MAXRD SYMBOL

GetElements

GetElements[formula]
returns a list of the chemical elements contained in formula.

GetElements[crystal]
returns a list of all chemical elements contained in $CrystalData for crystal.

Details and OptionsDetails and Options

  • Each element will only appear once in output.
  • Options:
  • "IgnoreIonCharge"Trueignore the charge of ions
    "Tally"Falsewhether to count the number of various elements
  • If the elements of a crystal is queried, the function will first lookup the key "ChemicalFormula" in $CrystalData and execute that string. If the key is missing, a list of the atom species found in "AtomData" will be returned.

ExamplesExamplesopen allclose all

Basic Examples  (3)Basic Examples  (3)

The chemical formula can be strings with whitespace separating the elements:

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The formulas may also be formatted strings with subscripts:

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Parentheses and duplicate elements are handled:

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Scope  (2)Scope  (2)

Options  (2)Options  (2)

Possible Issues  (2)Possible Issues  (2)

Mathematica code  (1)Mathematica code  (1)

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