https://w3id.org/mdo/structure/
This is the structure module in Materials Design Ontology.
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_gammadp exactly 1 Angle_alphadp exactly 1 Angle_betadp exactly 1 |
In domain of |
Angle_alphadp Angle_gammadp Angle_betadp |
In range of |
hasAngleVectorop |
IRI | https://w3id.org/mdo/structure/Atom |
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Restrictions |
formuladp exactly 1 |
In range of |
hasElementop |
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 |
(Nc3eb57cbadcc45578da61621f69db130c and N538aac98d15a43268a71a7ffe176ba44c and Neb4741faf6ec46afbfafa5d216d992e6c) |
In domain of |
has_b_axisVectorop has_c_axisVectorop has_a_axisVectorop |
In range of |
hasAxisVectorsop |
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 |
(N2045ae74b91f45ef8d42434ef3c76c2ec or N4d8af5857abe488f87f9dc97309fbc34c) |
In range of |
hasBasisop |
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 |
DescriptiveFormuladp ReducedFormuladp AnonymousFormuladp HillFormuladp |
In range of |
hasCompositionop |
IRI | https://w3id.org/mdo/structure/CoordinateVector |
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Description |
A coordinate vector is the coordinates of a point in space. |
Restrictions |
Z_axisCoordinatedp exactly 1 Y_axisCoordinatedp exactly 1 X_axisCoordinatedp exactly 1 |
In domain of |
Z_axisCoordinatedp X_axisCoordinatedp Y_axisCoordinatedp |
In range of |
has_c_axisVectorop hasFractionalCoordinatesop has_a_axisVectorop has_b_axisVectorop hasCartesianCoordinatesop |
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 |
(N94972e41f9d64393acfd7d806127e4c4c or Nc001a68099614b058eff10dcc9dab568c) |
In domain of |
LatticeTypedp LatticeVolumedp |
In range of |
hasLatticeop |
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_adp exactly 1 Length_bdp exactly 1 Length_cdp exactly 1 |
In domain of |
Length_adp Length_bdp Length_cdp |
In range of |
hasLengthVectorop |
IRI | https://w3id.org/mdo/structure/Occupancy |
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Description |
An occupancy ties a specific species to a site. |
Super-classes |
(Nf5d6a82d67f04029ac2faee5bca0402fc and N0c88a75c386642a19dc0b8a4b5100253c and N89ddfd2e2b3c4b78aeabc8f7bb53baf1c and Nfb7cb5d01ca34a9f90f97c0e220f0d57c) (Nf5d6a82d67f04029ac2faee5bca0402fc and N0c88a75c386642a19dc0b8a4b5100253c and N89ddfd2e2b3c4b78aeabc8f7bb53baf1c and Nfb7cb5d01ca34a9f90f97c0e220f0d57c) |
In domain of |
hasSpeciesop hasSiteop |
In range of |
hasOccupancyop |
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 |
PointGroupHMNamedp exactly 1 |
In domain of |
PointGroupHMNamedp |
In range of |
hasPointGroupop |
IRI | https://w3id.org/mdo/structure/Site |
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Description |
A site is a point in a lattice. |
Super-classes |
(N501f098fc995473d917579550e3130b7c and N946b5d380db84b35ac9b93133385897dc and N8456027a690a4bae952df121156a0414c and Nadc2563da6a74e99b83122bdc919e61cc) (N501f098fc995473d917579550e3130b7c and N946b5d380db84b35ac9b93133385897dc and N8456027a690a4bae952df121156a0414c and Nadc2563da6a74e99b83122bdc919e61cc) |
In domain of |
hasCartesianCoordinatesop hasFractionalCoordinatesop |
In range of |
hasSiteop |
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 |
(N4e6ad256f10047909be6630f05f6a814c and N14315080b8c84015804b489bd636f231c) |
Restrictions |
SpaceGroupSymboldp exactly 1 SpaceGroupIDdp exactly 1 |
In domain of |
SpaceGroupIDdp SpaceGroupSymboldp hasPointGroupop |
In range of |
hasSpaceGroupop |
IRI | https://w3id.org/mdo/structure/Species |
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Description |
A species is the combination of atoms on each site. |
Restrictions |
hasElementop exactly 1 Atomc |
In domain of |
hasElementop ElementRatiodp |
In range of |
hasSpeciesop |
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) | (Basisc or Latticec) |
Range(s) | AngleTriplec |
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) | (Basisc or Latticec) |
Range(s) | AxisVectorsc |
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:Structurec |
Range(s) | Basisc |
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) | Sitec |
Range(s) | CoordinateVectorc |
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:Structurec |
Range(s) | Compositionc |
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) | Speciesc |
Range(s) | Atomc |
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) | Sitec |
Range(s) | CoordinateVectorc |
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:Structurec |
Range(s) | Latticec |
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) | (Basisc or Latticec) |
Range(s) | LengthTriplec |
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:Structurec |
Range(s) | Occupancyc |
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) | SpaceGroupc |
Range(s) | PointGroupc |
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) | Occupancyc |
Range(s) | Sitec |
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:Structurec |
Range(s) | SpaceGroupc |
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) | Occupancyc |
Range(s) | Speciesc |
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) | AxisVectorsc |
Range(s) | CoordinateVectorc |
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) | AxisVectorsc |
Range(s) | CoordinateVectorc |
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) | AxisVectorsc |
Range(s) | CoordinateVectorc |
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) | AngleTriplec |
Range(s) | xsd:doublec |
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) | AngleTriplec |
Range(s) | xsd:doublec |
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) | AngleTriplec |
Range(s) | xsd:doublec |
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) | Compositionc |
Range(s) | xsd:stringc |
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) | Compositionc |
Range(s) | xsd:stringc |
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) | Speciesc |
Range(s) | xsd:doublec |
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) | Compositionc |
Range(s) | xsd:stringc |
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) | Latticec |
Range(s) | xsd:stringc |
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) | Latticec |
Range(s) | xsd:doublec |
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) | LengthTriplec |
Range(s) | xsd:doublec |
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) | LengthTriplec |
Range(s) | xsd:doublec |
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) | LengthTriplec |
Range(s) | xsd:doublec |
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) | PointGroupc |
Range(s) | xsd:stringc |
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) | Compositionc |
Range(s) | xsd:stringc |
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) | SpaceGroupc |
Range(s) | xsd:integerc |
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) | SpaceGroupc |
Range(s) | xsd:stringc |
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) | CoordinateVectorc |
Range(s) | xsd:doublec |
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) | CoordinateVectorc |
Range(s) | xsd:doublec |
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) | CoordinateVectorc |
Range(s) | xsd:doublec |
IRI | https://w3id.org/mdo/structure/formula |
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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/elements/1.1/
http://purl.org/dc/terms/
http://xmlns.com/foaf/0.1/
http://purl.obolibrary.org/obo/
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 |