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mdo-core.owl
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<?xml version="1.0"?>
<rdf:RDF xmlns="https://w3id.org/mdo/core/"
xml:base="https://w3id.org/mdo/core/"
xmlns:owl="http://www.w3.org/2002/07/owl#"
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:xml="http://www.w3.org/XML/1998/namespace"
xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
xmlns:emmo="http://emmo.info/domains/emmo-material.owl#"
xmlns:qudt="http://qudt.org/schema/qudt/"
xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xmlns:vann="http://purl.org/vocab/vann/"
xmlns:dcterms="http://purl.org/dc/terms/"
xmlns:qudt-unit="http://qudt.org/vocab/unit/">
<owl:Ontology rdf:about="https://w3id.org/mdo/core/">
<owl:versionIRI rdf:resource="https://w3id.org/mdo/core/1.1/"/>
<dcterms:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Patrick Lambrix</dcterms:contributor>
<dcterms:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Rickard Armiento</dcterms:contributor>
<dcterms:created>2022-08-02</dcterms:created>
<dcterms:creator rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Huanyu Li</dcterms:creator>
<dcterms:license>https://github.com/LiUSemWeb/Materials-Design-Ontology/blob/master/LICENSE</dcterms:license>
<dcterms:title xml:lang="en">Materials Design Ontology - Core Module</dcterms:title>
<vann:preferredNamespacePrefix>core</vann:preferredNamespacePrefix>
<vann:preferredNamespaceUri rdf:datatype="http://www.w3.org/2001/XMLSchema#string">https://w3id.org/mdo/core/1.1/</vann:preferredNamespaceUri>
<rdfs:comment xml:lang="en">This is the core module in Materials Design Ontology.</rdfs:comment>
<rdfs:seeAlso>https://github.com/LiUSemWeb/Materials-Design-Ontology</rdfs:seeAlso>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string">1.1</owl:versionInfo>
</owl:Ontology>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Annotation properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://purl.org/dc/terms/contributor -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/contributor"/>
<!-- http://purl.org/dc/terms/created -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/created"/>
<!-- http://purl.org/dc/terms/creator -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/creator"/>
<!-- http://purl.org/dc/terms/license -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/license"/>
<!-- http://purl.org/dc/terms/title -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/title"/>
<!-- http://purl.org/vocab/vann/preferredNamespacePrefix -->
<owl:AnnotationProperty rdf:about="http://purl.org/vocab/vann/preferredNamespacePrefix"/>
<!-- http://purl.org/vocab/vann/preferredNamespaceUri -->
<owl:AnnotationProperty rdf:about="http://purl.org/vocab/vann/preferredNamespaceUri"/>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Datatypes
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://www.w3.org/2001/XMLSchema#date -->
<rdfs:Datatype rdf:about="http://www.w3.org/2001/XMLSchema#date"/>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Object Properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://qudt.org/schema/qudt/hasQuantityKind -->
<owl:ObjectProperty rdf:about="http://qudt.org/schema/qudt/hasQuantityKind">
<rdfs:range rdf:resource="http://qudt.org/schema/qudt/QuantityKind"/>
</owl:ObjectProperty>
<!-- http://qudt.org/schema/qudt/quantityValue -->
<owl:ObjectProperty rdf:about="http://qudt.org/schema/qudt/quantityValue">
<rdfs:range rdf:resource="http://qudt.org/schema/qudt/QuantityValue"/>
</owl:ObjectProperty>
<!-- http://qudt.org/schema/qudt/unit -->
<owl:ObjectProperty rdf:about="http://qudt.org/schema/qudt/unit">
<rdfs:range rdf:resource="http://qudt.org/schema/qudt/Unit"/>
</owl:ObjectProperty>
<!-- https://w3id.org/mdo/core/hasInputProperty -->
<owl:ObjectProperty rdf:about="https://w3id.org/mdo/core/hasInputProperty">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Calculation"/>
<rdfs:range rdf:resource="https://w3id.org/mdo/core/Property"/>
<rdfs:comment xml:lang="en">hasInputProperty represents the relationship between a calculation and the properties it takes as input.</rdfs:comment>
<rdfs:label xml:lang="en">has input property</rdfs:label>
</owl:ObjectProperty>
<!-- https://w3id.org/mdo/core/hasInputStructure -->
<owl:ObjectProperty rdf:about="https://w3id.org/mdo/core/hasInputStructure">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Calculation"/>
