{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T16:03:16Z","timestamp":1790697796766,"version":"4.1.0"},"reference-count":51,"publisher":"Wiley","issue":"20","license":[{"start":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T00:00:00Z","timestamp":1775001600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T00:00:00Z","timestamp":1775001600000},"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":["EXC2089\/1\u2010390776260"],"award-info":[{"award-number":["EXC2089\/1\u2010390776260"]}],"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":[[2026,5,11]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Inorganic antiperovskites with the formula\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                    \u00a0=\u00a0Ba, Sr, Ca, Mg;\n                    <jats:italic>A<\/jats:italic>\n                    \u00a0=\u00a0As, Sb) have recently been reported to exhibit excellent optoelectronic properties including small carrier effective masses, suitable direct bandgaps, high optical absorption coefficients as well as allowed optical transitions at the band edges. Using the ammonothermal method, we have synthesized the imide antiperovskites\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>5<\/jats:sub>\n                    <jats:italic>Pn<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\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                    = As, Sb, Bi). The crystal structures of\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>5<\/jats:sub>\n                    <jats:italic>Pn<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    (NH)\n                    <jats:sub>2<\/jats:sub>\n                    were solved and refined in the orthorhombic space group\n                    <jats:italic>Pbam<\/jats:italic>\n                    by single\u2010crystal x\u2010ray diffraction (scXRD), and further confirmed using powder X\u2010ray diffraction (pXRD) and Raman spectroscopy. Depending on the ion size ratio between\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sup>2+<\/jats:sup>\n                    and\n                    <jats:italic>Pn<\/jats:italic>\n                    <jats:sup>3\u2013<\/jats:sup>\n                    , different degrees of octahedral tilting can be observed. Soft X\u2010ray spectroscopy was used to study the band gap and electronic structure, and revealed the presence of oxygen impurities. The\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>5<\/jats:sub>\n                    <jats:italic>Pn<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    (NH)\n                    <jats:sub>2<\/jats:sub>\n                    compounds can further react to form the ternary antiperovskites\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>3<\/jats:sub>\n                    <jats:italic>Pn<\/jats:italic>\n                    N. Density functional theory calculations reveal favorable transport and optical properties. Narrow direct band gaps in the range of 0.87\u20131.76\u00a0eV could be verified experimentally, making\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>5<\/jats:sub>\n                    <jats:italic>Pn<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    (NH)\n                    <jats:sub>2<\/jats:sub>\n                    not only suitable as precursor materials for the corresponding\n                    <jats:italic>AE<\/jats:italic>\n                    <jats:sub>3<\/jats:sub>\n                    <jats:italic>Pn<\/jats:italic>\n                    N antiperovskites, but also as promising candidates for solar cell absorber materials.\n                  <\/jats:p>","DOI":"10.1002\/anie.1423389","type":"journal-article","created":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T09:29:31Z","timestamp":1775035771000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Band Gap Tuneability in Antiperovskite\u2010Based Nitrides\n                    <i>AE<\/i>\n                    <sub>3<\/sub>\n                    <i>Pn<\/i>\n                    N and Imides\n                    <i>AE<\/i>\n                    <sub>5<\/sub>\n                    <i>Pn<\/i>\n                    <sub>2<\/sub>\n                    (NH)\n                    <sub>2<\/sub>\n                    (\n                    <i>AE<\/i>\n                    = Ca, Sr;\n                    <i>Pn<\/i>\n                    = As, Sb, Bi)"],"prefix":"10.1002","volume":"65","author":[{"given":"Thanh G.","family":"Chau","sequence":"first","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Florian","family":"Wolf","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dan","family":"Han","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering Jilin University  Changchun China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"family":"Saloni","sequence":"additional","affiliation":[{"name":"Department of Physics and Engineering Physics University of Saskatchewan  Saskatoon Saskatchewan Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Teak D.","family":"Boyko","sequence":"additional","affiliation":[{"name":"Canadian Light Source  Saskatoon Saskatchewan Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stefan S.","family":"Rudel","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thomas","family":"Bein","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  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)  Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexander","family":"Moewes","sequence":"additional","affiliation":[{"name":"Department of Physics and Engineering Physics University of Saskatchewan  Saskatoon Saskatchewan Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wolfgang","family":"Schnick","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for NanoScience (CeNS) University of Munich (LMU)  Munich 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