{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360861710252525952.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1103/physrevb.104.184105"}},{"identifier":{"@type":"URI","@value":"https://link.aps.org/accepted/10.1103/PhysRevB.104.184105"}},{"identifier":{"@type":"URI","@value":"https://link.aps.org/article/10.1103/PhysRevB.104.184105"}},{"identifier":{"@type":"URI","@value":"http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.104.184105/fulltext"}},{"identifier":{"@type":"DOI","@value":"10.48550/arxiv.2110.07490"}},{"identifier":{"@type":"DOI","@value":"10.3204/pubdb-2021-04385"}},{"identifier":{"@type":"DOI","@value":"10.17863/cam.77999"}},{"identifier":{"@type":"HANDLE","@value":"20.500.11820/068f79db-eab5-48a1-a534-d81a7243c40a"}}],"dc:title":[{"@value":"Structural and vibrational properties of methane up to 71 GPa"}],"description":[{"notation":[{"@value":"Single-crystal synchrotron X-ray diffraction, Raman spectroscopy, and first principles calculations have been used to identify the structure of the high-pressure (HP) phase of molecular methane above 20 GPa up to 71 GPa. The structure of HP phase is trigonal R3, which can be represented as a distortion of the cubic phase B, previously documented at 7-15 GPa and confirmed here. The positions of hydrogen atoms in HP phase have been 19 obtained from first principles calculations. The molecules occupy four different crystallographic sites in phases B and eleven sites in the HP phase, which result in splitting of molecular stretching modes detected in Raman spectroscopy and assigned here based on 22 a good agreement with the Raman spectra calculated from the first principles."}]},{"notation":[{"@value":"29 pages, 7 figures, 3 tables, supplemental material"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380861710252525957","@type":"Researcher","foaf:name":[{"@value":"Maxim Bykov"}],"jpcoar:affiliationName":[{"@value":"Earth and Planets Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, DC 20015, USA"},{"@value":"Howard University, 2400 6th Street NW, Washington, DC 20059, USA"}]},{"@id":"https://cir.nii.ac.jp/crid/1380861710252525955","@type":"Researcher","foaf:name":[{"@value":"Elena Bykova"}],"jpcoar:affiliationName":[{"@value":"Earth and Planets Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, DC 20015, USA"}]},{"@id":"https://cir.nii.ac.jp/crid/1380861710252525954","@type":"Researcher","foaf:name":[{"@value":"Chris J. Pickard"}],"jpcoar:affiliationName":[{"@value":"Department of Materials Science & Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom"},{"@value":"Advanced Institute for Materials Research, Tohoku University, Aoba, Sendai 980-8577, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380861710252525956","@type":"Researcher","foaf:name":[{"@value":"Miguel Martinez-Canales"}],"jpcoar:affiliationName":[{"@value":"School of Physics and Astronomy and CSEC, University of Edinburgh, Peter Guthrie Tait Road, Edinburgh EH9 3FD, United Kingdom"}]},{"@id":"https://cir.nii.ac.jp/crid/1380861710252525958","@type":"Researcher","foaf:name":[{"@value":"Konstantin Glazyrin"}],"jpcoar:affiliationName":[{"@value":"Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany"}]},{"@id":"https://cir.nii.ac.jp/crid/1380861710252525953","@type":"Researcher","foaf:name":[{"@value":"Jesse S. Smith"}],"jpcoar:affiliationName":[{"@value":"HPCAT, X-ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA"}]},{"@id":"https://cir.nii.ac.jp/crid/1380861710252525952","@type":"Researcher","foaf:name":[{"@value":"Alexander F. Goncharov"}],"jpcoar:affiliationName":[{"@value":"Earth and Planets Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, DC 20015, USA"}]}],"contributor":[{"@id":"https://cir.nii.ac.jp/crid/1892835442345121543","@type":"Researcher","foaf:name":[{"@value":"Apollo - University of Cambridge Repository"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"24699950"},{"@type":"EISSN","@value":"24699969"}],"prism:publicationName":[{"@value":"Physical Review B"}],"dc:publisher":[{"@value":"American Physical Society (APS)"}],"prism:publicationDate":"2021-11-08","prism:volume":"104","prism:number":"18","prism:startingPage":"184105"},"reviewed":"false","dcterms:accessRights":"http://purl.org/coar/access_right/c_abf2","dc:rights":["https://link.aps.org/licenses/aps-default-license","https://link.aps.org/licenses/aps-default-accepted-manuscript-license"],"url":[{"@id":"https://link.aps.org/accepted/10.1103/PhysRevB.104.184105"},{"@id":"https://link.aps.org/article/10.1103/PhysRevB.104.184105"},{"@id":"http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.104.184105/fulltext"}],"createdAt":"2021-11-08","modifiedAt":"2025-08-01","foaf:topic":[{"@id":"https://cir.nii.ac.jp/all?q=Chemical%20Physics%20(physics.chem-ph)","dc:title":"Chemical Physics (physics.chem-ph)"},{"@id":"https://cir.nii.ac.jp/all?q=Condensed%20Matter%20-%20Materials%20Science","dc:title":"Condensed Matter - Materials Science"},{"@id":"https://cir.nii.ac.jp/all?q=34%20Chemical%20Sciences","dc:title":"34 Chemical Sciences"},{"@id":"https://cir.nii.ac.jp/all?q=physics.chem-ph","dc:title":"physics.chem-ph"},{"@id":"https://cir.nii.ac.jp/all?q=Materials%20Science%20(cond-mat.mtrl-sci)","dc:title":"Materials Science (cond-mat.mtrl-sci)"},{"@id":"https://cir.nii.ac.jp/all?q=FOS:%20Physical%20sciences","dc:title":"FOS: Physical sciences"},{"@id":"https://cir.nii.ac.jp/all?q=530","dc:title":"530"},{"@id":"https://cir.nii.ac.jp/all?q=cond-mat.mtrl-sci","dc:title":"cond-mat.mtrl-sci"},{"@id":"https://cir.nii.ac.jp/all?q=Physics%20-%20Chemical%20Physics","dc:title":"Physics - Chemical Physics"},{"@id":"https://cir.nii.ac.jp/all?q=3406%20Physical%20Chemistry","dc:title":"3406 Physical Chemistry"},{"@id":"https://cir.nii.ac.jp/all?q=info:eu-repo/classification/ddc/530","dc:title":"info:eu-repo/classification/ddc/530"},{"@id":"https://cir.nii.ac.jp/all?q=51%20Physical%20Sciences","dc:title":"51 Physical Sciences"}],"relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/2051151842066367232","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Significance of the high-pressure properties and structural evolution of gas hydrates for inferring the interior of icy bodies"}]}],"dataSourceIdentifier":[{"@type":"CROSSREF","@value":"10.1103/physrevb.104.184105"},{"@type":"OPENAIRE","@value":"doi_dedup___::bd2b1a1edbb49117aecd9b6fcb8c7923"},{"@type":"CROSSREF","@value":"10.1186/s40645-023-00534-6_references_DOI_XqG3pELt3GQZaLIRgtAJmO9j4YK"}]}