https://w3id.org/mdo/structure/
This is the structure module in Materials Design Ontology.
IRI | http://emmo.info/domains/emmo-material.owl#EMMO_4207e895_8b83_4318_996a_72cfb32acd94 |
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IRI | http://purl.obolibrary.org/obo/CHEBI_33250 |
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Restrictions |
http://purl.obolibrary.org/obo/chebi/formula^{dp} exactly 1 |
In range of |
hasElement^{op} |
IRI | https://w3id.org/mdo/structure/AngleTriple |
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Description |
A angle triple is a vector of three angles which represent the angles among three bases in a cell. |
Restrictions |
Angle_alpha^{dp} exactly 1 Angle_beta^{dp} exactly 1 Angle_gamma^{dp} exactly 1 |
In domain of |
Angle_gamma^{dp} Angle_alpha^{dp} Angle_beta^{dp} |
In range of |
hasAngleVector^{op} |
IRI | https://w3id.org/mdo/structure/AxisVectors |
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Description |
An axis-vectors is the three vectors which represent the bases of cell. |
Super-classes |
(Nb5cc15ae61b24a749754a105c5c10368^{c} and Ne2a9328155e04002beb9aad2a1215366^{c} and N9e949946f1214ce3881461b66c68b562^{c}) |
In domain of |
has_a_axisVector^{op} has_c_axisVector^{op} has_b_axisVector^{op} |
In range of |
hasAxisVectors^{op} |
IRI | https://w3id.org/mdo/structure/Basis |
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Description |
A basis defines a spatial unit used to express fractional coordinates. |
Super-classes |
(N4b38ca34272049a3be67f9d6852804cf^{c} or Ne8d3c24b2d4d4366a99a76838145c5e9^{c}) |
In range of |
hasBasis^{op} |
IRI | https://w3id.org/mdo/structure/Composition |
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Description |
A composition is used to represent what chemical elements composing a structure and the ratio of the chemical elements. |
In domain of |
AnonymousFormula^{dp} HillFormula^{dp} DescriptiveFormula^{dp} ReducedFormula^{dp} |
In range of |
hasComposition^{op} |
IRI | https://w3id.org/mdo/structure/CoordinateVector |
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Description |
A coordinate vector is the coordinates of a point in space. |
Restrictions |
Y_axisCoordinate^{dp} exactly 1 Z_axisCoordinate^{dp} exactly 1 X_axisCoordinate^{dp} exactly 1 |
In domain of |
X_axisCoordinate^{dp} Y_axisCoordinate^{dp} Z_axisCoordinate^{dp} |
In range of |
has_c_axisVector^{op} has_a_axisVector^{op} has_b_axisVector^{op} hasCartesianCoordinates^{op} hasFractionalCoordinates^{op} |
IRI | https://w3id.org/mdo/structure/Lattice |
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Description |
A lattice defines a peroidic arrangement of one or more atoms. |
Super-classes |
(N61ef2b61f3df4f9386dab08115e8ef8a^{c} or Nc2020e163a6542028093a8c546de61f8^{c}) |
In domain of |
LatticeType^{dp} LatticeVolume^{dp} |
In range of |
hasLattice^{op} |
IRI | https://w3id.org/mdo/structure/LengthTriple |
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Description |
A length triple defines the three parameters (a, b, c) that represent the lengths in three axes respectively. |
Restrictions |
Length_c^{dp} exactly 1 Length_b^{dp} exactly 1 Length_a^{dp} exactly 1 |
In domain of |
Length_a^{dp} Length_b^{dp} Length_c^{dp} |
In range of |
hasLengthVector^{op} |
IRI | https://w3id.org/mdo/structure/Occupancy |
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Description |
An occupancy ties a specific species to a site. |
Super-classes |
(N659391ac237140bbadd7d03ca2af6d12^{c} and N2d51f464328a46b98610207505b59705^{c} and Ne3235c146c3244b0aab5453e21bfde2c^{c} and N2e37e65ac430443c9f1a43060f0dfd2f^{c}) (N659391ac237140bbadd7d03ca2af6d12^{c} and N2d51f464328a46b98610207505b59705^{c} and Ne3235c146c3244b0aab5453e21bfde2c^{c} and N2e37e65ac430443c9f1a43060f0dfd2f^{c}) |
In domain of |
hasSpecies^{op} hasSite^{op} |
In range of |
hasOccupancy^{op} |
IRI | https://w3id.org/mdo/structure/PointGroup |
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Description |
A group of linear mappings of vector space, which is corresonpond to the group of motions in point space determining the symmetry of the macroscopic crystal, is called the point group of the crystal, furthermore of the crystal structure, and is also called the point group of its space group. |
