| <?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 --> | |