<rdfs:range rdf:resource="https://w3id.org/mdo/core/Structure"/>
<rdfs:comment xml:lang="en">hasInputStructure represents the relationship between a calculation and the structures it takes as input.</rdfs:comment>
<rdfs:label xml:lang="en">has input structure</rdfs:label>
</owl:ObjectProperty>
<!-- https://w3id.org/mdo/core/hasOutputCalculatedProperty -->
<owl:ObjectProperty rdf:about="https://w3id.org/mdo/core/hasOutputCalculatedProperty">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Calculation"/>
<rdfs:range rdf:resource="https://w3id.org/mdo/core/CalculatedProperty"/>
<rdfs:comment xml:lang="en">hasOutputCalculatedProperty represents the relationship between a calculation and the calculated properties it outputs.</rdfs:comment>
<rdfs:label xml:lang="en">has output calculated property</rdfs:label>
</owl:ObjectProperty>
<!-- https://w3id.org/mdo/core/hasOutputStructure -->
<owl:ObjectProperty rdf:about="https://w3id.org/mdo/core/hasOutputStructure">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Calculation"/>
<rdfs:range rdf:resource="https://w3id.org/mdo/core/Structure"/>
<rdfs:comment xml:lang="en">hasOutputStructure represents the relationship between a calculation and the structures it outputs.</rdfs:comment>
<rdfs:label xml:lang="en">has output structure</rdfs:label>
</owl:ObjectProperty>
<!-- https://w3id.org/mdo/core/hasQuantityValue -->
<owl:ObjectProperty rdf:about="https://w3id.org/mdo/core/hasQuantityValue">
<rdfs:comment xml:lang="en">hasQuantityValue represents the relationship between a property and quantity value it takes.</rdfs:comment>
<rdfs:label xml:lang="en">has quantity value</rdfs:label>
</owl:ObjectProperty>
<!-- https://w3id.org/mdo/core/relatesToMaterial -->
<owl:ObjectProperty rdf:about="https://w3id.org/mdo/core/relatesToMaterial">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Structure"/>
<rdfs:range rdf:resource="https://w3id.org/mdo/core/Material"/>
<rdfs:comment xml:lang="en">relatesToMaterial represents the relationship between a structure and the materials it comes from.</rdfs:comment>
<rdfs:label xml:lang="en">relates to material</rdfs:label>
</owl:ObjectProperty>
<!-- https://w3id.org/mdo/core/relatesToStructure -->
<owl:ObjectProperty rdf:about="https://w3id.org/mdo/core/relatesToStructure">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Property"/>
<rdfs:range rdf:resource="https://w3id.org/mdo/core/Structure"/>
<rdfs:comment xml:lang="en">relatesToStructure represents the relationship between a property and the structures it comes from.</rdfs:comment>
<rdfs:label xml:lang="en">relates to structure</rdfs:label>
</owl:ObjectProperty>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Data properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://qudt.org/schema/qudt/numericalValue -->
<owl:DatatypeProperty rdf:about="http://qudt.org/schema/qudt/numericalValue">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#double"/>
</owl:DatatypeProperty>
<!-- https://w3id.org/mdo/core/ID -->
<owl:DatatypeProperty rdf:about="https://w3id.org/mdo/core/ID">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Calculation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<rdfs:comment xml:lang="en">ID represents that a calculation has the unique ID in a string.</rdfs:comment>
<rdfs:label xml:lang="en">ID</rdfs:label>
</owl:DatatypeProperty>
<!-- https://w3id.org/mdo/core/PropertyName -->
<owl:DatatypeProperty rdf:about="https://w3id.org/mdo/core/PropertyName">
<rdfs:domain rdf:resource="https://w3id.org/mdo/core/Property"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<rdfs:comment xml:lang="en">PropertyName represents that a property has the name in a string.</rdfs:comment>
<rdfs:label xml:lang="en">property name</rdfs:label>
</owl:DatatypeProperty>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Classes
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://qudt.org/schema/qudt/Quantity -->
<owl:Class rdf:about="http://qudt.org/schema/qudt/Quantity"/>
<!-- http://qudt.org/schema/qudt/QuantityKind -->
<owl:Class rdf:about="http://qudt.org/schema/qudt/QuantityKind"/>
<!-- http://qudt.org/schema/qudt/QuantityValue -->
<owl:Class rdf:about="http://qudt.org/schema/qudt/QuantityValue"/>
<!-- http://qudt.org/schema/qudt/Unit -->
<owl:Class rdf:about="http://qudt.org/schema/qudt/Unit"/>