Restrictions |
PointGroupHMName^{dp} exactly 1 |
In domain of |
PointGroupHMName^{dp} |
In range of |
hasPointGroup^{op} |
IRI | https://w3id.org/mdo/structure/Site |
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Description |
A site is a point in a lattice. |
Super-classes |
(N9c50e134629040c3a1f8cd0db3714c7c^{c} and N55ff0c3dd83d46f3842f286cf60c9c44^{c} and Nfcf8266929184d12b219ff1a85038fcb^{c} and N610eb15f9ff04557b32def9fb9aa0754^{c}) (N9c50e134629040c3a1f8cd0db3714c7c^{c} and N55ff0c3dd83d46f3842f286cf60c9c44^{c} and Nfcf8266929184d12b219ff1a85038fcb^{c} and N610eb15f9ff04557b32def9fb9aa0754^{c}) |
In domain of |
hasCartesianCoordinates^{op} hasFractionalCoordinates^{op} |
In range of |
hasSite^{op} |
IRI | https://w3id.org/mdo/structure/SpaceGroup |
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Description |
A space group is the symmetry group of a three-dimensional crystal pattern is called its space group. |
Super-classes |
(Nf56317dca4134d93b42197d1d4b89099^{c} and Nd9e0baf2e82845b49122aa410e007735^{c}) |
Restrictions |
SpaceGroupID^{dp} exactly 1 SpaceGroupSymbol^{dp} exactly 1 |
In domain of |
hasPointGroup^{op} SpaceGroupSymbol^{dp} SpaceGroupID^{dp} |
In range of |
hasSpaceGroup^{op} |
IRI | https://w3id.org/mdo/structure/Species |
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Description |
A species is the combination of atoms on each site. |
Restrictions |
hasElement^{op} exactly 1 http://purl.obolibrary.org/obo/CHEBI_33250^{c} |
In domain of |
ElementRatio^{dp} hasElement^{op} |
In range of |
hasSpecies^{op} |
IRI | https://w3id.org/mdo/structure/hasAngleVector |
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Description | hasAngleVector represents the relationship between a basis or a lattice and an angle triple it has. |
Domain(s) | (Basis^{c} or Lattice^{c}) |
Range(s) | AngleTriple^{c} |
IRI | https://w3id.org/mdo/structure/hasAxisVectors |
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Description | hasAxisVectors represents the relationship between a basis or a lattice and a axis-vectors it has. |
Domain(s) | (Basis^{c} or Lattice^{c}) |
Range(s) | AxisVectors^{c} |
IRI | https://w3id.org/mdo/structure/hasBasis |
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Description | hasBasis represents the relationship between a structure and the bases it has. |
Domain(s) | core:Structure^{c} |
Range(s) | Basis^{c} |
IRI | https://w3id.org/mdo/structure/hasCartesianCoordinates |
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Description | hasCartesianCoordinates represents the relationship between a site and coordinates in cartesian format it has. |
Domain(s) | Site^{c} |
Range(s) | CoordinateVector^{c} |
IRI | https://w3id.org/mdo/structure/hasComposition |
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Description | hasComposition represents the relationship between a structure and a a composition it has. |
Domain(s) | core:Structure^{c} |
Range(s) | Composition^{c} |
IRI | https://w3id.org/mdo/structure/hasElement |
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Description | hasElement represents the relationship between a species and atoms it has. |
Domain(s) | Species^{c} |
Range(s) | http://purl.obolibrary.org/obo/CHEBI_33250^{c} |
IRI | https://w3id.org/mdo/structure/hasFractionalCoordinates |
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Description | hasFractionalCoordinates represents the relationship between a site and coordinates in fractional format it has. |
Domain(s) | Site^{c} |
Range(s) | CoordinateVector^{c} |
IRI | https://w3id.org/mdo/structure/hasLattice |
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Description | hasLattice represents the relationship between a structure and lattices in it has. |
Domain(s) | core:Structure^{c} |
Range(s) | Lattice^{c} |
IRI | https://w3id.org/mdo/structure/hasLengthVector |
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Description | hasLengthVector represents the relationship between a basis or a lattice and a length triple it has. |
Domain(s) | (Basis^{c} or Lattice^{c}) |
Range(s) | LengthTriple^{c} |
IRI | https://w3id.org/mdo/structure/hasOccupancy |
