{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T20:45:20Z","timestamp":1792010720484,"version":"4.4.0"},"reference-count":71,"publisher":"Royal Society of Chemistry (RSC)","issue":"45","license":[{"start":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T00:00:00Z","timestamp":1790640000000},"content-version":"vor","delay-in-days":271,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100000038","name":"Natural Sciences and Engineering Research Council of Canada","doi-asserted-by":"publisher","award":["RGPIN-2020-04145"],"award-info":[{"award-number":["RGPIN-2020-04145"]}],"id":[{"id":"10.13039\/501100000038","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Adv."],"abstract":"<jats:p>\n                    Experimental discovery of monoclinic SrSiSe\n                    <jats:sub>3<\/jats:sub>\n                    and structural reassessment of BaGeSe\n                    <jats:sub>3<\/jats:sub>\n                    reveal distinct edge- and corner-sharing tetrahedral motifs, highlighting the crucial need for experimental synthesis over pure DFT predictions.\n                  <\/jats:p>","DOI":"10.1039\/d6ra08053g","type":"journal-article","created":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T11:05:29Z","timestamp":1790679929000},"page":"58516-58524","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structures and electronic structures of SrSiSe\n                    <sub>3<\/sub>\n                    and BaGeSe\n                    <sub>3<\/sub>"],"prefix":"10.1039","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0009-0002-1366-7587","authenticated-orcid":false,"given":"Tristan","family":"Licskai","sequence":"first","affiliation":[{"name":"Department of Chemistry and Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6401-8478","authenticated-orcid":false,"given":"Abdeljalil","family":"Assoud","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1020-9046","authenticated-orcid":false,"given":"Ehsan","family":"Niknam","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6777-6140","authenticated-orcid":false,"given":"Holger","family":"Kleinke","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6RA08053G\/cit1\/1","doi-asserted-by":"crossref","first-page":"11656","DOI":"10.1021\/acs.inorgchem.9b01608","volume":"58","author":"Jafarzadeh","year":"2019","journal-title":"Inorg. Chem."},{"key":"D6RA08053G\/cit2\/1","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/j.jallcom.2009.12.141","volume":"493","author":"Cui","year":"2010","journal-title":"J. Alloys Compd."},{"key":"D6RA08053G\/cit3\/1","doi-asserted-by":"crossref","first-page":"2508","DOI":"10.1021\/acsaem.2c03941","volume":"6","author":"Guo","year":"2023","journal-title":"ACS Appl. Energy Mater."},{"key":"D6RA08053G\/cit4\/1","doi-asserted-by":"crossref","first-page":"975","DOI":"10.1515\/znb-2004-0905","volume":"59","author":"Assoud","year":"2004","journal-title":"Z. Naturforsch. B:Chem. Sci."},{"key":"D6RA08053G\/cit5\/1","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1016\/j.jssc.2015.06.015","volume":"229","author":"Azam","year":"2015","journal-title":"J. Solid State Chem."},{"key":"D6RA08053G\/cit6\/1","doi-asserted-by":"crossref","first-page":"7868","DOI":"10.1021\/acs.chemmater.7b02638","volume":"29","author":"Zhu","year":"2017","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit7\/1","doi-asserted-by":"crossref","first-page":"4771","DOI":"10.1021\/acs.chemmater.6b01832","volume":"28","author":"Shin","year":"2016","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit8\/1","doi-asserted-by":"crossref","first-page":"1606945","DOI":"10.1002\/adma.201606945","volume":"29","author":"Shin","year":"2017","journal-title":"Adv. Mater."},{"key":"D6RA08053G\/cit9\/1","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1002\/pssr.201004425","volume":"5","author":"Badikov","year":"2011","journal-title":"Phys. Status Solidi RRL"},{"key":"D6RA08053G\/cit10\/1","doi-asserted-by":"crossref","first-page":"3034","DOI":"10.1021\/acs.chemmater.9b01023","volume":"31","author":"Guo","year":"2019","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit11\/1","doi-asserted-by":"crossref","first-page":"2007","DOI":"10.1016\/j.optmat.2013.12.028","volume":"36","author":"Guo","year":"2014","journal-title":"Opt. Mater."