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Materials Design Ontology - Core Module

Metadata

IRI
https://w3id.org/mdo/core/
Creator(s)
Huanyu Li
Contributors(s)
Rickard Armiento
Patrick Lambrix
Created
2019-11-07
Version Information
1.1
License
https://github.com/LiUSemWeb/Materials-Design-Ontology/blob/master/LICENSE
Ontology RDF
RDF (xml)

Description

This is the core module in Materials Design Ontology.

Table of Contents

  1. Classes
  2. Object Properties
  3. Datatype Properties
  4. Annotation Properties
  5. Named Individuals
  6. Namespaces
  7. Legend

Overview

Figure 1: Ontology overview

Classes ↑

Quantityc

IRI http://qudt.org/schema/qudt/Quantity
Sub-classes Propertyc

QuantityKindc

IRI http://qudt.org/schema/qudt/QuantityKind
In range of qudt:hasQuantityKindop

QuantityValuec

IRI http://qudt.org/schema/qudt/QuantityValue
In range of qudt:quantityValueop

Unitc

IRI http://qudt.org/schema/qudt/Unit
In range of qudt:unitop

Calculated Propertyc

IRI https://w3id.org/mdo/core/CalculatedProperty
Description

A calculated property is a proprty that is a result from a calculation.
Super-classes Propertyc
In range of hasOutputCalculatedPropertyop

Calculationc

IRI https://w3id.org/mdo/core/Calculation
Description

A calculation is the use of a specific computational method to process structures and/or properties into output structures and/or calculated properties.
Super-classes (N0ceb49e1a7564e3fb58e54a781966376c and N4e1495c2b4a24de2a29cc1a50aee0185c and N277c0825545d4dc38083af4866806e4ec and N6d3a97867d8f457da5ec2773c41afbbfc and Nc99b56ecb49143aba2a433aa1dcf9a9fc and N0fd969ac6c7e46f58cf444295f11e0fec)
(N0ceb49e1a7564e3fb58e54a781966376c and N4e1495c2b4a24de2a29cc1a50aee0185c and N277c0825545d4dc38083af4866806e4ec and N6d3a97867d8f457da5ec2773c41afbbfc and Nc99b56ecb49143aba2a433aa1dcf9a9fc and N0fd969ac6c7e46f58cf444295f11e0fec)
In domain of hasInputPropertyop
hasInputStructureop
IDdp
hasOutputCalculatedPropertyop
hasOutputStructureop

Materialc

IRI https://w3id.org/mdo/core/Material
In range of relatesToMaterialop

Physical Propertyc

IRI https://w3id.org/mdo/core/PhysicalProperty
Description

A physical property is an objective property over a physical system (i.e., something that at least in principle can be measured in an experiment). Note that PhysicalProperty does not represent the outcome of such a measurement, only the abstract notion of the property. For example, let OpticalBandGap be a sub-concept of PhysicalProperty to represent the physically measurable threshold for photons absorbed by a material. Next, consider a calculation based on the DensityFunctionalTheoryMethod in the Calculation module using the HybridGeneralizedGradientApproximation Heyd-Scuseria-Ernzerhof (HSE). To represent the outcome of this calculation, HSEKohn-ShamBandGap can be introduced as a sub-concept of CalculatedProperty. This concept arguably is an approximation of OpticalBandGap (but they are not equivalent concepts)
Super-classes Propertyc

Propertyc

IRI https://w3id.org/mdo/core/Property
Description

A property in materials design is data pertaining to at least one material or materials system, representing a quantifiable aspect of one material or materials system. It is specialized into the disjoint concepts CalculatedProperty and PhysicalProperty
Super-classes qudt:Quantityc
Sub-classes PhysicalPropertyc
CalculatedPropertyc
In domain of relatesToStructureop
PropertyNamedp
In range of hasInputPropertyop

Structurec

IRI https://w3id.org/mdo/core/Structure
Description

A structure is the information of the sites and their occupancies in a material or materials system.
Super-classes (Nea68d599c4df4b318dae7d613cb8557fc and N7a43b9784e214c47b8118d99ffcd5431c)
In domain of relatesToMaterialop
In range of hasInputStructureop
hasOutputStructureop
relatesToStructureop

