Active learning potentials for first-principles phase diagrams using replica-exchange nested sampling

Active-learned training databases for Si, Ge and Ti generated and analysed in the article "Active learning potentials for first-principles phase diagrams using replica-exchange nested sampling" pubslihed in npj Computational Materials. For each compound, Initial databases (evaluated_0.extxyz) and sampled configurations at each iteration i (evaluated_i.extxyz) are provided, labelled by DFT at the level of r2SCAN employing the parameters described in the article.