},{"key":"D6RA08053G\/cit12\/1","doi-asserted-by":"crossref","first-page":"10998","DOI":"10.1039\/C5TC02337H","volume":"3","author":"Li","year":"2015","journal-title":"J. Mater. Chem. C"},{"key":"D6RA08053G\/cit13\/1","first-page":"4580","volume":"09","author":"Phogat","year":"2024","journal-title":"Eng. Technol. J."},{"key":"D6RA08053G\/cit14\/1","doi-asserted-by":"crossref","first-page":"22087","DOI":"10.1039\/D3TA03564F","volume":"11","author":"Santos","year":"2023","journal-title":"J. Mater. Chem. A"},{"key":"D6RA08053G\/cit15\/1","doi-asserted-by":"crossref","first-page":"2450","DOI":"10.1021\/acs.chemmater.9b04985","volume":"32","author":"Cen","year":"2020","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit16\/1","first-page":"1","volume":"2","author":"Bade","year":"2026","journal-title":"J. Mater. Sci.:Mater. Energy"},{"key":"D6RA08053G\/cit17\/1","doi-asserted-by":"crossref","first-page":"2488","DOI":"10.1021\/acsomega.5c04962","volume":"11","author":"Zaqa","year":"2026","journal-title":"ACS Omega"},{"key":"D6RA08053G\/cit18\/1","doi-asserted-by":"crossref","first-page":"3359","DOI":"10.1021\/acs.chemmater.4c00088","volume":"36","author":"Das","year":"2024","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit19\/1","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1021\/acsenergylett.5c02909","volume":"11","author":"Patil","year":"2026","journal-title":"ACS Energy Lett."},{"key":"D6RA08053G\/cit20\/1","doi-asserted-by":"crossref","first-page":"1341","DOI":"10.1557\/s43578-022-00538-w","volume":"37","author":"Kushwah","year":"2022","journal-title":"J. Mater. Res."},{"key":"D6RA08053G\/cit21\/1","doi-asserted-by":"crossref","first-page":"9365","DOI":"10.1039\/D5NR05277G","volume":"18","author":"Donohoe","year":"2026","journal-title":"Nanoscale"},{"key":"D6RA08053G\/cit22\/1","doi-asserted-by":"crossref","first-page":"4074","DOI":"10.3390\/molecules30204074","volume":"30","author":"Zhang","year":"2025","journal-title":"Molecules"},{"key":"D6RA08053G\/cit23\/1","doi-asserted-by":"crossref","first-page":"158304","DOI":"10.1016\/j.apsusc.2023.158304","volume":"639","author":"Geng","year":"2023","journal-title":"Appl. Surf. Sci."},{"key":"D6RA08053G\/cit24\/1","doi-asserted-by":"crossref","first-page":"1215","DOI":"10.1021\/nn304563j","volume":"7","author":"Korala","year":"2013","journal-title":"ACS Nano"},{"key":"D6RA08053G\/cit25\/1","doi-asserted-by":"crossref","first-page":"1517","DOI":"10.1103\/PhysRevLett.76.1517","volume":"76","author":"Kagan","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D6RA08053G\/cit26\/1","doi-asserted-by":"crossref","first-page":"12415","DOI":"10.1039\/C9TC04164H","volume":"7","author":"Deng","year":"2019","journal-title":"J. Mater. Chem. C"},{"key":"D6RA08053G\/cit27\/1","doi-asserted-by":"crossref","first-page":"234708","DOI":"10.1063\/5.0298915","volume":"163","author":"Chakravorty","year":"2025","journal-title":"J. Chem. Phys."},{"key":"D6RA08053G\/cit28\/1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.6c02391","author":"Licskai","year":"2026","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit29\/1","doi-asserted-by":"crossref","first-page":"285","DOI":"10.1021\/acs.inorgchem.2c03373","volume":"62","author":"Menezes","year":"2023","journal-title":"Inorg. Chem."},{"key":"D6RA08053G\/cit30\/1","doi-asserted-by":"crossref","first-page":"994","DOI":"10.1002\/(SICI)1521-3765(20000317)6:6<994::AID-CHEM994>3.0.CO;2-H","volume":"6","author":"Johrendt","year":"2000","journal-title":"Chem. - Eur. J."},{"key":"D6RA08053G\/cit31\/1","first-page":"426","volume":"52","author":"Hahn","year":"1965","journal-title":"Naturwissenschaften"},{"key":"D6RA08053G\/cit32\/1","doi-asserted-by":"crossref","first-page":"1512","DOI":"10.1021\/ic00134a048","volume":"21","author":"Machida","year":"1982","journal-title":"Inorg. Chem."