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Phys.: Condens. Matter"],"published-print":{"date-parts":[[2026,10,16]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Recent studies of sulfides have highlighted their potential for exploring unique superconductors under pressure. Here we combine crystal structure predictions with\n                    <jats:italic>ab initio<\/jats:italic>\n                    calculations on the crystal structures, electronic structures and superconducting properties of the In\u2013S system within 80 GPa. We predicted six unique In\u2013S sulfides within five stoichiometries. Among them, In\n                    <jats:sub>2<\/jats:sub>\n                    S-\n                    <jats:italic>C<\/jats:italic>\n                    2\/\n                    <jats:italic>m,<\/jats:italic>\n                    InS-\n                    <jats:italic>Fm<\/jats:italic>\n                    -3\n                    <jats:italic>m<\/jats:italic>\n                    and InS-\n                    <jats:italic>Pmmn<\/jats:italic>\n                    are thermodynamically stable within certain pressure ranges, whereas In\n                    <jats:sub>3<\/jats:sub>\n                    S-\n                    <jats:italic>P<\/jats:italic>\n                    4\/\n                    <jats:italic>nmm<\/jats:italic>\n                    , InS\n                    <jats:sub>5<\/jats:sub>\n                    -\n                    <jats:italic>P<\/jats:italic>\n                    2\n                    <jats:sub>1<\/jats:sub>\n                    \/\n                    <jats:italic>m<\/jats:italic>\n                    and InS\n                    <jats:sub>6<\/jats:sub>\n                    -\n                    <jats:italic>P<\/jats:italic>\n                    -6 are meta-stable. With the increase of S content, we can observe varied contributions to electronic structures from In and S atoms, and the S-rich phases correspond to better superconductivity in our predicted In\u2013S sulfides. In particular, the S-rich sulfides of InS\n                    <jats:sub>5<\/jats:sub>\n                    -\n                    <jats:italic>P<\/jats:italic>\n                    2\n                    <jats:sub>1<\/jats:sub>\n                    \/\n                    <jats:italic>m<\/jats:italic>\n                    and InS\n                    <jats:sub>6<\/jats:sub>\n                    -\n                    <jats:italic>P<\/jats:italic>\n                    -6 stand out with the estimated\n                    <jats:italic>T<\/jats:italic>\n                    <jats:sub>c<\/jats:sub>\n                    of about 11 K at 40 GPa and 13 K at 20 GPa, respectively. By analyzing the correlation between bond strength and\n                    <jats:italic>T<\/jats:italic>\n                    <jats:sub>c<\/jats:sub>\n                    values of other six binary sulfide systems, we summarized preliminary strategies for designing superconducting sulfides. Our work is helpful for further understanding the phase diagram of In\u2013S system under high pressure, and could provide theoretical support for studying unique superconducting sulfides in experiments.\n                  <\/jats:p>","DOI":"10.1088\/1361-648x\/aeae00","type":"journal-article","created":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T22:54:37Z","timestamp":1790722477000},"page":"415701","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Novel phases and superconductivity in indium sulfides under pressure"],"prefix":"10.1088","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-8929-8206","authenticated-orcid":true,"given":"Bangshuai","family":"Zhu","sequence":"first","affiliation":[{"name":"ShanghaiTech University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dexi","family":"Shao","sequence":"additional","affiliation":[{"name":"Hangzhou Normal University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cuiying","family":"Pei","sequence":"additional","affiliation":[{"name":"ShanghaiTech University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qi","family":"Wang","sequence":"additional","affiliation":[{"name":"ShanghaiTech University"},{"name":"ShanghaiTech University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1456-1215","authenticated-orcid":true,"given":"Juefei","family":"Wu","sequence":"additional","affiliation":[{"name":"ShanghaiTech University"},{"name":"ShanghaiTech University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2722-1375","authenticated-orcid":true,"given":"Yanpeng","family":"Qi","sequence":"additional","affiliation":[{"name":"ShanghaiTech University"},{"name":"ShanghaiTech University"},{"name":"ShanghaiTech University"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2026,10,20]]},"reference":[{"key":"cmaeae00bib1","doi-asserted-by":"publisher","first-page":"73","DOI":"10.1038\/nature14964","type":"journal-article","volume":"525","author":"Drozdov","year":"2015","journal-title":"Nature"},{"key":"cmaeae00bib2","doi-asserted-by":"publisher","first-page":"6968","DOI":"10.1038\/srep06968","type":"journal-article","volume":"4","author":"Duan","year":"2014","journal-title":"Sci. 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All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2026-04-30","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-09-29","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-10-20","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}