{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,11]],"date-time":"2026-03-11T18:40:06Z","timestamp":1773254406573,"version":"3.50.1"},"reference-count":60,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100014786","name":"Northern Border University","doi-asserted-by":"publisher","award":["NBU-FFMRA-2025-2483-10"],"award-info":[{"award-number":["NBU-FFMRA-2025-2483-10"]}],"id":[{"id":"10.13039\/501100014786","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Graphics and Modelling"],"published-print":{"date-parts":[[2026,1]]},"DOI":"10.1016\/j.jmgm.2025.109197","type":"journal-article","created":{"date-parts":[[2025,10,18]],"date-time":"2025-10-18T16:00:14Z","timestamp":1760803214000},"page":"109197","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Structural and electronic effects of M- and X-site substitution in M4Ag2BiX9 (M = Cs, Rb; X = Br, I) layered Zintl halides"],"prefix":"10.1016","volume":"142","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0214-9960","authenticated-orcid":false,"given":"Memoona","family":"Mehmood","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nahida","family":"Kousar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Farah","family":"Andleeb","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohamed","family":"Hussien","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Salah","family":"Knani","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Muhammad","family":"Nasir Rasul","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.jmgm.2025.109197_bib1","series-title":"De Novis Quibusdam Fossilibus Quae in Montibus Uraliis Inveniuntur","author":"Rose","year":"1839"},{"key":"10.1016\/j.jmgm.2025.109197_bib2","doi-asserted-by":"crossref","unstructured":"Wells, H.L. \u00dcber die c\u00e4sium\u2010und kalium\u2010bleihalogenide. Z. Anorg. Chem. 1893, 3, 195-210.https:\/\/doi.org\/10.1002\/zaac.18930030124.","DOI":"10.1002\/zaac.18930030124"},{"key":"10.1016\/j.jmgm.2025.109197_bib3","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1149\/1.3071535","article-title":"High titania dielectrics","volume":"83","author":"Wainer","year":"1943","journal-title":"Transact. Electrochem. Soc."},{"key":"10.1016\/j.jmgm.2025.109197_bib4","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1143\/JPSJ.1.32","article-title":"On polymorphic change of BaTiO3","volume":"1","author":"Miyake","year":"1932","journal-title":"J. Phys. Soc. Jpn."},{"key":"10.1016\/j.jmgm.2025.109197_bib5","series-title":"Transducer and Method of Making the Same","author":"Gray","year":"1949"},{"key":"10.1016\/j.jmgm.2025.109197_bib6","first-page":"289","article-title":"History of ferroelectrics","volume":"3","author":"Cross","year":"1987","journal-title":"Ceramics and civilization"},{"key":"10.1016\/j.jmgm.2025.109197_bib7","doi-asserted-by":"crossref","first-page":"1436","DOI":"10.1038\/1821436a0","article-title":"Crystal structure and photoconductivity of caesium plumbohalides","volume":"182","author":"M\u00f8ller","year":"1958","journal-title":"Nature"},{"key":"10.1016\/j.jmgm.2025.109197_bib8","doi-asserted-by":"crossref","first-page":"12956","DOI":"10.1021\/acs.chemrev.6b00136","article-title":"Intriguing optoelectronic properties of metal halide perovskites","volume":"116","author":"Manser","year":"2016","journal-title":"Chem. Rev."},{"key":"10.1016\/j.jmgm.2025.109197_bib9","doi-asserted-by":"crossref","first-page":"933","DOI":"10.1016\/0038-1098(89)90935-6","article-title":"Exciton state in two-dimensional perovskite semiconductor (C10H21NH3) 2PbI4","volume":"69","author":"Ishihara","year":"1989","journal-title":"Solid State Commun."},{"key":"10.1016\/j.jmgm.2025.109197_bib10","doi-asserted-by":"crossref","first-page":"923","DOI":"10.1016\/0038-1098(91)90347-X","article-title":"Anomalous electro-absorption in the low-temperature phase of (C10H21NH3) 2PbI4","volume":"77","author":"Xu","year":"1991","journal-title":"Solid State Commun."