<!-- https://w3id.org/mdo/core/CalculatedProperty -->
<owl:Class rdf:about="https://w3id.org/mdo/core/CalculatedProperty">
<rdfs:subClassOf rdf:resource="https://w3id.org/mdo/core/Property"/>
<owl:disjointWith rdf:resource="https://w3id.org/mdo/core/PhysicalProperty"/>
<rdfs:comment xml:lang="en">A calculated property is a proprty that is a result from a calculation.</rdfs:comment>
<rdfs:label xml:lang="en">Calculated Property</rdfs:label>
</owl:Class>
<!-- https://w3id.org/mdo/core/Calculation -->
<owl:Class rdf:about="https://w3id.org/mdo/core/Calculation">
<rdfs:subClassOf>
<owl:Class>
<owl:intersectionOf rdf:parseType="Collection">
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/hasInputProperty"/>
<owl:someValuesFrom rdf:resource="https://w3id.org/mdo/core/Property"/>
</owl:Restriction>
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/hasInputProperty"/>
<owl:allValuesFrom rdf:resource="https://w3id.org/mdo/core/Property"/>
</owl:Restriction>
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/hasOutputCalculatedProperty"/>
<owl:allValuesFrom rdf:resource="https://w3id.org/mdo/core/CalculatedProperty"/>
</owl:Restriction>
</owl:intersectionOf>
</owl:Class>
</rdfs:subClassOf>
<rdfs:subClassOf>
<owl:Class>
<owl:intersectionOf rdf:parseType="Collection">
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/hasInputStructure"/>
<owl:someValuesFrom rdf:resource="https://w3id.org/mdo/core/Structure"/>
</owl:Restriction>
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/hasInputStructure"/>
<owl:allValuesFrom rdf:resource="https://w3id.org/mdo/core/Structure"/>
</owl:Restriction>
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/hasOutputStructure"/>
<owl:allValuesFrom rdf:resource="https://w3id.org/mdo/core/Structure"/>
</owl:Restriction>
</owl:intersectionOf>
</owl:Class>
</rdfs:subClassOf>
<rdfs:comment xml:lang="en">A calculation is the use of a specific computational method to process structures and/or properties into output structures and/or calculated properties.</rdfs:comment>
<rdfs:label xml:lang="en">Calculation</rdfs:label>
</owl:Class>
<!-- https://w3id.org/mdo/core/Material -->
<owl:Class rdf:about="https://w3id.org/mdo/core/Material">
<rdfs:label xml:lang="en">Material</rdfs:label>
</owl:Class>
<!-- https://w3id.org/mdo/core/PhysicalProperty -->
<owl:Class rdf:about="https://w3id.org/mdo/core/PhysicalProperty">
<rdfs:subClassOf rdf:resource="https://w3id.org/mdo/core/Property"/>
<rdfs:comment xml:lang="en">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)</rdfs:comment>
<rdfs:label xml:lang="en">Physical Property</rdfs:label>
</owl:Class>
<!-- https://w3id.org/mdo/core/Property -->
<owl:Class rdf:about="https://w3id.org/mdo/core/Property">
<rdfs:subClassOf rdf:resource="http://qudt.org/schema/qudt/Quantity"/>
<rdfs:comment xml:lang="en">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</rdfs:comment>
<rdfs:label xml:lang="en">Property</rdfs:label>
</owl:Class>
<!-- https://w3id.org/mdo/core/Structure -->
<owl:Class rdf:about="https://w3id.org/mdo/core/Structure">
<rdfs:subClassOf>
<owl:Class>
<owl:intersectionOf rdf:parseType="Collection">
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/relatesToMaterial"/>
<owl:someValuesFrom rdf:resource="https://w3id.org/mdo/core/Material"/>
</owl:Restriction>
<owl:Restriction>
<owl:onProperty rdf:resource="https://w3id.org/mdo/core/relatesToMaterial"/>
<owl:allValuesFrom rdf:resource="https://w3id.org/mdo/core/Material"/>
</owl:Restriction>
</owl:intersectionOf>
</owl:Class>
</rdfs:subClassOf>
<rdfs:comment xml:lang="en">A structure is the information of the sites and their occupancies in a material or materials system.</rdfs:comment>
<rdfs:label xml:lang="en">Structure</rdfs:label>
</owl:Class>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Individuals
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://qudt.org/vocab/unit/EV -->
<owl:NamedIndividual rdf:about="http://qudt.org/vocab/unit/EV">
<rdf:type rdf:resource="http://qudt.org/schema/qudt/Unit"/>
</owl:NamedIndividual>
<!-- http://qudt.org/vocab/unit/GM-PER-CentiM3 -->
<owl:NamedIndividual rdf:about="http://qudt.org/vocab/unit/GM-PER-CentiM3">
<rdf:type rdf:resource="http://qudt.org/schema/qudt/Unit"/>
</owl:NamedIndividual>
</rdf:RDF>
<!-- Generated by the OWL API (version 4.5.9.2019-02-01T07:24:44Z) https://github.com/owlcs/owlapi -->