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LiFePO₄: from formula to theoretical specific capacity

Reproduce this calculation in the online tool using LiFePO4 and one electron per formula unit. It gives theoretical specific capacity of the active material itself; these are not measured battery results.

Elemental mass contributions for LiFePO4 and its assumed one-electron theoretical-capacity calculation: M=157.755 g/mol and Q=169.893 mAh/g.
Original calculation graphic using the site’s CIAAW 2024 abridged atomic weights and F=96485.33212 C/mol, assuming one electron transferred per formula unit.
  1. Enter the formula

    Open the theoretical-capacity calculator and enter LiFePO4 with the shown capitalisation. To inspect elemental contributions first, enter the same formula in the molecular-weight calculator.

  2. State the electron count

    Set the electron count n to 1 and calculate. This is an assumed reaction stoichiometry; the software does not infer the reversible electron count from the formula alone.

  3. Verify mass and equation

    M=6.94+55.845+30.974+4×15.999=157.755 g/mol. Q=nF/(3.6M) gives 169.893 mAh/g, commonly rounded to 170 mAh/g.

  4. Match the mass basis before comparison

    This value uses pure LiFePO4 active-material mass. If experimental capacity uses total electrode, composite or cell mass, reconcile that denominator before comparison.

Check your result

Molar mass M
157.755 g/mol
Electrons n
1 / formula unit
Theoretical capacity Q
169.893 mAh/g

How to interpret it

  • The denominator is active material mass, not total electrode or cell mass.
  • This is a theoretical calculation for the stated n=1 assumption; reversibility, voltage window, kinetics and side reactions require experimental assessment.

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