},{"key":"10.1016\/j.jmgm.2025.109197_bib11","doi-asserted-by":"crossref","first-page":"245","DOI":"10.1016\/0038-1098(91)90643-A","article-title":"Optical third-harmonic generation in layered perovskite-type material (C10H21NH3) 2PbI4","volume":"79","author":"Xu","year":"1991","journal-title":"Solid State Commun."},{"key":"10.1016\/j.jmgm.2025.109197_bib12","doi-asserted-by":"crossref","first-page":"6961","DOI":"10.1103\/PhysRevB.45.6961","article-title":"Dielectric confinement effect on excitons in PbI 4-based layered semiconductors","volume":"45","author":"Hong","year":"1992","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.jmgm.2025.109197_bib13","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1016\/0038-1098(93)90092-2","article-title":"Magnetoreflection of the lowest exciton in a layered perovskite-type compound (C10H21NH3) 2PbI4","volume":"86","author":"Hirasawa","year":"1993","journal-title":"Solid State Commun."},{"key":"10.1016\/j.jmgm.2025.109197_bib14","doi-asserted-by":"crossref","first-page":"695","DOI":"10.1016\/0038-1098(94)00435-8","article-title":"Structural and electronic properties of the natural quantum-well system (C6H5CH2CH2NH3) 2SnI4","volume":"91","author":"Papavassiliou","year":"1994","journal-title":"Solid State Commun."},{"key":"10.1016\/j.jmgm.2025.109197_bib15","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1016\/0039-6028(92)91147-4","article-title":"Dielectric confinement effect for exciton and biexciton states in PbI4-based two-dimensional semiconductor structures","volume":"267","author":"Ishihara","year":"1992","journal-title":"Surf. Sci."},{"key":"10.1016\/j.jmgm.2025.109197_bib16","doi-asserted-by":"crossref","first-page":"240","DOI":"10.1039\/D4CP04052J","article-title":"Stacking interactions in stabilizing supramolecular assembly of M [9C] 2 M complexes: dynamic stability with remarkable nonlinear optical features","volume":"27","author":"Ahsin","year":"2025","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.jmgm.2025.109197_bib17","doi-asserted-by":"crossref","DOI":"10.1039\/D5NJ00827A","article-title":"Improving excited-state dynamic properties with the help of metalide character and excess electrons: earlier transition-metal pairing with superalkali clusters","author":"Ahsin","year":"2025","journal-title":"New J. Chem."},{"key":"10.1016\/j.jmgm.2025.109197_bib18","doi-asserted-by":"crossref","first-page":"2013","DOI":"10.1016\/0379-6779(94)03142-S","article-title":"Electroluminescent device using two dimensional semiconductor (C6H5C2H4NH3) 2PbI4 as an emitter","volume":"71","author":"Era","year":"1995","journal-title":"Synth. Met."},{"key":"10.1016\/j.jmgm.2025.109197_bib19","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1016\/0009-2614(96)00310-7","article-title":"Highly efficient electroluminescence from a heterostructure device combined with emissive layered-perovskite and an electron-transporting organic compound","volume":"254","author":"Hattori","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/j.jmgm.2025.109197_bib20","doi-asserted-by":"crossref","first-page":"3028","DOI":"10.1021\/cm990561t","article-title":"Electroluminescence from an organic\u2212 inorganic perovskite incorporating a quaterthiophene dye within lead halide perovskite layers","volume":"11","author":"Chondroudis","year":"1999","journal-title":"Chem. Mater."},{"key":"10.1016\/j.jmgm.2025.109197_bib21","doi-asserted-by":"crossref","first-page":"945","DOI":"10.1126\/science.286.5441.945","article-title":"Organic-inorganic hybrid materials as semiconducting channels in thin-film field-effect transistors","volume":"286","author":"Kagan","year":"1999","journal-title":"Science"},{"key":"10.1016\/j.jmgm.2025.109197_bib22","doi-asserted-by":"crossref","first-page":"3728","DOI":"10.1021\/cm010105g","article-title":"Structurally tailored organic\u2212 inorganic perovskites: optical properties and solution-processed channel materials for thin-film transistors","volume":"13","author":"Mitzi","year":"2001","journal-title":"Chem. Mater."