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 |
---|
IRI | http://purl.obolibrary.org/obo/CHEBI_33250 |
---|---|
Restrictions |
http://purl.obolibrary.org/obo/chebi/formuladp exactly 1 |
In range of |
hasElementop |
IRI | https://w3id.org/mdo/structure/AngleTriple |
---|---|
Description |
A angle triple is a vector of three angles which represent the angles among three bases in a cell. |
Restrictions |
Angle_alphadp exactly 1 Angle_betadp exactly 1 Angle_gammadp exactly 1 |
In domain of |
Angle_gammadp Angle_alphadp Angle_betadp |
In range of |
hasAngleVectorop |
IRI | https://w3id.org/mdo/structure/AxisVectors |
---|---|
Description |
An axis-vectors is the three vectors which represent the bases of cell. |
Super-classes |
(Nb5cc15ae61b24a749754a105c5c10368c and Ne2a9328155e04002beb9aad2a1215366c and N9e949946f1214ce3881461b66c68b562c) |
In domain of |
has_a_axisVectorop has_c_axisVectorop has_b_axisVectorop |
In range of |
hasAxisVectorsop |
IRI | https://w3id.org/mdo/structure/Basis |
---|---|
Description |
A basis defines a spatial unit used to express fractional coordinates. |
Super-classes |
(N4b38ca34272049a3be67f9d6852804cfc or Ne8d3c24b2d4d4366a99a76838145c5e9c) |
In range of |
hasBasisop |
IRI | https://w3id.org/mdo/structure/Composition |
---|---|
Description |
A composition is used to represent what chemical elements composing a structure and the ratio of the chemical elements. |
In domain of |
AnonymousFormuladp HillFormuladp DescriptiveFormuladp ReducedFormuladp |
In range of |
hasCompositionop |
IRI | https://w3id.org/mdo/structure/CoordinateVector |
---|---|
Description |
A coordinate vector is the coordinates of a point in space. |
Restrictions |
Y_axisCoordinatedp exactly 1 Z_axisCoordinatedp exactly 1 X_axisCoordinatedp exactly 1 |
In domain of |
X_axisCoordinatedp Y_axisCoordinatedp Z_axisCoordinatedp |
In range of |
has_c_axisVectorop has_a_axisVectorop has_b_axisVectorop hasCartesianCoordinatesop hasFractionalCoordinatesop |
IRI | https://w3id.org/mdo/structure/Lattice |
---|---|
Description |
A lattice defines a peroidic arrangement of one or more atoms. |
Super-classes |
(N61ef2b61f3df4f9386dab08115e8ef8ac or Nc2020e163a6542028093a8c546de61f8c) |
In domain of |
LatticeTypedp LatticeVolumedp |
In range of |
hasLatticeop |
IRI | https://w3id.org/mdo/structure/LengthTriple |
---|---|
Description |
A length triple defines the three parameters (a, b, c) that represent the lengths in three axes respectively. |
Restrictions |
Length_cdp exactly 1 Length_bdp exactly 1 Length_adp exactly 1 |
In domain of |
Length_adp Length_bdp Length_cdp |
In range of |
hasLengthVectorop |
IRI | https://w3id.org/mdo/structure/Occupancy |
---|---|
Description |
An occupancy ties a specific species to a site. |
Super-classes |
(N659391ac237140bbadd7d03ca2af6d12c and N2d51f464328a46b98610207505b59705c and Ne3235c146c3244b0aab5453e21bfde2cc and N2e37e65ac430443c9f1a43060f0dfd2fc) (N659391ac237140bbadd7d03ca2af6d12c and N2d51f464328a46b98610207505b59705c and Ne3235c146c3244b0aab5453e21bfde2cc and N2e37e65ac430443c9f1a43060f0dfd2fc) |
In domain of |
hasSpeciesop hasSiteop |
In range of |
hasOccupancyop |
IRI | https://w3id.org/mdo/structure/PointGroup |
---|---|
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 |
---|---|
Description |
A site is a point in a lattice. |
Super-classes |
(N9c50e134629040c3a1f8cd0db3714c7cc and N55ff0c3dd83d46f3842f286cf60c9c44c and Nfcf8266929184d12b219ff1a85038fcbc and N610eb15f9ff04557b32def9fb9aa0754c) (N9c50e134629040c3a1f8cd0db3714c7cc and N55ff0c3dd83d46f3842f286cf60c9c44c and Nfcf8266929184d12b219ff1a85038fcbc and N610eb15f9ff04557b32def9fb9aa0754c) |
In domain of |
hasCartesianCoordinatesop hasFractionalCoordinatesop |
In range of |
hasSiteop |
IRI | https://w3id.org/mdo/structure/SpaceGroup |
---|---|
Description |
A space group is the symmetry group of a three-dimensional crystal pattern is called its space group. |
Super-classes |
(Nf56317dca4134d93b42197d1d4b89099c and Nd9e0baf2e82845b49122aa410e007735c) |
Restrictions |
SpaceGroupIDdp exactly 1 SpaceGroupSymboldp exactly 1 |
In domain of |
hasPointGroupop SpaceGroupSymboldp SpaceGroupIDdp |
In range of |
hasSpaceGroupop |
IRI | https://w3id.org/mdo/structure/Species |
---|---|
Description |
A species is the combination of atoms on each site. |
Restrictions |
hasElementop exactly 1 http://purl.obolibrary.org/obo/CHEBI_33250c |
In domain of |
ElementRatiodp hasElementop |
In range of |
hasSpeciesop |
IRI | https://w3id.org/mdo/structure/hasAngleVector |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
Description | hasElement represents the relationship between a species and atoms it has. |
Domain(s) | Speciesc |
Range(s) | http://purl.obolibrary.org/obo/CHEBI_33250c |
IRI | https://w3id.org/mdo/structure/hasFractionalCoordinates |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 | http://purl.obolibrary.org/obo/chebi/formula |
---|
IRI | https://w3id.org/mdo/structure/Angle_alpha |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 |
---|---|
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 | http://purl.org/dc/terms/contributor |
---|
IRI | http://purl.org/dc/terms/created |
---|
IRI | http://purl.org/dc/terms/creator |
---|
IRI | http://purl.org/dc/terms/license |
---|
IRI | http://purl.org/dc/terms/title |
---|
IRI | http://purl.org/vocab/vann/preferredNamespacePrefix |
---|
IRI | http://purl.org/vocab/vann/preferredNamespaceUri |
---|
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 |