{"paper":{"title":"High-energy-density and superhard nitrogen-rich B-N compounds","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Hanyu Liu, Jian Hao, John S. Tse, Siyu Lu, Yinwei Li","submitted_at":"2015-08-14T06:57:55Z","abstract_excerpt":"The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principles calculations with structure searching to predict a new class of nitrogen-rich boron nitrides with a stoichiometry of B3N5 that are stable or metastable relative to solid N2 and h-BN at ambient pressure. The most stable phase at ambient pressure has a layered structure (h-B3N5) containing hexagonal B3N3 layers sandwiched with intercalated freely rotating N2 molecules. At 15 GPa, a three-dimensional C2221 structure "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1508.03427","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}