},{"key":"10.1016\/j.jmgm.2025.109197_bib23","doi-asserted-by":"crossref","first-page":"7961","DOI":"10.1038\/ncomms8961","article-title":"Low surface recombination velocity in solution-grown CH3NH3PbBr3 perovskite single crystal","volume":"6","author":"Yang","year":"2015","journal-title":"Nat. Commun."},{"key":"10.1016\/j.jmgm.2025.109197_bib24","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1038\/nphoton.2015.213","article-title":"Observation of a hot-phonon bottleneck in lead-iodide perovskites","volume":"10","author":"Yang","year":"2016","journal-title":"Nat. Photonics"},{"key":"10.1016\/j.jmgm.2025.109197_bib25","doi-asserted-by":"crossref","first-page":"519","DOI":"10.1126\/science.aaa2725","article-title":"Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals","volume":"347","author":"Shi","year":"2015","journal-title":"Science"},{"key":"10.1016\/j.jmgm.2025.109197_bib26","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/natrevmats.2015.7","article-title":"Hybrid organic\u2014inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties","volume":"1","author":"Brenner","year":"2016","journal-title":"Nat. Rev. Mater."},{"key":"10.1016\/j.jmgm.2025.109197_bib27","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1007\/BF00591545","article-title":"\u00dcber die Struktur des K 2 NiF 4","volume":"40","author":"Balz","year":"1953","journal-title":"Naturwissenschaften"},{"key":"10.1016\/j.jmgm.2025.109197_bib28","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1039\/b007070j","article-title":"Templating and structural engineering in organic\u2013inorganic perovskites","author":"Mitzi","year":"2001","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"10.1016\/j.jmgm.2025.109197_bib29","doi-asserted-by":"crossref","first-page":"4446","DOI":"10.1021\/acs.inorgchem.8b03623","article-title":"Rb4Ag2BiBr9: a lead-free visible light absorbing halide semiconductor with improved stability","volume":"58","author":"Sharma","year":"2019","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.jmgm.2025.109197_bib30","doi-asserted-by":"crossref","first-page":"2628","DOI":"10.1002\/cssc.201600771","article-title":"Thermodynamic stability and defect chemistry of bismuth\u2010based lead\u2010free double perovskites","volume":"9","author":"Xiao","year":"2016","journal-title":"ChemSusChem"},{"key":"10.1016\/j.jmgm.2025.109197_bib31","article-title":"Design and defect study of Cs2AgBiBr6 double perovskite solar cell using suitable charge transport layers","volume":"38","author":"Alkhammash","year":"2022","journal-title":"Semicond. Sci. Technol."},{"key":"10.1016\/j.jmgm.2025.109197_bib32","doi-asserted-by":"crossref","first-page":"35088","DOI":"10.1021\/acsami.9b10602","article-title":"Lead-free antimony-based light-emitting diodes through the vapor\u2013anion-exchange method","volume":"11","author":"Singh","year":"2019","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"10.1016\/j.jmgm.2025.109197_bib33","doi-asserted-by":"crossref","DOI":"10.1002\/adfm.201704446","article-title":"All\u2010inorganic bismuth\u2010based perovskite quantum dots with bright blue photoluminescence and excellent stability","volume":"28","author":"Leng","year":"2018","journal-title":"Adv. Funct. Mater."},{"key":"10.1016\/j.jmgm.2025.109197_bib34","doi-asserted-by":"crossref","DOI":"10.1002\/adma.202170324","article-title":"Supersaturation\u2010controlled growth of monolithically integrated lead\u2010free halide perovskite single\u2010crystalline thin film for high\u2010sensitivity photodetectors","volume":"33","author":"Li","year":"2021","journal-title":"Adv. Mater."},{"key":"10.1016\/j.jmgm.2025.109197_bib35","doi-asserted-by":"crossref","first-page":"2135","DOI":"10.1021\/acs.chemmater.8b00427","article-title":"Size tunable cesium antimony chloride perovskite nanowires and nanorods","volume":"30","author":"Pradhan","year":"2018","journal-title":"Chem. Mater."