formula = formula(obj)


result = formula(obj) returns chemical mass, density, cellvolume etc. of obj.


The formula of the crystal stored in the linked file will be printed onto the Command Window.

cryst = spinw('')


     Chemical formula:  Ca2O4Ru1
     Formula mass:       245.224 g/mol
     Formula in cell:          4 units
     Cell volume:        355.397 ų
     Density:              4.583 g/cm³

Name-Value Pair Arguments

spinw object.

Output Arguments

formula struct variable with the following fields:

  • m Mass of the unit cell in g/mol units.
  • V Calculated volume of the unit cell in length units (defined in spinw.unit).
  • rho Density in g/cm\(^3\).
  • chemlabel List of the different elements.
  • chemnum Number of the listed element names
  • chemform Chemical formula string.