synthesis. no
Entity A physical, digital, conceptual, or other kind of thing with some fixed aspects; entities may be real or imaginary. no
DataGeneratingActivity An Activity (process) that has the objective to produce information (in form of a dataset) about another Activity or Entity. no
Atom A MaterialEntity constituting the smallest component of an element having the chemical properties of the element. no
AnalysisSourceData Information that was evaluated within a DataAnalysis. no
PolymerSample A SubstanceSample derived from a Polymer. no
Microreactor Microreactor — a miniaturised flow reactor with characteristic dimensions
in the sub-millimetre range, enabling precise thermal control and rapid
screening.
no
FluidizedBedReactor Fluidized bed reactor — a reactor in which the catalyst particles are
suspended in an upward-flowing gas or liquid stream.
no
Polymer A ChemicalSubstance that is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc.. no
ChemicalProduct A chemical substance that is produced by a ChemicalReaction. no
Activity See DCAT-AP specs:Activity no
Reagent A ChemicalSubstance that is consumed or transformed in a ChemicalReaction. no
Resource See DCAT-AP specs:Resource no
CatalystSample A MaterialSample that is the product of a catalyst Synthesis.
The specific type of catalyst (e.g. heterogeneous, supported metal)
is expressed via rdf_type using a voc4cat term.
no
Precursor A MaterialSample that serves as input material in a catalyst Synthesis.
Precursors are consumed or transformed during the preparation process.
no
Software An instrument composed of a series of instructions that can be interpreted by or directly executed by a computer. no
Reactor A reactor is a container for controlling a biological or chemical reaction or process. no
PlugFlowReactor Plug flow reactor (PFR) — a tubular reactor in which reactant composition
varies along the axis with no axial mixing.
no
DefinedTerm A word, name, acronym or phrase that is defined in a controlled vocabulary (CV) and that is used to provide an additional rdf:type or dcterms:type of a class within this schema. no
Device A material instrument that is designed to perform a function primarily by means of its mechanical or electrical nature. no
EvaluatedEntity An Entity that is being evaluated in a DataGeneratingActivity. no
LegalResource See DCAT-AP specs:LegalResource no
Autoclave Autoclave reactor — a sealed pressure vessel for batch reactions at
elevated temperature and/or pressure.
no
ChemicalSubstance A MaterialEntity of constant composition, composed of chemical entities of the same type or of different types. no
MaterialEntity A material is an Entity that has some portion of matter as proper part. no
FixedBedReactor Fixed bed reactor — a tubular reactor packed with a stationary catalyst bed.
The most common reactor type in heterogeneous catalysis testing.
no
LicenseDocument See DCAT-AP specs:LicenseDocument no
Reaction An EvaluatedActivity representing the catalytic reaction being studied.

Reaction is NOT a DataGeneratingActivity — it is the catalytic process
being observed, not the process that generates the dataset. A CatalysisDataset
is linked to the Reaction it is about via is_about_activity.

For operando experiments (e.g. in-situ XRD during a reaction), the dataset
carries both:
was_generated_by: Characterization (the measurement producing data)
is_about_activity: Reaction (the catalytic process being monitored)

The reactor is linked via carried_out_by as a ReactorDesignType (Device).
Reactants are linked via had_input_entity. The type of catalytic reaction
(e.g. ammonia synthesis, CO oxidation) is expressed via rdf_type using a
voc4cat or ChemO term.
no
Catalyst A ChemicalSubstance or MaterialEntity that initiates or accelerates a ChemicalReaction without itself being affected. no
MaterialSample A Sample that was derived from a previous MaterialSample or some other kind of MaterialEntity. no
ChemicalReaction A process that leads to the transformation of one set of chemical substances to another. no
SlurryReactor Slurry reactor — a three-phase reactor in which catalyst particles are
suspended in a liquid phase through which gas is bubbled.
no
AgenticEntity An entity that is somehow responsible for an Activity to take place. no
Document See DCAT-AP specs:Document no
Simulation A DataGeneratingActivity in which a catalyst, catalytic material, or
catalytic process is modelled computationally.

The simulation software is linked via carried_out_by as a Software agent.
The simulation method (protocol) is linked via realized_plan using a
SimulationMethod instance. The catalyst model or reaction being simulated
is linked via evaluated_entity or evaluated_activity.

The specific simulation type is expressed via rdf_type (e.g. coremeta4cat:DFT,
NCIT:C18097 for molecular dynamics), following DCAT-AP-PLUS Pattern 3.
no
EvaluatedActivity An activity or process that is being evaluated in a DataGeneratingActivity. no
ReactorDesignType Abstract Device representing the type of reactor used in a catalytic experiment.
Concrete subclasses specify the reactor geometry and operating mode.
Linked from Reaction via carried_out_by.
no
ChemicalEntity Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. no
CatalysisDataset A dcat:Dataset that contains research data in the field of catalysis.

The catalysis research field is expressed via rdf_type using a voc4cat
term from CatalysisResearchFieldEnum (following DCAT-AP-PLUS Pattern 3).
For example, a dataset from heterogeneous catalysis research would carry:
rdf_type:
id: VOC4CAT:0007001
title: "heterogeneous catalysis"

The four CoreMeta4Cat minimum information pillars are linked via the slots
below, each pointing to the corresponding DataGeneratingActivity or
EvaluatedActivity subclass defined in the CoreMeta4Cat subprofile modules.
no
Dataset A collection of data, published or curated by a single agent, and available for access or download in one or more representations. no

Properties

Identifier and Mapping Information

Schema Source

  • from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type Mapped Value
self coremeta4cat:id
native coremeta4cat:id

LinkML Source

name: id
description: A slot to provide an URI for an entity within this schema.
in_subset:
- domain_agnostic_core
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
identifier: true
alias: id
domain_of:
- Activity
- AgenticEntity
- Dataset
- DefinedTerm
- Document
- Entity
- LegalResource
- LicenseDocument
- Resource
range: uriorcurie
required: true