{"@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/1363670318912305664.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1038/s41467-020-20103-5"}},{"identifier":{"@type":"URI","@value":"https://www.nature.com/articles/s41467-020-20103-5.pdf"}},{"identifier":{"@type":"URI","@value":"https://www.nature.com/articles/s41467-020-20103-5"}}],"dc:title":[{"@value":"Synthesis of molecular metallic barium superhydride: pseudocubic BaH12"}],"description":[{"type":"abstract","notation":[{"@value":"<jats:title>Abstract</jats:title><jats:p>Following the discovery of high-temperature superconductivity in the La–H system, we studied the formation of new chemical compounds in the barium-hydrogen system at pressures from 75 to 173 GPa. Using in situ generation of hydrogen from NH<jats:sub>3</jats:sub>BH<jats:sub>3</jats:sub>, we synthesized previously unknown superhydride BaH<jats:sub>12</jats:sub> with a pseudocubic (<jats:italic>fcc</jats:italic>) Ba sublattice in four independent experiments. Density functional theory calculations indicate close agreement between the theoretical and experimental equations of state. In addition, we identified previously known <jats:italic>P</jats:italic>6<jats:italic>/mmm</jats:italic>-BaH<jats:sub>2</jats:sub> and possibly BaH<jats:sub>10</jats:sub> and BaH<jats:sub>6</jats:sub> as impurities in the samples. Ab initio calculations show that newly discovered semimetallic BaH<jats:sub>12</jats:sub> contains H<jats:sub>2</jats:sub> and H<jats:sub>3</jats:sub><jats:sup>–</jats:sup> molecular units and detached H<jats:sub>12</jats:sub> chains which are formed as a result of a Peierls-type distortion of the cubic cage structure. Barium dodecahydride is a unique molecular hydride with metallic conductivity that demonstrates the superconducting transition around 20 K at 140 GPa.</jats:p>"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1383670318912305665","@type":"Researcher","foaf:name":[{"@value":"Wuhao Chen"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305666","@type":"Researcher","foaf:name":[{"@value":"Dmitrii V. Semenok"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305667","@type":"Researcher","foaf:name":[{"@value":"Alexander G. Kvashnin"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305792","@type":"Researcher","foaf:name":[{"@value":"Xiaoli Huang"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305664","@type":"Researcher","foaf:name":[{"@value":"Ivan A. Kruglov"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305793","@type":"Researcher","foaf:name":[{"@value":"Michele Galasso"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305668","@type":"Researcher","foaf:name":[{"@value":"Hao Song"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305671","@type":"Researcher","foaf:name":[{"@value":"Defang Duan"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305669","@type":"Researcher","foaf:name":[{"@value":"Alexander F. Goncharov"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305794","@type":"Researcher","foaf:name":[{"@value":"Vitali B. Prakapenka"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305672","@type":"Researcher","foaf:name":[{"@value":"Artem R. Oganov"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670318912305670","@type":"Researcher","foaf:name":[{"@value":"Tian Cui"}]}],"publication":{"publicationIdentifier":[{"@type":"EISSN","@value":"20411723"}],"prism:publicationName":[{"@value":"Nature Communications"}],"dc:publisher":[{"@value":"Springer Science and Business Media LLC"}],"prism:publicationDate":"2021-01-11","prism:volume":"12","prism:number":"1","prism:startingPage":"273"},"reviewed":"false","dc:rights":["https://creativecommons.org/licenses/by/4.0","https://creativecommons.org/licenses/by/4.0"],"url":[{"@id":"https://www.nature.com/articles/s41467-020-20103-5.pdf"},{"@id":"https://www.nature.com/articles/s41467-020-20103-5"}],"createdAt":"2021-01-11","modifiedAt":"2023-01-27","relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1360290617651495552","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Anomalous High‐Temperature Superconductivity in YH<sub>6</sub>"}]},{"@id":"https://cir.nii.ac.jp/crid/1360294643842829312","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Synthesis and electrical transport measurement of superconducting hydrides using diamond anvil cell with boron-doped diamond electrodes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360306906065822848","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Raisins in a Hydrogen Pie: Ultrastable Cesium and Rubidium Polyhydrides"}]},{"@id":"https://cir.nii.ac.jp/crid/1360576118671830144","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"High-Pressure Mg–Sc–H Phase Diagram and Its Superconductivity from First-Principles Calculations"}]},{"@id":"https://cir.nii.ac.jp/crid/1360857596435934720","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Superconductivity at 253 K in lanthanum–yttrium ternary hydrides"}]},{"@id":"https://cir.nii.ac.jp/crid/1360865814729305728","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"First-Principles Investigation of Stability and Superconductivity in Ternary Yttrium–Praseodymium Hydrides under High Pressure"}]}],"dataSourceIdentifier":[{"@type":"CROSSREF","@value":"10.1038/s41467-020-20103-5"},{"@type":"CROSSREF","@value":"10.1016/j.mattod.2021.03.025_references_DOI_BL9DGNhwWBptn04bgSHj5l3qeqi"},{"@type":"CROSSREF","@value":"10.1002/adma.202006832_references_DOI_BL9DGNhwWBptn04bgSHj5l3qeqi"},{"@type":"CROSSREF","@value":"10.35848/1347-4065/ac1a49_references_DOI_BL9DGNhwWBptn04bgSHj5l3qeqi"},{"@type":"CROSSREF","@value":"10.1002/aenm.202400077_references_DOI_BL9DGNhwWBptn04bgSHj5l3qeqi"},{"@type":"CROSSREF","@value":"10.1021/acs.jpcc.1c08743_references_DOI_BL9DGNhwWBptn04bgSHj5l3qeqi"},{"@type":"CROSSREF","@value":"10.1021/acs.jpcc.3c02968_references_DOI_BL9DGNhwWBptn04bgSHj5l3qeqi"}]}