},{"key":"D6RA08053G\/cit33\/1","doi-asserted-by":"crossref","first-page":"386","DOI":"10.1107\/S0567740882003045","volume":"38","author":"Machida","year":"1982","journal-title":"Acta Crystallogr. Sect. B:Struct. Sci."},{"key":"D6RA08053G\/cit34\/1","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1107\/S0108768183002402","volume":"39","author":"Marsh","year":"1983","journal-title":"Acta Crystallogr. Sect. B:Struct. Sci."},{"key":"D6RA08053G\/cit35\/1","doi-asserted-by":"crossref","first-page":"5187","DOI":"10.1021\/cm502850m","volume":"45","author":"Evans","year":"2014","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit36\/1","doi-asserted-by":"crossref","first-page":"2096","DOI":"10.2138\/am.2013.4470","volume":"98","author":"Xiao","year":"2013","journal-title":"Am. Mineral."},{"key":"D6RA08053G\/cit37\/1","first-page":"1086","volume":"233","author":"Nadezhina","year":"1977","journal-title":"Dokl. Akad. Nauk SSSR"},{"key":"D6RA08053G\/cit38\/1","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1107\/S0108270196013960","volume":"53","author":"Nishi","year":"1997","journal-title":"Acta Crystallogr. Sect. C:Cryst. Struct. Commun."},{"key":"D6RA08053G\/cit39\/1","first-page":"573","volume":"7","author":"Hilmer","year":"1963","journal-title":"Sov. Phys. Crystallogr."},{"key":"D6RA08053G\/cit40\/1","doi-asserted-by":"crossref","first-page":"280","DOI":"10.2465\/jmps.180605","volume":"113","author":"Nakatsuka","year":"2018","journal-title":"J. Mineral. Petrol. Sci."},{"key":"D6RA08053G\/cit41\/1","doi-asserted-by":"crossref","first-page":"7666","DOI":"10.1021\/acs.inorgchem.0c00664","volume":"59","author":"Chantelle","year":"2020","journal-title":"Inorg. Chem."},{"key":"D6RA08053G\/cit42\/1","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1016\/j.materresbull.2004.11.004","volume":"40","author":"Glerup","year":"2005","journal-title":"Mater. Res. Bull."},{"key":"D6RA08053G\/cit43\/1","doi-asserted-by":"crossref","first-page":"716","DOI":"10.2138\/am-2021-7910","volume":"107","author":"Moulton","year":"2022","journal-title":"Am. Mineral."},{"key":"D6RA08053G\/cit44\/1","doi-asserted-by":"crossref","first-page":"648","DOI":"10.2138\/am.2007.2314","volume":"92","author":"Yusa","year":"2007","journal-title":"Am. Mineral."},{"key":"D6RA08053G\/cit45\/1","doi-asserted-by":"crossref","first-page":"3542","DOI":"10.1021\/acs.inorgchem.0c00155","volume":"59","author":"Wan","year":"2020","journal-title":"Inorg. Chem."},{"key":"D6RA08053G\/cit46\/1","doi-asserted-by":"crossref","first-page":"1101","DOI":"10.1107\/S0365110X62002947","volume":"15","author":"Hilmer","year":"1962","journal-title":"Acta Crystallogr."},{"key":"D6RA08053G\/cit47\/1","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1016\/j.jssc.2013.01.015","volume":"200","author":"Prodjosantoso","year":"2013","journal-title":"J. Solid State Chem."},{"key":"D6RA08053G\/cit48\/1","doi-asserted-by":"crossref","first-page":"789","DOI":"10.1016\/0025-5408(70)90093-0","volume":"5","author":"Yamaoka","year":"1970","journal-title":"Mater. Res. Bull."},{"key":"D6RA08053G\/cit49\/1","doi-asserted-by":"crossref","first-page":"105003","DOI":"10.1103\/PhysRevMaterials.5.105003","volume":"5","author":"Griesemer","year":"2021","journal-title":"Phys. Rev. Mater."},{"key":"D6RA08053G\/cit50\/1","volume-title":"Chalkogenogermanate Der \u00dcbergangselemente Mit Unedlen Metallen","author":"Tampier","year":"2002","unstructured":"M.Tampier ,  Chalkogenogermanate Der \u00dcbergangselemente Mit Unedlen Metallen ,  Heinrich Heine University ,  2002"},{"key":"D6RA08053G\/cit52\/1","volume-title":"Siemens Analytical X-Ray Systems","author":"Sheldrick","year":"1995","unstructured":"G. M.Sheldrick ,  Siemens Analytical X-Ray Systems ,  1995"},{"key":"D6RA08053G\/cit53\/1","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1107\/S0108767307043930","volume":"64","author":"Sheldrick","year":"2008","journal-title":"Acta Crystallogr. Sect. A:Fundam. Crystallogr."},{"key":"D6RA08053G\/cit54\/1","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1107\/S0021889802022112","volume":"36","author":"Spek","year":"2003","journal-title":"J. Appl. Crystallogr."