{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,12]],"date-time":"2026-10-12T11:33:08Z","timestamp":1791804788853,"version":"4.3.4"},"reference-count":51,"publisher":"Wiley","issue":"17","license":[{"start":{"date-parts":[[2025,2,25]],"date-time":"2025-02-25T00:00:00Z","timestamp":1740441600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2025,2,25]],"date-time":"2025-02-25T00:00:00Z","timestamp":1740441600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["EXC 2089\/1-390776260"],"award-info":[{"award-number":["EXC 2089\/1-390776260"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"published-print":{"date-parts":[[2025,4,17]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    An abundance of oxide, halide and chalcogenide perovskites have been explored, demonstrating outstanding properties, while the emerging nitride perovskites are extremely rare due to their challenging synthesis requirements. By inverting the ion type in the perovskite structure, the corresponding antiperovskite structure is obtained. Among them, ternary antiperovskite nitrides\n                    <jats:italic>X<\/jats:italic>\n                    <jats:sub>3<\/jats:sub>\n                    <jats:italic>A<\/jats:italic>\n                    N (\n                    <jats:italic>X<\/jats:italic>\n                    =Ba, Sr, Ca, Mg;\n                    <jats:italic>A<\/jats:italic>\n                    =As, Sb) have recently been identified as exhibiting excellent optoelectronic properties. To explore the unrealized composition space of nitride perovskites, the ammonothermal method was applied, yielding three new layered quaternary imide\u2010based defect\u2010antiperovskites, namely\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>5<\/jats:sub>\n                    As\n                    <jats:italic>Pn<\/jats:italic>\n                    (NH)\n                    <jats:sub>2<\/jats:sub>\n                    (\n                    <jats:italic>AE<\/jats:italic>\n                    =Ca, Sr;\n                    <jats:italic>Pn<\/jats:italic>\n                    =Sb, Bi). These new compounds feature distorted square\u2010pyramidal coordination around the imide\u2010group (Ca\n                    <jats:sub>5<\/jats:sub>\n                    NH). Layers with Ca\n                    <jats:sup>2+<\/jats:sup>\n                    vacancies are found with an alternating As\n                    <jats:sup>3\u2212<\/jats:sup>\n                    and\n                    <jats:italic>Pn<\/jats:italic>\n                    <jats:sup>3\u2212<\/jats:sup>\n                    (\n                    <jats:italic>Pn<\/jats:italic>\n                    <jats:sup>3\u2212<\/jats:sup>\n                    =Sb\n                    <jats:sup>3\u2212<\/jats:sup>\n                    , Bi\n                    <jats:sup>3\u2212<\/jats:sup>\n                    ) coordination along the\n                    <jats:italic>A<\/jats:italic>\n                    \u2010site, forming a two\u2010dimensional (2D) structure. All three\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>5<\/jats:sub>\n                    As\n                    <jats:italic>Pn<\/jats:italic>\n                    (NH)\n                    <jats:sub>2<\/jats:sub>\n                    compounds show suitable direct band gaps within the visible light spectrum. Density functional theory calculations reveal favorable band dispersion, as well as transport and optical properties, especially along the out\u2010of\u2010plane direction, demonstrating their 3D character of electronic transport. The narrow tunable direct band gaps and favorable charge carrier properties make\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>5<\/jats:sub>\n                    As\n                    <jats:italic>Pn<\/jats:italic>\n                    (NH)\n                    <jats:sub>2<\/jats:sub>\n                    promising candidates for solar cell absorber materials.\n                  <\/jats:p>","DOI":"10.1002\/anie.202500768","type":"journal-article","created":{"date-parts":[[2025,2,10]],"date-time":"2025-02-10T23:27:57Z","timestamp":1739230077000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Defect Imide Double Antiperovskites\n                    <i>AE<\/i>\n                    <sub>5<\/sub>\n                    As\n                    <i>Pn<\/i>\n                    (NH)\n                    <sub>2<\/sub>\n                    (\n                    <i>AE<\/i>\n                    =Ca, Sr;\n                    <i>Pn<\/i>\n                    =Sb, Bi) as Potential Solar Cell Absorber Materials"],"prefix":"10.1002","volume":"64","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-6276-5515","authenticated-orcid":false,"given":"Thanh G.","family":"Chau","sequence":"first","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Butenandtstr. 5\u201313 81377 Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1890-4043","authenticated-orcid":false,"given":"Dan","family":"Han","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Butenandtstr. 5\u201313 81377 Munich Germany"},{"name":"School of Materials Science and Engineering Jilin University  Changchun 130012 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5876-8114","authenticated-orcid":false,"given":"Florian","family":"Wolf","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Butenandtstr. 5\u201313 81377 Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7718-466X","authenticated-orcid":false,"given":"Stefan S.","family":"Rudel","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Butenandtstr. 5\u201313 81377 Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6620-5736","authenticated-orcid":false,"given":"Yuxuan","family":"Yao","sequence":"additional","affiliation":[{"name":"Theoretical Chemistry and Catalysis Research Center Technical University Munich  Lichtenbergstr. 4 85747 Garching Germany"},{"name":"Theoretical Physics VII University of Bayreuth  Universit\u00e4tsstr. 30 95447 Bayreuth Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5791-6736","authenticated-orcid":false,"given":"Harald","family":"Oberhofer","sequence":"additional","affiliation":[{"name":"Theoretical Physics VII University of Bayreuth  Universit\u00e4tsstr. 