},{"key":"10.1016\/j.jmgm.2025.109197_bib36","doi-asserted-by":"crossref","first-page":"4935","DOI":"10.1039\/C8CE00925B","article-title":"Lead free halide perovskite Cs 3 Bi 2 I 9 bulk crystals grown by a low temperature solution method","volume":"20","author":"Zhang","year":"2018","journal-title":"CrystEngComm"},{"key":"10.1016\/j.jmgm.2025.109197_bib37","doi-asserted-by":"crossref","first-page":"1760","DOI":"10.3390\/nano9121760","article-title":"Single-source vapor-deposited Cs2AgBiBr6 thin films for lead-free perovskite solar cells","volume":"9","author":"Fan","year":"2019","journal-title":"Nanomaterials"},{"key":"10.1016\/j.jmgm.2025.109197_bib38","doi-asserted-by":"crossref","first-page":"2138","DOI":"10.1021\/jacs.5b13294","article-title":"A bismuth-halide double perovskite with long carrier recombination lifetime for photovoltaic applications","volume":"138","author":"Slavney","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.jmgm.2025.109197_bib39","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1007\/s11120-009-9404-8","article-title":"Density functional theory","volume":"102","author":"Orio","year":"2009","journal-title":"Photosynth. Res."},{"key":"10.1016\/j.jmgm.2025.109197_bib40","doi-asserted-by":"crossref","first-page":"7403","DOI":"10.1103\/PhysRevB.25.7403","article-title":"Theory of ab initio pseudopotential calculations","volume":"25","author":"Yin","year":"1982","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.jmgm.2025.109197_bib41","doi-asserted-by":"crossref","first-page":"2044","DOI":"10.1002\/jcc.21057","article-title":"Ab\u2010initio simulations of materials using VASP: density\u2010functional theory and beyond","volume":"29","author":"Hafner","year":"2008","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jmgm.2025.109197_bib42","doi-asserted-by":"crossref","first-page":"728","DOI":"10.3390\/met13040728","article-title":"Meta-GGA SCAN functional in the prediction of ground state properties of magnetic materials: review of the current state","volume":"13","author":"Sokolovskiy","year":"2023","journal-title":"Metals"},{"key":"10.1016\/j.jmgm.2025.109197_bib43","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","article-title":"From ultrasoft pseudopotentials to the projector augmented-wave method","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.jmgm.2025.109197_bib44","doi-asserted-by":"crossref","first-page":"225","DOI":"10.3390\/cryst8050225","article-title":"The crystal orbital Hamilton population (COHP) method as a tool to visualize and analyze chemical bonding in intermetallic compounds","volume":"8","author":"Steinberg","year":"2018","journal-title":"Crystals"},{"key":"10.1016\/j.jmgm.2025.109197_bib45","doi-asserted-by":"crossref","first-page":"1931","DOI":"10.1002\/jcc.26353","article-title":"LOBSTER:Local orbital projections, atomic charges, and chemical\u2010bonding analysis from projector\u2010augmented\u2010wave\u2010based density\u2010functional theory","volume":"41","author":"Nelson","year":"2020","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jmgm.2025.109197_bib46","series-title":"Group Theory: Application to the Physics of Condensed Matter","author":"Dresselhaus","year":"2007"},{"key":"10.1016\/j.jmgm.2025.109197_bib47","doi-asserted-by":"crossref","first-page":"16975","DOI":"10.1002\/chem.202000788","article-title":"Recent advances and optoelectronic applications of lead\u2010free halide double perovskites","volume":"26","author":"Lu","year":"2020","journal-title":"Chem.--Eur. J."},{"key":"10.1016\/j.jmgm.2025.109197_bib48","doi-asserted-by":"crossref","first-page":"1066","DOI":"10.1021\/acs.cgd.1c00986","article-title":"Physical properties of candidate X-ray detector material Rb4Ag2BiBr9","volume":"22","author":"Zhang","year":"2021","journal-title":"Cryst. Growth Des."