Materials Science Calculators

Free browser-based calculators for crystal density, XRD diffraction, thermal analysis, powder characterization and battery electrode coating. No sign-up, nothing leaves your device.

Crystal Structure & Diffraction

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Theoretical crystal density and XRD angle conversions.

Crystal Density Calculator

Compute theoretical density from unit cell parameters, formula weight and Z.

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Bragg's Law Calculator

Convert between d-spacing and 2-theta, or index peaks of a cubic unit cell.

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Scherrer Equation Calculator

Turn XRD peak width into crystallite size, with instrumental broadening correction and Williamson-Hall strain separation.

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XRD Peak Indexing

Assign hkl to a cubic powder pattern, refine the lattice parameter, and find the reflections that should be there but are not.

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Powder & Thermal Analysis

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Particle size distributions and thermogravimetric mass-loss steps.

Particle Size Distribution

Compute D10, D50, D90, mean and span from a particle size distribution.

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TGA Mass-Loss Calculator

Turn thermogravimetric steps into per-step mass loss and final residue.

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BET Surface Area

Fit a nitrogen isotherm to the BET equation, check the pressure window, and get surface area plus equivalent particle diameter.

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DSC Crystallinity

Melting enthalpy to degree of crystallinity, with cold crystallisation subtracted and filler loading corrected.

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Synthesis & Battery Electrodes

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Solid-state batching and electrode coating calculations.

Solid-State Synthesis Calculator

Convert a target product mass into precursor weighing amounts by molar ratio.

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Battery Electrode Coating Calculator

Relate areal capacity, loading, coating thickness and N/P ratio for battery electrodes.

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Theoretical Capacity

Theoretical mAh/g from a chemical formula and its electron count, with element mass fractions and specific energy.

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