Computational Discovery of New Feasible Crystal Structures in Ce3O3N
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DOI: 10.3390/cryst13050774
Abstract: Oxynitrides of cerium are expected to have many useful properties but have not been synthesized so far. We identified possible modifications of a not-yet-synthesized Ce3O3N compound, combining global search (GS) and data mining (DM) methods.… read more here.
Keywords: computational discovery; structure; discovery new; structure candidates ... See more keywords