classes

Classes:

Element(number, symbol, name[, group, …])	Chemical element.
Elements(*elements)	Ordered dict of Elements with lookup by number, symbol, and name.
HeavyHydrogen(*args, **kwargs)	Subclass of Element to handle the Heavy Hydrogen isotopes Deuterium and Tritium.
Isotope([mass, abundance, massnumber])	Isotope massnumber, relative atomic mass, and abundance.

Data:

IsotopeDict

Type alias for isotope dictionaries.

class Element(number, symbol, name, group=0, period=0, block='', series=0, mass=0.0, eleneg=0.0, eleaffin=0.0, covrad=0.0, atmrad=0.0, vdwrad=0.0, tboil=0.0, tmelt=0.0, density=0.0, eleconfig='', oxistates='', ionenergy=None, isotopes=None, description='')

Bases: Dictable

Chemical element.

Parameters

• number (int)

• symbol (str)

• name (str)

• group (int) – Default 0.

• period (int) – Default 0.

• block (str) – Default ''.

• series (int) – Default 0.

• mass (float) – Default 0.0.

• eleneg (float) – Default 0.0.

• eleaffin (float) – Default 0.0.

• covrad (float) – Default 0.0.

• atmrad (float) – Default 0.0.

• vdwrad (float) – Default 0.0.

• tboil (float) – Default 0.0.

• tmelt (float) – Default 0.0.

• density (float) – Default 0.0.

• eleconfig (str) – Default ''.

• oxistates (str) – Default ''.

• ionenergy (Optional[Tuple]) – Default None.

• isotopes (Optional[Dict[int, Union[Isotope, Tuple[float, float]]]]) – Default None.

• description (str) – Default ''.

Methods:

__repr__()	Return a string representation of the Element.
__str__()	Return str(self).
validate()	Check consistency of data.

Attributes:

atmrad	The Atomic radius in Angstrom.
block	The Block of the element in the periodic table.
covrad	The Covalent radius in Angstrom.
density	The density at 295K in g/cm3 respectively g/L.
description	A description of the element.
eleaffin	The electron affinity in eV.
eleconfig	The Ground state electron configuration.
eleconfig_dict	The ground state electron configuration.
electrons	The number of electrons in the element.
eleneg	The Electronegativity (Pauling scale).
eleshells	The number of electrons per shell as tuple.
exactmass	The relative atomic mass calculated from the isotopic composition.
group	The group of the element in the periodic table.
ionenergy	The ionization energies in eV.
isotopes	The Isotopic composition.
mass	The relative atomic mass.
molecular_weight	The relative atomic mass.
name	The name of the element in English.
neutrons	The number of neutrons in the most abundant natural stable isotope.
nominalmass	The mass number of the most abundant natural stable isotope.
number	The atomic number of the element.
oxistates	The oxidation states.
period	The Period of the element in the periodic table.
protons	The number of protons in the element.
series	Index to chemical series.
symbol	The chemical symbol of the element.
tboil	The boiling temperature in K.
tmelt	The melting temperature in K.
vdwrad	The Van der Waals radius in Angstrom.

__repr__()

Return a string representation of the Element.

Return type

str

__str__()

Return str(self).

Return type

str

property atmrad

The Atomic radius in Angstrom.

Return type

float

property block

The Block of the element in the periodic table.

Return type

str

property covrad

The Covalent radius in Angstrom.

Return type

float

property density

The density at 295K in g/cm3 respectively g/L.

Return type

float

property description

A description of the element.

Return type

str

property eleaffin

The electron affinity in eV.

Return type

float

property eleconfig

The Ground state electron configuration.

Return type

str

property eleconfig_dict

The ground state electron configuration.

Mapping of Tuple(shell, subshell): electrons.

Return type

Dict[Tuple, int]

property electrons

The number of electrons in the element.

Return type

int

property eleneg

The Electronegativity (Pauling scale).

Return type

float

property eleshells

The number of electrons per shell as tuple.

Return type

Tuple[int, …]

property exactmass

The relative atomic mass calculated from the isotopic composition.

Return type

float

property group

The group of the element in the periodic table.

Return type

int

property ionenergy

The ionization energies in eV.

