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Hence, within advanced structure search and first\u2010principle calculations, several unprecedented Y\u2212P compounds (e.\u2009g., Y<jats:sub>3<\/jats:sub>P, Y<jats:sub>2<\/jats:sub>P, Y<jats:sub>3<\/jats:sub>P<jats:sub>2<\/jats:sub>, Y<jats:sub>2<\/jats:sub>P<jats:sub>3<\/jats:sub>, YP<jats:sub>2<\/jats:sub>, and YP<jats:sub>3<\/jats:sub>) were identified under compression. Interestingly, as phosphorus content increases, P atoms exhibit diverse behaviors corresponding to standalone anion, dumbbell, zigzag chain, planar sheet, crossing chain\u2010like network, buckled layer, three\u2010dimensional framework, and wrinkled layer. Particularly, <jats:italic>Fd<\/jats:italic>\u20103<jats:italic>m<\/jats:italic> YP<jats:sub>2<\/jats:sub> can be viewed as assemblage of diamond\u2010like Y structure and rare vertex\u2010sharing tetrahedral P<jats:sub>4<\/jats:sub>\u2005units. Impressively, electron\u2010phonon coupling (EPC) calculations elucidate that <jats:italic>Pm<\/jats:italic>\u20103<jats:italic>m<\/jats:italic> Y<jats:sub>3<\/jats:sub>P possesses the highest superconducting critical temperature <jats:italic>T<\/jats:italic><jats:sub>c<\/jats:sub> of 10.2\u2005K among binary transition metal phosphides. Remarkably, the EPC of <jats:italic>Pm<\/jats:italic>\u20103<jats:italic>m<\/jats:italic> Y<jats:sub>3<\/jats:sub>P mainly arises from the contribution of low\u2010frequency soft phonon modes, whereas mid\u2010frequency phonon modes of <jats:italic>Fd<\/jats:italic>\u20103<jats:italic>m<\/jats:italic> YP<jats:sub>2<\/jats:sub> dominate. These results strengthen knowledge of metal phosphides and pave a way for seeking superconductive transition metal phosphides.<\/jats:p>","DOI":"10.1002\/chem.202103179","type":"journal-article","created":{"date-parts":[[2021,10,6]],"date-time":"2021-10-06T21:01:02Z","timestamp":1633554062000},"page":"17420-17427","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Emerging Yttrium Phosphides with Tetrahedron Phosphorus and Superconductivity under High Pressures"],"prefix":"10.1002","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1747-6713","authenticated-orcid":false,"given":"Kaixuan","family":"Zhao","sequence":"first","affiliation":[{"name":"Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University  Changchun 130024 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4998-9417","authenticated-orcid":false,"given":"Hong","family":"Yu","sequence":"additional","affiliation":[{"name":"Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University  Changchun 130024 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6304-6220","authenticated-orcid":false,"given":"Qiuping","family":"Yang","sequence":"additional","affiliation":[{"name":"Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University  Changchun 130024 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9399-0397","authenticated-orcid":false,"given":"Wenjing","family":"Li","sequence":"additional","affiliation":[{"name":"Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University  Changchun 130024 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1902-3515","authenticated-orcid":false,"given":"Fanjunjie","family":"Han","sequence":"additional","affiliation":[{"name":"Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University  Changchun 130024 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2394-5421","authenticated-orcid":false,"given":"Hanyu","family":"Liu","sequence":"additional","affiliation":[{"name":"International Center for Computational Method &amp; Software and State Key Laboratory of Superhard Materials College of Physics Jilin University  Changchun 130012 China"},{"name":"Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education) College of Physics Jilin University  Changchun 130012 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0971-8831","authenticated-orcid":false,"given":"Shoutao","family":"Zhang","sequence":"additional","affiliation":[{"name":"Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University  Changchun 130024 China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2021,10,22]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200503603"},{"key":"e_1_2_7_1_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200503603"},{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr000039m"},{"key":"e_1_2_7_3_1","first-page":"1","author":"Nilges T.","year":"2018","journal-title":"Encycl. 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