Fig. 4: Robotic synthesis results of target materials from traditional versus predicted precursors.
From: Navigating phase diagram complexity to guide robotic inorganic materials synthesis
a, Table of the phase purity of 35 targets obtained from predicted precursors using the highest phase purity from various firing temperatures, compared to traditional precursors. Colour of ‘Precursor comparison’ column compares purity from predicted precursors versus traditional precursors, where green means predicted precursors achieve >10% better purity, light green means they have purities within ±10% and red means traditional precursors achieve >10% better purity. Targets with blue colour star are metastable materials. The same colour scheme is used in panels b–d. b, Heat map of phase purity of predicted precursors at different calcination temperatures. c, The target phase purity from predicted precursors versus traditional precursors. Phase purity methods in Supplementary Note 2.2.3. d, Reaction energies and inverse hull energies for all targets. The marker shape corresponds to the best phase purity of predicted precursors, where diamonds are high purity, circles are moderate and low purity, and crosses with a red outline mean that both predicted precursors and traditional precursors failed. The red box represents the low thermodynamic driving force regions where kinetic process may be rate limiting. The dashed line represents when the inverse hull energy equals the reaction energy. Inset, convex hull illustrating the reaction energy and the inverse hull energy.
