Computational Material Sample Ontology (CMSO)
CMSO is an ontology that aims to describe computational materials science samples (or structures). Initially focusing on the description at the atomic scale.
has angle
has atom
has basis
has composition
has defect
has element
has lattice
has lattice parameter
has length
has material
has occupancy
has position vector
has simulation cell
has space group
has species
has structure
has unit cell
has vector
has alternative name
has angle alpha
has angle beta
has angle gamma
has chemical symbol
has component x
has component y
has component z
has coordination number
has element ratio
has lattice system
has length x
has length y
has length z
has name
has number of atoms
has repetition x
has repetition y
has repetition z
has space group number
has space group symbol
has symbol
has volume
Amorphous Material
Angle
Atom
Atomic Scale Sample
Basis
Bravais Lattice
Chemical Composition
Chemical Element
Chemical Species
Computational Sample
Crystal Defect
Crystal Structure
Crystalline Material
Lattice
Lattice Angle
Lattice Parameter
Lattice Vector
Length
Macroscale Sample
Material
Mesoscale Sample
Microscale Sample
Microstructure
Molecule
Nanoscale Sample
Occupancy
Position Vector
Simulation Cell
Simulation Cell Angle
Simulation Cell Length
Simulation Cell Vector
Space Group
Structure
Unit Cell
Vector