periodictable

qcelemental.periodictable = <qcelemental.periodic_table.PeriodicTable object>

Nuclear and mass data about chemical elements from NIST.

Parameters

None

qcelemental.A

Mass number, number of protons and neutrons, starting with 0 for dummies.

Type

List[int]

qcelemental.Z

Atomic number, number of protons, starting with 0 for dummies.

Type

List[int]

qcelemental.E

Element symbol from periodic table, starting with “X” for dummies. “Fe” capitalization.

Type

List[str]

qcelemental.EA

Nuclide symbol in E + A form, e.g., “Li6”. List EA is a superset of E; that is, both “Li6” and “Li” present. For hydrogen, “D” and “T” also included.

Type

List[str]

qcelemental.mass

Atomic mass [u].

  • For nuclides (e.g., “Li6”), the reported mass.

  • For stable elements (e.g., “Li”), the mass of the most abundant isotope (“Li7”).

  • For unstable elements (e.g., “Pu”), the mass of the longest-lived isotope (“Pu244”).

Type

List[decimal.Decimal]

qcelemental.name

Element name from periodic table, starting with “Dummy”. “Iron” capitalization.

Type

List[str]