Object Properties ↑

hasQuantityKindop

IRI http://qudt.org/schema/qudt/hasQuantityKind
Range(s) qudt:QuantityKindc

quantityValueop

IRI http://qudt.org/schema/qudt/quantityValue
Range(s) qudt:QuantityValuec

unitop

IRI http://qudt.org/schema/qudt/unit
Range(s) qudt:Unitc

has input propertyop

IRI https://w3id.org/mdo/core/hasInputProperty
Description hasInputProperty represents the relationship between a calculation and the properties it takes as input.
Domain(s) Calculationc
Range(s) Propertyc

has input structureop

IRI https://w3id.org/mdo/core/hasInputStructure
Description hasInputStructure represents the relationship between a calculation and the structures it takes as input.
Domain(s) Calculationc
Range(s) Structurec

has output calculated propertyop

IRI https://w3id.org/mdo/core/hasOutputCalculatedProperty
Description hasOutputCalculatedProperty represents the relationship between a calculation and the calculated properties it outputs.
Domain(s) Calculationc
Range(s) CalculatedPropertyc

has output structureop

IRI https://w3id.org/mdo/core/hasOutputStructure
Description hasOutputStructure represents the relationship between a calculation and the structures it outputs.
Domain(s) Calculationc
Range(s) Structurec

has quantity valueop

IRI https://w3id.org/mdo/core/hasQuantityValue
Description hasQuantityValue represents the relationship between a property and quantity value it takes.

relates to materialop

IRI https://w3id.org/mdo/core/relatesToMaterial
Description relatesToMaterial represents the relationship between a structure and the materials it comes from.
Domain(s) Structurec
Range(s) Materialc

relates to structureop

IRI https://w3id.org/mdo/core/relatesToStructure
Description relatesToStructure represents the relationship between a property and the structures it comes from.
Domain(s) Propertyc
Range(s) Structurec

Datatype Properties ↑

numericalValuedp

IRI http://qudt.org/schema/qudt/numericalValue
Range(s) xsd:doublec

IDdp

IRI https://w3id.org/mdo/core/ID
Description ID represents that a calculation has the unique ID in a string.
Domain(s) Calculationc
Range(s) xsd:stringc

property namedp

IRI https://w3id.org/mdo/core/PropertyName
Description PropertyName represents that a property has the name in a string.
Domain(s) Propertyc
Range(s) xsd:stringc

Annotation Properties ↑

contributorap

IRI http://purl.org/dc/terms/contributor

createdap

IRI http://purl.org/dc/terms/created

creatorap

IRI http://purl.org/dc/terms/creator

licenseap

IRI http://purl.org/dc/terms/license

titleap

IRI http://purl.org/dc/terms/title

preferredNamespacePrefixap

IRI http://purl.org/vocab/vann/preferredNamespacePrefix

preferredNamespaceUriap

IRI http://purl.org/vocab/vann/preferredNamespaceUri

Named Individuals ↑

EVni

Classes(s)
qudt:Unit
IRI http://qudt.org/vocab/unit/EV

GM-PER-CentiM3ni

Classes(s)
qudt:Unit
IRI http://qudt.org/vocab/unit/GM-PER-CentiM3

Namespaces ↑

:
https://w3id.org/mdo/core/
dcterms
http://purl.org/dc/terms/
emmo
http://emmo.info/domains/emmo-material.owl#
owl
http://www.w3.org/2002/07/owl#
prov
http://www.w3.org/ns/prov#
qudt
http://qudt.org/schema/qudt/
qudt-unit
http://qudt.org/vocab/unit/
rdf
http://www.w3.org/1999/02/22-rdf-syntax-ns#
rdfs
http://www.w3.org/2000/01/rdf-schema#
sdo
https://schema.org/
skos
http://www.w3.org/2004/02/skos/core#
vann
http://purl.org/vocab/vann/
xml
http://www.w3.org/XML/1998/namespace
xsd
http://www.w3.org/2001/XMLSchema#

Legend

cClasses
opObject Properties
fpFunctional Properties
dpData Properties
dpAnnotation Properties
pProperties
niNamed Individuals