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Such materials by design from scratching on multi-component complex crystal systems are challenging. Here, we predict, through density function calculations and unbiased structure searching techniques, the formation of quaternary NaBeBO\n                    <jats:sub>3<\/jats:sub>\n                    compounds at ambient pressure. Among the four low-energy phases, the\n                    <jats:italic>P<\/jats:italic>\n                    6\n                    <jats:sub>3<\/jats:sub>\n                    \/\n                    <jats:italic>m<\/jats:italic>\n                    structure exhibits a DUV cutoff edge of 20\u2009nm shorter than \u03b1-BaB\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>4<\/jats:sub>\n                    (189\u2009nm) \u2013 the best-known DUV birefringent material. While the\n                    <jats:italic>P<\/jats:italic>\n                    -6 structure exhibits one time second-harmonic generation efficiency of KH\n                    <jats:sub>2<\/jats:sub>\n                    PO\n                    <jats:sub>4<\/jats:sub>\n                    and possesses excellent crystal growth habit without showing any layer habit as observed in the only available DUV nonlinear optical material KBe\n                    <jats:sub>2<\/jats:sub>\n                    BO\n                    <jats:sub>3<\/jats:sub>\n                    F\n                    <jats:sub>2<\/jats:sub>\n                    , whose layer habit limits its wide industrial applications. These NaBeBO\n                    <jats:sub>3<\/jats:sub>\n                    structures are promising candidates for the next generation of DUV optical materials, and the structure prediction technique will shed light on future optical materials design.\n                  <\/jats:p>","DOI":"10.1038\/srep34839","type":"journal-article","created":{"date-parts":[[2016,10,13]],"date-time":"2016-10-13T05:26:25Z","timestamp":1476336385000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":27,"title":["Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications"],"prefix":"10.1038","volume":"6","author":[{"given":"Qiang","family":"Bian","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhihua","family":"Yang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ying","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chao","family":"Cao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shilie","family":"Pan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2016,10,13]]},"reference":[{"key":"BFsrep34839_CR1","doi-asserted-by":"crossref","first-page":"953","DOI":"10.1038\/457953a","volume":"457","author":"D Cyranoski","year":"2009","unstructured":"Cyranoski, D. 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