},{"key":"D6RA08053G\/cit55\/1","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1107\/S090744490804362X","volume":"65","author":"Spek","year":"2009","journal-title":"Acta Crystallogr., Sect. D:Biol. Crystallogr."},{"key":"D6RA08053G\/cit56\/1","first-page":"395502","volume":"21","author":"Giannozzi","year":"2009","journal-title":"J. Phys.:Condens. Matter"},{"key":"D6RA08053G\/cit57\/1","first-page":"465901","volume":"29","author":"Giannozzi","year":"2017","journal-title":"J. Phys.:Condens. Matter"},{"key":"D6RA08053G\/cit58\/1","doi-asserted-by":"crossref","first-page":"154105","DOI":"10.1063\/5.0005082","volume":"152","author":"Giannozzi","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D6RA08053G\/cit59\/1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D6RA08053G\/cit60\/1","doi-asserted-by":"crossref","first-page":"16716","DOI":"10.1021\/acs.inorgchem.0c02709","volume":"59","author":"Xing","year":"2020","journal-title":"Inorg. Chem."},{"key":"D6RA08053G\/cit61\/1","doi-asserted-by":"crossref","first-page":"3033","DOI":"10.1021\/acs.chemmater.3c00415","volume":"35","author":"Menezes","year":"2023","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit62\/1","doi-asserted-by":"crossref","first-page":"5890","DOI":"10.1021\/acs.chemmater.0c02011","volume":"32","author":"Ran","year":"2020","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit63\/1","doi-asserted-by":"crossref","first-page":"518","DOI":"10.1107\/S0567740881003518","volume":"37","author":"Schmitz","year":"1981","journal-title":"Acta Crystallogr. Sect. B:Struct. Sci."},{"key":"D6RA08053G\/cit64\/1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1002\/zaac.19855240511","volume":"524","author":"Brinkmann","year":"1985","journal-title":"Z. Anorg. Allg. Chem."},{"key":"D6RA08053G\/cit65\/1","doi-asserted-by":"crossref","first-page":"3434","DOI":"10.1021\/acs.inorgchem.8b00220","volume":"57","author":"Nian","year":"2018","journal-title":"Inorg. Chem."},{"key":"D6RA08053G\/cit66\/1","doi-asserted-by":"crossref","first-page":"192","DOI":"10.1107\/S0108768190011041","volume":"47","author":"Brese","year":"1991","journal-title":"Acta Crystallogr. Sect. B:Struct. Sci."},{"key":"D6RA08053G\/cit67\/1","doi-asserted-by":"crossref","first-page":"1896","DOI":"10.1039\/D2MH00272H","volume":"9","author":"Yang","year":"2022","journal-title":"Mater. Horiz."},{"key":"D6RA08053G\/cit68\/1","doi-asserted-by":"crossref","first-page":"8189","DOI":"10.1021\/acs.chemmater.5b03649","volume":"27","author":"Liu","year":"2015","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit69\/1","doi-asserted-by":"crossref","first-page":"1289","DOI":"10.1021\/acs.chemmater.1c03987","volume":"34","author":"Li","year":"2022","journal-title":"Chem. Mater."},{"key":"D6RA08053G\/cit70\/1","doi-asserted-by":"crossref","first-page":"5013","DOI":"10.1039\/C6TA10607B","volume":"5","author":"zhi Zhang","year":"2017","journal-title":"J. Mater. Chem. A"},{"key":"D6RA08053G\/cit71a\/1","doi-asserted-by":"publisher","year":"2026","unstructured":"CCDC 2583081: Experimental Crystal Structure Determination ,  2026 ,  10.25505\/fiz.icsd.cc2spx6m","DOI":"10.25505\/fiz.icsd.cc2spx6m"},{"key":"D6RA08053G\/cit71b\/1","doi-asserted-by":"publisher","year":"2026","unstructured":"CCDC 2583082: Experimental Crystal Structure Determination ,  2026 ,  10.25505\/fiz.icsd.cc2spx7n","DOI":"10.25505\/fiz.icsd.cc2spx7n"}],"container-title":["RSC Advances"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/RA\/article-pdf\/doi\/10.1039\/D6RA08053G\/0\/D6RA08053G.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T19:57:44Z","timestamp":1792007864000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/RA\/article-lookup\/doi\/10.1039\/D6RA08053G"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":71,"journal-issue":{"issue":"45","published-print":{"date-parts":[[2026,10,14]]}},"URL":"https:\/\/doi.org\/10.1039\/d6ra08053g","relation":{},"ISSN":["2046-2069"],"issn-type":[{"value":"2046-2069","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}