AQVolt26 is a new high-temperature halide dataset that improves universal ML interatomic potentials for distorted configurations while showing that near-equilibrium relaxation data is not universally helpful.
OBELiX: A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
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AQVolt26: High-Temperature r$^2$SCAN Halide Dataset for Universal ML Potentials and Solid-State Batteries
AQVolt26 is a new high-temperature halide dataset that improves universal ML interatomic potentials for distorted configurations while showing that near-equilibrium relaxation data is not universally helpful.