We report a dataset of 96,962 new crystal structures {discovered|found} and computed {using|utilizing|making use of|employing|working with|applying} our previously published autonomous, density functional theory (DFT) {based|primarily based}, active-learning workflow named CAMD (Computational Autonomy for {Materials|Supplies|Components} Discovery). {Of these|Of those}, 931 are {within|inside} 1 meV/atom {of the|from the|in the|on the|with the|of your} convex hull and 27,075 are {within|inside} 200 meV/atom {of the|from the|in the|on the|with the|of your} convex hull. The dataset {contains|consists of|includes} DFT-optimized pymatgen crystal structure objects, DFT-computed formation energies and phase stability calculations {from the|in the} convex hull. It {contains|consists of|includes} {a variety of|a number of|many different|various|a range of|several different} spacegroups and symmetries derived from crystal prototypes derived from {known|recognized|identified} experimental compounds, and was generated from active {learning|studying|understanding|finding out|mastering} campaigns of {various|numerous|different|a variety of|several|many} chemical systems. This dataset {can be|may be|could be|might be|is often|is usually} {used|utilized|employed|utilised|applied|made use of} to benchmark future active-learning or generative efforts for structure prediction, to seed new efforts of experimental crystal structure discovery, or to construct new models of structure-property relationships. 2241720-34-1 manufacturer 1-Bromo-2-fluorobenzene Chemical name PMID:24834360
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