This ontology maps the python module on the periodic table of elements from pymatgen to an Element ontology. All the attributes are mapped as data properties of appropriate type.
Atomic number as integer
Atomic number
Atomic mass as float in units of amu
Atomic mass
Atomic orbitals as a string as printed for a python dict from pymatgen
Atomic orbitals
Atomic radius as float in units of angstroms as listed in the wikipedia
Atomic radius
Calculated atomic radius as float in units of angstroms as listed in the wikipedia
Calculated atomic radius
Average anionic radius as a float in units of angstroms
Average anionic radius
Average cationic radius as a float in units of angstroms
Average cationic radius
Average ionic radius as a float in units of angstroms
Average ionic radius
Block in the periodic table as a string
Block in the periodic table
Boiling point as a float in units of Kelvin
Boiling point
Brinell hardness as a float in units of MN / m^2
Brinell hardness
Bulk modulus as a float in units of GPa
Bulk modulus
Coefficient of linear thermal expansion as a string as printed by pymatgen. It contains a float followed by the units K^-1.
Coefficient of linear thermal expansion
List of common oxidation states as a string
Common Oxidation States
Critical temperature as a float in units of Kelvin
Critical temperature
Density of solid as a float in units of kg / m^3
Density of solid
Electrical resistivity as a string literal with real number and units as printed from pymatgen
Electrical resistivity
Pauling electronegativity as a float
Pauling electronegativity
Electronic structure relative to an noble gas as a string
Electronic structure
Full electronic structure as a string printed from a list of lists.
Full Electronic Structure
Group in the periodic table as an integer
Group in the periodic table
Ionic radii as a string as printed for a list by pymatgen
Ionic radii
Boolean value True if the element is actinoid, else False
is actinoid
Boolean value True if the element is alkali, else False
is alkali
Boolean value True if the element is alkaline earth metal of Group II, else False
is alkaline
Boolean value True if element is chalcogen, else False.
is chalcogen
Boolean value True if the element is halogen, else False
is halogen
Boolean value True if the element is lanthanoid, else False
is lanthanoid
Boolean value True if the element is a metalloid else, False
is metalloid
Boolean value True if element is a noble gas, else False.
is noble gas
Boolean value True if element is pnictogen, else False.
is pnictogen
Boolean value True if the element is a post transition metal, else False
is post transition metal
Boolean value True if the element is a rare earth metal, else False
is rare earth metal
Boolean value True if the element is a transition metal, else False.
is transition metal
Liquid range as a float in units of Kelvin
Liquid range
Long name of the element as a string
long name
Maximum oxidation state as an integer
Maximum Oxidation State
Melting point as a float in units of Kelvin
Melting point
Mendeleev number as an integer from the definition given by D.G. Pettifor, 1984
Mendeleev number
Minimum oxidation state as an integer
Minimum Oxidation State
Mineral hardness as a float in the Moh's scale
Mineral hardness
Molar volume as a float in units of cm^3
Molar volume
Atomic number as an integer
atomic number
List of oxidation states as a string
Oxidation States
Poissons ratio as a float
Poissons ratio
Reflectivity as a float
Reflectivity
Refractive index as a float
Refractive index
Rigidity modulus as a float in units of GPa
Rigidity modulus
Row in the periodic table as an integer
Row in the periodic table
Superconduction temperature as a float in units of Kelvin
Superconduction temperature
Element symbol
atomic symbol
Thermal conductivity as a float in units of W/mK
Thermal conductivity
Van der Waals radius as float in units of angstroms as listed in the wikipedia
Van der Waals radius
Velocity of sound as a float in units of m/s
Velocity of sound
Vickers hardness as a float in units of MN / m^2
Vickers hardness
Youngs modulus as a float in units of GPa
Youngs modulus