MAXRD SYMBOL

CrystalDensity

CrystalDensity[crystal]
calculates the mass density of crystal.

Details and OptionsDetails and Options

  • Output will always be given in .
  • If the key "MassDensity" is contained in $CrystalData for the crystal, it will be returned. If the number of formula units per unit cell, , is present in $CrystalData for the given crystal, the density is calculated from:
    • Click for copyable input
  • where is the molar mass per formula unit, is the unit cell volume and is Avogadro's number.
    If not, the density is calculated by dividing the total mass of the stored atomdata by the unit cell volume. Both site multiplicity and occupation factors are considered when counting the number of atoms.
  • Options:
  • "Units"Truewhether to return output as Quantity

ExamplesExamplesopen allclose all

Basic Examples  (2)Basic Examples  (2)

There are three formula units in the unit cell of quartz, but the function does not require that input.

In[1]:=
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Out[1]=
In[1]:=
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Out[1]=
In[2]:=
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Out[2]=

Scope  (1)Scope  (1)

Options  (1)Options  (1)

Possible Issues  (1)Possible Issues  (1)

Mathematica code  (1)Mathematica code  (1)

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