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Description | hasOccupancy represents the relationship between a structure and occupancies it has. |
Domain(s) | core:Structure^{c} |
Range(s) | Occupancy^{c} |
IRI | https://w3id.org/mdo/structure/hasPointGroup |
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Description | hasPointGroup represents the relationship between a space group and point groups it corresponds to. |
Domain(s) | SpaceGroup^{c} |
Range(s) | PointGroup^{c} |
IRI | https://w3id.org/mdo/structure/hasSite |
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Description | hasSite represents the relationship between an occupancy and sites it ties. |
Domain(s) | Occupancy^{c} |
Range(s) | Site^{c} |
IRI | https://w3id.org/mdo/structure/hasSpaceGroup |
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Description | hasSpaceGroup represents the relationship between a structure and a space group it corresponds to. |
Domain(s) | core:Structure^{c} |
Range(s) | SpaceGroup^{c} |
IRI | https://w3id.org/mdo/structure/hasSpecies |
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Description | hasSpecies represents the relationship between an occupancy and species it ties. |
Domain(s) | Occupancy^{c} |
Range(s) | Species^{c} |
IRI | https://w3id.org/mdo/structure/has_a_axisVector |
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Description | has_a_axisVector represents the relationship between an axis-vectors and a coordinate vector to define the coordiantes of the translation vector (a). |
Domain(s) | AxisVectors^{c} |
Range(s) | CoordinateVector^{c} |
IRI | https://w3id.org/mdo/structure/has_b_axisVector |
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Description | has_b_axisVector represents the relationship between an axis-vectors and a coordinate vector to define the coordiantes of the translation vector (b). |
Domain(s) | AxisVectors^{c} |
Range(s) | CoordinateVector^{c} |
IRI | https://w3id.org/mdo/structure/has_c_axisVector |
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Description | has_c_axisVector represents the relationship between an axis-vectors and a coordinate vector to define the coordiantes of the translation vector (c). |
Domain(s) | AxisVectors^{c} |
Range(s) | CoordinateVector^{c} |
IRI | http://purl.obolibrary.org/obo/chebi/formula |
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IRI | https://w3id.org/mdo/structure/Angle_alpha |
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Description | Angle_alpha represents that an angle triple has the alpha angle's value in a double. |
Domain(s) | AngleTriple^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/Angle_beta |
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Description | Angle_beta represents that an angle triple has the beta angle's value in a double. |
Domain(s) | AngleTriple^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/Angle_gamma |
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Description | Angle_gamma represents that an angle triple has the gamma angle's value in a double. |
Domain(s) | AngleTriple^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/AnonymousFormula |
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Description | AnonymousFormula represents that a composition has the anonymous formula in a string. |
Domain(s) | Composition^{c} |
Range(s) | xsd:string^{c} |
IRI | https://w3id.org/mdo/structure/DescriptiveFormula |
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Description | DescriptiveFormula represents that a composition has the descriptive formula in a string. |
Domain(s) | Composition^{c} |
Range(s) | xsd:string^{c} |
IRI | https://w3id.org/mdo/structure/ElementRatio |
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Description | ElementRatio represents that a species has the ratio in a double. |
Domain(s) | Species^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/HillFormula |
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Description | HillFormula represents that a composition has the hill formula in a string. |
Domain(s) | Composition^{c} |
Range(s) | xsd:string^{c} |
IRI | https://w3id.org/mdo/structure/LatticeType |