Return type

Tuple

property isotopes

The Isotopic composition.

keys: isotope mass number

values: Isotope(relative atomic mass, abundance)

Return type

Dict[int, Isotope]

property mass

The relative atomic mass.

Ratio of the average mass of atoms.

Return type

float

property molecular_weight

The relative atomic mass.

Ratio of the average mass of atoms.

Return type

float

property name

The name of the element in English.

Return type

str

property neutrons

The number of neutrons in the most abundant natural stable isotope.

Return type

int

property nominalmass

The mass number of the most abundant natural stable isotope.

Return type

int

property number

The atomic number of the element.

Return type

int

property oxistates

The oxidation states.

Return type

str

property period

The Period of the element in the periodic table.

Return type

int

property protons

The number of protons in the element.

Return type

int

property series

Index to chemical series.

Return type

int

property symbol

The chemical symbol of the element.

Return type

str

property tboil

The boiling temperature in K.

Return type

float

property tmelt

The melting temperature in K.

Return type

float

validate()

Check consistency of data. Raise Error on failure.

property vdwrad

The Van der Waals radius in Angstrom.

Return type

float

class Elements(*elements)

Bases: object

Ordered dict of Elements with lookup by number, symbol, and name.

Parameters

*elements – The elements to add to the dictionary.

Methods:

__contains__(item)	Return key in self.
__getitem__(key)	Return self[key].
__iter__()
__len__()	rtype int
__repr__()	Return a string representation of the Elements.
__str__()	Return str(self).
add_alternate_spelling(element, spelling)	Adds an alternate spelling for an element.
split_isotope(string)

Attributes:

lower_names	The names of the elements, all in lowercase.
names	The names of the elements.
symbols	The symbols of the elements.

__contains__(item)

Return key in self.

Return type

bool

__getitem__(key)

Return self[key].

__iter__()

__len__()

Return type

int

__repr__()

Return a string representation of the Elements.

Return type

str

__str__()

Return str(self).

Return type

str

add_alternate_spelling(element, spelling)

Adds an alternate spelling for an element.

Parameters

• element (Element)

• spelling (str)

property lower_names

The names of the elements, all in lowercase.

Return type

List[str]

property names

The names of the elements.

Return type

List[str]

split_isotope(string)

property symbols

The symbols of the elements.

Return type

List[str]

class HeavyHydrogen(*args, **kwargs)

Bases: Element

Subclass of Element to handle the Heavy Hydrogen isotopes Deuterium and Tritium.

Parameters

• number

• symbol

• name

• group

• period

• block

• series

• mass

• eleneg

• eleaffin

• covrad

• atmrad

• vdwrad

• tboil

• tmelt

• density

• eleconfig

• oxistates

• ionenergy

• isotopes

• description

Chemical element.

Parameters

• number

• symbol

• name

• group

• period

• block

• series

• mass

• eleneg

• eleaffin

• covrad

• atmrad

• vdwrad

• tboil

• tmelt

• density

• eleconfig

• oxistates

• ionenergy

• isotopes

• description

Attributes:

as_isotope	Return the isotope in H[X] format.
nominalmass	Return mass number of most abundant natural stable isotope.

property as_isotope

Return the isotope in H[X] format.

Return type

str

property nominalmass

Return mass number of most abundant natural stable isotope.

Return type

int

class Isotope(mass=0.0, abundance=1.0, massnumber=0)

Bases: Dictable

Isotope massnumber, relative atomic mass, and abundance.

Parameters

• mass (float) – The mass of the isotope. Default 0.0.

• abundance (float) – The natural abundance of the isotope. Default 1.0.

• massnumber (int) – The mass number of the isotope. Default 0.

Methods:

__repr__()	Return a string representation of the Isotope.
__str__()	Return str(self).

Attributes:

abundance	The natural abundance of the isotope.
mass	The mass of the isotope.
massnumber	The mass number of the isotope.

__repr__()

Return a string representation of the Isotope.

Return type

str

__str__()

Return str(self).

Return type

str

property abundance

The natural abundance of the isotope.

Return type

float

property mass

The mass of the isotope.

Return type

float

property massnumber

The mass number of the isotope.

Return type

int

IsotopeDict

Type alias for isotope dictionaries.

Alias of Dict[int, Union[Isotope, Tuple[float, float]]]