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Merge pull request #7 from Materials-Data-Science-and-Informatics/update/IRI
update/IRI: update after IRI change
2 parents dfad5fa + 68dc3e5 commit 2e27830

16 files changed

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‎CDO/catalog-v001.xml‎

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<?xml version="1.0" encoding="UTF-8" standalone="no"?>
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<catalog prefer="public" xmlns="urn:oasis:names:tc:entity:xmlns:xml:catalog">
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<group id="Folder Repository, directory=, recursive=true, Auto-Update=true, version=2" prefer="public" xml:base="">
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<uri id="Automatically generated entry, Timestamp=1672734522528" name="https://purls.helmholtz-metadaten.de/cdo" uri="crystallographic-defect-ontology.owl"/>
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<uri id="Automatically generated entry, Timestamp=1672736423303" name="https://purls.helmholtz-metadaten.de/disos/cdo" uri="crystallographic-defect-ontology.owl"/>
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</group>
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</catalog>

‎CDO/crystallographic-defect-ontology.owl‎

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<?xml version="1.0"?>
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<rdf:RDF xmlns="https://purls.helmholtz-metadaten.de/cdo"
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xml:base="https://purls.helmholtz-metadaten.de/cdo"
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<rdf:RDF xmlns="https://purls.helmholtz-metadaten.de/disos/cdo"
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xml:base="https://purls.helmholtz-metadaten.de/disos/cdo"
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xmlns:owl="http://www.w3.org/2002/07/owl#"
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xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
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xmlns:xml="http://www.w3.org/XML/1998/namespace"
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xmlns:vann="http://purl.org/vocab/vann/"
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xmlns:terms="http://purl.org/dc/terms/">
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<owl:Ontology rdf:about="https://purls.helmholtz-metadaten.de/disos/cdo">
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<owl:imports rdf:resource="https://purls.helmholtz-metadaten.de/cso"/>
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<owl:imports rdf:resource="https://purls.helmholtz-metadaten.de/diso"/>
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<terms:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Said Fathalla</terms:contributor>
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<terms:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Stefan Sandfeld</terms:contributor>
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<terms:created xml:lang="en">21.03.2022</terms:created>
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<!-- http://purl.org/dc/terms/license -->
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<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/license"/>
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<!-- http://purl.org/dc/terms/title -->
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<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/title"/>
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<owl:ObjectProperty rdf:about="https://purls.helmholtz-metadaten.de/disos/cdo#hasCrystalStructure">
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<rdfs:domain rdf:resource="https://purls.helmholtz-metadaten.de/disos/cdo#CrystallineMaterial"/>
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<rdfs:range rdf:resource="https://purls.helmholtz-metadaten.de/cso#CrystalStructure"/>
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<rdfs:range rdf:resource="https://purls.helmholtz-metadaten.de/disos/cso#CrystalStructure"/>
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<rdfs:label xml:lang="en">has crystal structure</rdfs:label>
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</owl:ObjectProperty>
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<!-- https://purls.helmholtz-metadaten.de/cso#CrystalStructure -->
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<owl:Class rdf:about="https://purls.helmholtz-metadaten.de/cso#CrystalStructure"/>
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<!-- https://purls.helmholtz-metadaten.de/diso#Dislocation -->
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<owl:Class rdf:about="https://purls.helmholtz-metadaten.de/diso#Dislocation">
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<rdfs:subClassOf rdf:resource="https://purls.helmholtz-metadaten.de/disos/cdo#CrystallographicDefect"/>
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</owl:Class>
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<!-- https://purls.helmholtz-metadaten.de/disos/cdo#CrystallineMaterial -->
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<owl:Class rdf:about="https://purls.helmholtz-metadaten.de/disos/cdo#CrystallineMaterial">
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<owl:intersectionOf rdf:parseType="Collection">
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<owl:Restriction>
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<owl:onProperty rdf:resource="https://purls.helmholtz-metadaten.de/disos/cdo#hasCrystalStructure"/>
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<owl:someValuesFrom rdf:resource="https://purls.helmholtz-metadaten.de/cso#CrystalStructure"/>
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<owl:someValuesFrom rdf:resource="https://purls.helmholtz-metadaten.de/disos/cso#CrystalStructure"/>
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</owl:Restriction>
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<owl:Restriction>
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<owl:onProperty rdf:resource="https://purls.helmholtz-metadaten.de/disos/cdo#hasCrystalStructure"/>
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<owl:allValuesFrom rdf:resource="https://purls.helmholtz-metadaten.de/cso#CrystalStructure"/>
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<owl:allValuesFrom rdf:resource="https://purls.helmholtz-metadaten.de/disos/cso#CrystalStructure"/>
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</owl:Restriction>
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</owl:intersectionOf>
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</owl:Class>
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<owl:Class rdf:about="https://purls.helmholtz-metadaten.de/disos/cdo#PointDefect">
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<rdfs:subClassOf rdf:resource="https://purls.helmholtz-metadaten.de/disos/cdo#CrystallographicDefect"/>
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</owl:Class>
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<!-- https://purls.helmholtz-metadaten.de/disos/cso#CrystalStructure -->
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<owl:Class rdf:about="https://purls.helmholtz-metadaten.de/disos/cso#CrystalStructure"/>
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<!-- https://purls.helmholtz-metadaten.de/disos/diso#Dislocation -->
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<owl:Class rdf:about="https://purls.helmholtz-metadaten.de/disos/diso#Dislocation">
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<rdfs:subClassOf rdf:resource="https://purls.helmholtz-metadaten.de/disos/cdo#CrystallographicDefect"/>
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</owl:Class>
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<rdf:Description>
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<owl:qualifiedCardinality rdf:datatype="http://www.w3.org/2001/XMLSchema#nonNegativeInteger">1</owl:qualifiedCardinality>
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</rdf:Description>

‎CSO/CQs.md‎

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CQ1.1: Which crystal structure share the same cubic crystal system?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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SELECT ?crystalstructure ?crystal_system WHERE{
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?crystalstructure a cso:CrystalStructure ; cso:hasLattice ?lattice .
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CQ1.2: Which crystal structure share the same hexagonal crystal system?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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SELECT ?crystalstructure ?crystal_system WHERE{
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?crystalstructure a cso:CrystalStructure ; cso:hasLattice ?lattice .
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```
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CQs. 2: What are the lattice parameters of length given a crystal structure?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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SELECT ?crystalstructure ?length_a ?length_b ?length_c WHERE{
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?crystalstructure a cso:CrystalStructure ; cso:hasLattice ?lattice .
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CQs. 3: What are the lattice parameters of angle given a crystal structure?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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SELECT ?crystalstructure ?angle_alpha ?angle_beta ?angle_gamma WHERE{
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?crystalstructure a cso:CrystalStructure ; cso:hasLattice ?lattice .
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CQs 4: Given the space group of a crystal structure, what is the bravais lattice centering?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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SELECT ?crystal_structure ?centering WHERE{
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?crystal_structure a cso:CrystalStructure;
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CQs 5: Given the crystal structure, what are the corresponding space group and point group?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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PREFIX mdo: <https://w3id.org/mdo/structure/>
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CQs 6a : Given the point group of a crystal structure, what is the corresponding crystal system, e.g. Cubic?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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PREFIX mdo: <https://w3id.org/mdo/structure/>
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CQs 6b : Given the point group of a crystal structure, what is the corresponding crystal system, e.g. Hexagonal?
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```
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PREFIX cso: <https://purls.helmholtz-metadaten.de/cso#>
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PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#>
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PREFIX mdo: <https://w3id.org/mdo/structure/>
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