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Description | LatticeType represents that a lattice has the type in a string. |
Domain(s) | Lattice^{c} |
Range(s) | xsd:string^{c} |
IRI | https://w3id.org/mdo/structure/LatticeVolume |
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Description | LatticeVolume represents that a lattice has the volume in a double. |
Domain(s) | Lattice^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/Length_a |
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Description | Length_a represents that a length triple has the 'a' value in a double. |
Domain(s) | LengthTriple^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/Length_b |
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Description | Length_b represents that a length triple has the 'b' value in a double. |
Domain(s) | LengthTriple^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/Length_c |
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Description | Length_c represents that a length triple has the 'c' value in a double. |
Domain(s) | LengthTriple^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/PointGroupHMName |
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Description | PointGroupHMName represents that a point group has the Hermann-Mauguin in a string. |
Domain(s) | PointGroup^{c} |
Range(s) | xsd:string^{c} |
IRI | https://w3id.org/mdo/structure/ReducedFormula |
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Description | ReducedFormula represents that a composition has the reduced formula in a string. |
Domain(s) | Composition^{c} |
Range(s) | xsd:string^{c} |
IRI | https://w3id.org/mdo/structure/SpaceGroupID |
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Description | SpaceGroupID represents that a space group has the unique ID in an integer. |
Domain(s) | SpaceGroup^{c} |
Range(s) | xsd:integer^{c} |
IRI | https://w3id.org/mdo/structure/SpaceGroupSymbol |
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Description | SpaceGroupSymbol represents that a space group has the symbol in a string. |
Domain(s) | SpaceGroup^{c} |
Range(s) | xsd:string^{c} |
IRI | https://w3id.org/mdo/structure/X_axisCoordinate |
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Description | X_axisCoordinate represents that a coordinate vector has the value of a coordinate in a double in X axis. |
Domain(s) | CoordinateVector^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/Y_axisCoordinate |
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Description | Y_axisCoordinate represents that a coordinate vector has the value of a coordinate in a double in Y axis. |
Domain(s) | CoordinateVector^{c} |
Range(s) | xsd:double^{c} |
IRI | https://w3id.org/mdo/structure/Z_axisCoordinate |
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Description | Z_axisCoordinate represents that a coordinate vector has the value of a coordinate in a double in Z axis. |
Domain(s) | CoordinateVector^{c} |
Range(s) | xsd:double^{c} |
IRI | http://purl.org/dc/terms/contributor |
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IRI | http://purl.org/dc/terms/created |
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IRI | http://purl.org/dc/terms/creator |
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IRI | http://purl.org/dc/terms/license |
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IRI | http://purl.org/dc/terms/title |
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IRI | http://purl.org/vocab/vann/preferredNamespacePrefix |
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IRI | http://purl.org/vocab/vann/preferredNamespaceUri |
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https://w3id.org/mdo/structure/
https://w3id.org/mdo/core/
http://purl.org/dc/terms/
http://www.w3.org/2002/07/owl#
http://www.w3.org/ns/prov#
http://www.w3.org/1999/02/22-rdf-syntax-ns#
http://www.w3.org/2000/01/rdf-schema#
https://schema.org/
http://www.w3.org/2004/02/skos/core#
http://purl.org/vocab/vann/
http://www.w3.org/XML/1998/namespace
http://www.w3.org/2001/XMLSchema#
^{c} | Classes |
^{op} | Object Properties |
^{fp} | Functional Properties |
^{dp} | Data Properties |
^{dp} | Annotation Properties |
^{p} | Properties |
^{ni} | Named Individuals |