{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,18]],"date-time":"2026-09-18T00:52:00Z","timestamp":1789692720546,"version":"4.0.1"},"reference-count":51,"publisher":"IOP Publishing","issue":"33","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys.: Condens. Matter"],"published-print":{"date-parts":[[2008,8,20]]},"DOI":"10.1088\/0953-8984\/20\/33\/335231","type":"journal-article","created":{"date-parts":[[2008,8,1]],"date-time":"2008-08-01T03:13:47Z","timestamp":1217560427000},"page":"335231","source":"Crossref","is-referenced-by-count":12,"title":["A solid-state hybrid density functional theory study of Prussian blue analogues and related chlorides at pressure"],"prefix":"10.1088","volume":"20","author":[{"given":"Derek S","family":"Middlemiss","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lorreta M","family":"Lawton","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chick C","family":"Wilson","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2008,7,31]]},"reference":[{"key":"1","doi-asserted-by":"publisher","DOI":"10.1038\/378701a0"},{"key":"2","doi-asserted-by":"publisher","DOI":"10.1021\/ja061514m"},{"key":"3","doi-asserted-by":"publisher","DOI":"10.1126\/science.272.5262.704"},{"key":"4","doi-asserted-by":"publisher","DOI":"10.1063\/1.1737044"},{"key":"5","author":"Verdaguer M","year":"2004","journal-title":"Magnetism: Molecules to Materials V"},{"key":"6","doi-asserted-by":"publisher","DOI":"10.1021\/ja990946c"},{"key":"7","doi-asserted-by":"publisher","DOI":"10.1021\/ic00101a003"},{"key":"8","doi-asserted-by":"publisher","DOI":"10.1021\/jp068885+"},{"key":"9","doi-asserted-by":"publisher","DOI":"10.1021\/ja061514m"},{"key":"10","doi-asserted-by":"publisher","DOI":"10.1063\/1.2221537"},{"key":"11","first-page":"96","volume":"1","author":"Bloch D","year":"1966","journal-title":"Ann. Phys. Fr.","ISSN":"https:\/\/id.crossref.org\/issn\/0003-4169","issn-type":"print"},{"key":"12","doi-asserted-by":"publisher","DOI":"10.1063\/1.1708490"},{"key":"13","doi-asserted-by":"publisher","DOI":"10.1016\/0022-3697(66)90262-9"},{"key":"14","doi-asserted-by":"publisher","DOI":"10.1016\/0378-4363(75)90033-9"},{"key":"15","doi-asserted-by":"publisher","DOI":"10.1016\/0304-8853(80)90676-9"},{"key":"16","author":"Giriat G","year":"2008","journal-title":"Phys. Rev."},{"key":"17","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(97)00033-X"},{"key":"18","doi-asserted-by":"publisher","DOI":"10.1080\/00268970500178869"},{"key":"19","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200400821"},{"key":"20","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)01081-1"},{"key":"21","doi-asserted-by":"publisher","DOI":"10.1002\/qua.20333"},{"key":"22","doi-asserted-by":"publisher","DOI":"10.1080\/02603590008050864"},{"key":"23","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-4596(03)00238-X"},{"key":"24","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.65.155102"},{"key":"25","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.70.092402"},{"key":"26","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.69.115119"},{"key":"27","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1007\/b97944","volume":"113","author":"Cor\u00e0 F","year":"2004","journal-title":"Struct. Bond.","ISSN":"https:\/\/id.crossref.org\/issn\/0081-5993","issn-type":"print"},{"key":"28","doi-asserted-by":"publisher","DOI":"10.1039\/b515732c"},{"key":"29","author":"Saunders V R Dovesi R Roetti C Orlando R Zicovich-Wilson C M Harrison N M Doll K Civalleri B Bush I D\u2019Arco Ph Llunell M","year":"2003"},{"key":"30","author":"Dovesi R","year":"1988","journal-title":"Hartree-Fock Ab Initio Treatment of Crystalline Systems"},{"key":"31","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-61478-1","author":"Pisani C","year":"1996","journal-title":"Quantum-Mechanical Ab Initio Calculations of the Properties of Crystalline Materials"},{"key":"32","author":"Martin R M","year":"2005","journal-title":"Electronic Structure: Basic Theory and Practical Methods"},{"key":"33","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"34","doi-asserted-by":"publisher","DOI":"10.1139\/p80-159"},{"key":"35","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"36","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"37","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141213"},{"key":"38","author":"Born M","year":"1998","journal-title":"Dynamical Theory of Crystal Lattices"},{"key":"39","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20019"},{"key":"40","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20120"},{"key":"41","doi-asserted-by":"publisher","DOI":"10.1063\/1.1415745"},{"key":"42","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.70.165111"},{"key":"43","doi-asserted-by":"publisher","DOI":"10.1107\/S0567739476001551"},{"key":"44","author":"Cox P A","year":"1992","journal-title":"Transition Metal Oxides, An Introduction to Their Electronic Structure and Properties"},{"key":"45","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-87758-2","author":"J\u00f8rgensen C K","year":"1969","journal-title":"Oxidation Number and Oxidation States"},{"key":"46","author":"Shriver D F","year":"1999","journal-title":"Inorganic Chemistry"},{"key":"47","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(01)00616-9"},{"key":"48","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1051\/anphys\/194812030137","volume":"3","author":"N\u00e9el L","year":"1948","journal-title":"Ann. Phys. Fr.","ISSN":"https:\/\/id.crossref.org\/issn\/0003-4169","issn-type":"print"},{"key":"49","doi-asserted-by":"publisher","DOI":"10.1021\/ja00049a078"},{"key":"50","doi-asserted-by":"crossref","first-page":"832","DOI":"10.1515\/znb-1982-0709","volume":"87","author":"Greibler W D","year":"1982","journal-title":"Z. Naturf.","ISSN":"https:\/\/id.crossref.org\/issn\/0932-0776","issn-type":"print"},{"key":"51","author":"Gadet V","year":"1992"}],"container-title":["Journal of Physics: Condensed Matter"],"original-title":[],"link":[{"URL":"http:\/\/stacks.iop.org\/0953-8984\/20\/i=33\/a=335231\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,4,11]],"date-time":"2020-04-11T11:16:02Z","timestamp":1586603762000},"score":1,"resource":{"primary":{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/0953-8984\/20\/33\/335231"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,7,31]]},"references-count":51,"journal-issue":{"issue":"33","published-print":{"date-parts":[[2008,8,20]]}},"alternative-id":["S0953-8984(08)80718-7"],"URL":"https:\/\/doi.org\/10.1088\/0953-8984\/20\/33\/335231","relation":{},"ISSN":["0953-8984","1361-648X"],"issn-type":[{"value":"0953-8984","type":"print"},{"value":"1361-648X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,7,31]]}}}