30 95447 Bayreuth Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7248-5906","authenticated-orcid":false,"given":"Thomas","family":"Bein","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Butenandtstr. 5\u201313 81377 Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hubert","family":"Ebert","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Butenandtstr. 5\u201313 81377 Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4571-8035","authenticated-orcid":false,"given":"Wolfgang","family":"Schnick","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Butenandtstr. 5\u201313 81377 Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,2,25]]},"reference":[{"key":"e_1_2_8_1_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1243982"},{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature18306"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.joule.2018.04.026"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/nl504046x"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.8b04320"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.8b04178"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.nanoen.2019.104317"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1039\/D0NR08078K"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsenergylett.3c00658"},{"key":"e_1_2_8_10_1","doi-asserted-by":"crossref","unstructured":"E. Riedel C. Janiak Anorganische Chemie 8th Ed ed. De Gruyter Berlin New York 2011.","DOI":"10.1515\/9783110225679"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.556047"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202108759"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.2c01282"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.abm3466"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.matt.2023.10.022"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4952393"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jssc.2021.122246"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c06403"},{"key":"e_1_2_8_19_1","first-page":"1","volume":"4","author":"Mochizuki Y.","year":"2020","journal-title":"Phys. Rev. Mater."},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.9b02380"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.1c00096"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsmaterialsau.1c00026"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2023.112188"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1551-2916.2010.03711.x"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1039\/b926757c"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.200900573"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.200600248"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2023.215484"},{"key":"e_1_2_8_29_1","doi-asserted-by":"publisher","DOI":"10.1515\/znb-2021-0097"},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1039\/B413534B"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmat4166"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jre.2023.01.002"},{"key":"e_1_2_8_33_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja506254g"},{"key":"e_1_2_8_34_1","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201800115"},{"key":"e_1_2_8_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-5088(79)90250-9"},{"key":"e_1_2_8_36_1","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.200300312"},{"key":"e_1_2_8_37_1","unstructured":"Deposition Number(s)2412540 (for Sr5AsBiN2H2inCm) 2412541 (for Ca5AsSbN2H2inCm) 2412542 (for Ca5AsSbN2H2) 2412543 (for Ca5AsBiN2H2) 2412544 (for Sr5AsBiN2H2)contain(s) the supplementary crystallographic data for this paper. These data are provided free of charge by the joint Cambridge Crystallographic Data Centre and Fachinformationszentrum KarlsruheAccess Structures service."},{"key":"e_1_2_8_38_1","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.201800295"},{"key":"e_1_2_8_39_1","doi-asserted-by":"publisher","DOI":"10.1016\/0926-2040(93)90007-A"},{"key":"e_1_2_8_40_1","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.201300063"},{"key":"e_1_2_8_41_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.0c00944"},{"key":"e_1_2_8_42_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.64.054101"},{"key":"e_1_2_8_43_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja504185m"},{"key":"e_1_2_8_44_1","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.19744090209"},{"key":"e_1_2_8_45_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201306281"},{"key":"e_1_2_8_46_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.94.125139"},{"key":"e_1_2_8_47_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202002632"},{"key":"e_1_2_8_48_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsenergylett.7b00606"},{"key":"e_1_2_8_49_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsenergylett.0c02482"},{"key":"e_1_2_8_50_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.9b02379"},{"key":"e_1_2_8_51_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202108132"}],"container-title":["Angewandte Chemie International Edition"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/anie.202500768","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/anie.202500768","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/anie.202500768","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T14:15:45Z","timestamp":1775916945000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.202500768"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,2,25]]},"references-count":51,"journal-issue":{"issue":"17","published-print":{"date-parts":[[2025,4,17]]}},"alternative-id":["10.1002\/anie.202500768"],"URL":"https:\/\/doi.org\/10.1002\/anie.202500768","archive":["Portico"],"relation":{},"ISSN":["1433-7851","1521-3773"],"issn-type":[{"value":"1433-7851","type":"print"},{"value":"1521-3773","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,2,25]]},"assertion":[{"value":"2025-01-09","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-02-25","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e202500768"}}