},{"key":"10.1016\/j.jmgm.2025.109197_bib49","series-title":"Electronic Structure: Basic Theory and Practical Methods","author":"Martin","year":"2020"},{"key":"10.1016\/j.jmgm.2025.109197_bib50","doi-asserted-by":"crossref","first-page":"1833","DOI":"10.1063\/1.1740588","article-title":"Electronic population analysis on LCAO\u2013MO molecular wave functions. I","volume":"23","author":"Mulliken","year":"1955","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.jmgm.2025.109197_bib51","doi-asserted-by":"crossref","first-page":"8617","DOI":"10.1021\/j100135a014","article-title":"Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations","volume":"97","author":"Dronskowski","year":"1993","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.jmgm.2025.109197_bib52","doi-asserted-by":"crossref","first-page":"5461","DOI":"10.1021\/jp202489s","article-title":"Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets","volume":"115","author":"Deringer","year":"2011","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.jmgm.2025.109197_bib53","series-title":"LOBSTER: a Tool to Extract Chemical Bonding from Plane\u2010Wave Based DFT","author":"Maintz","year":"2016"},{"key":"10.1016\/j.jmgm.2025.109197_bib54","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1021\/cr200107z","article-title":"Challenges for density functional theory","volume":"112","author":"Cohen","year":"2012","journal-title":"Chem. Rev."},{"key":"10.1016\/j.jmgm.2025.109197_bib55","series-title":"Horizons of Quantum Chemistry: Proceedings of the Third International Congress of Quantum Chemistry Held at Kyoto, Japan, October 29-November 3, 1979","first-page":"5","article-title":"Density functional theory of atoms and molecules","author":"Parr","year":"1989"},{"key":"10.1016\/j.jmgm.2025.109197_bib56","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1126\/science.218.4574.747","article-title":"Role of frontier orbitals in chemical reactions","volume":"218","author":"Fukui","year":"1982","journal-title":"Science"},{"key":"10.1016\/j.jmgm.2025.109197_bib57","doi-asserted-by":"crossref","first-page":"601","DOI":"10.1103\/RevModPhys.74.601","article-title":"Electronic excitations: density-functional versus many-body Green\u2019s-function approaches","volume":"74","author":"Onida","year":"2002","journal-title":"Rev. Mod. Phys."},{"key":"10.1016\/j.jmgm.2025.109197_bib58","series-title":"Electron energy-loss Spectroscopy in the Electron Microscope","author":"Egerton","year":"2011"},{"key":"10.1016\/j.jmgm.2025.109197_bib59","series-title":"Optical Properties of Solids","author":"Fox","year":"2010"},{"key":"10.1016\/j.jmgm.2025.109197_bib60","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevB.73.045112","article-title":"Linear optical properties in the projector-augmented wave methodology","volume":"73","author":"Gajdo\u0161","year":"2006","journal-title":"Phys. Rev. B Condens. Matter"}],"container-title":["Journal of Molecular Graphics and Modelling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326325002578?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326325002578?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,11]],"date-time":"2026-03-11T01:03:22Z","timestamp":1773191002000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1093326325002578"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1]]},"references-count":60,"alternative-id":["S1093326325002578"],"URL":"https:\/\/doi.org\/10.1016\/j.jmgm.2025.109197","relation":{},"ISSN":["1093-3263"],"issn-type":[{"value":"1093-3263","type":"print"}],"subject":[],"published":{"date-parts":[[2026,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Structural and electronic effects of M- and X-site substitution in M4Ag2BiX9 (M = Cs, Rb; X = Br, I) layered Zintl halides","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Graphics and Modelling","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmgm.2025.109197","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"109197"}}