Research data supporting "High-throughput discovery of high-temperature conventional superconductors"

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dc.contributor.authorHutcheon, Michael
dc.contributor.authorShipley, Alice
dc.contributor.authorPickard, Chris
dc.contributor.authorNeeds, Richard
dc.date.accessioned2021-08-05T13:51:06Z
dc.date.available2021-08-05T13:51:06Z
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/326388
dc.descriptionCrystal structures of the materials listed in Table. 1 of "High-throughput discovery of high-temperature conventional superconductors", generated using ab initio random structure searching (AIRSS). These are the structures as found to exhibit high-Tc superconductivity after an initial geometry optimization at the listed pressure. They are provided in the CASTEP .cell format and can be easily converted to a number of different formats using the C2x software (https://www.c2x.org.uk/).
dc.formatStructures are provided in the .cell format as used by the CASTEP software and can be easily converted to a number of different formats using the C2x software (https://www.c2x.org.uk/).
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectcrystal structures
dc.subjectsuperconductivity
dc.titleResearch data supporting "High-throughput discovery of high-temperature conventional superconductors"
dc.typeDataset
dc.identifier.doi10.17863/CAM.72574
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by/4.0/
datacite.contributor.supervisorPickard, Chris
dcterms.format.cell
dc.contributor.orcidPickard, Christopher [0000-0002-9684-5432]
rioxxterms.typeOther
pubs.funder-project-idEPSRC (1948652)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/P022596/1)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/P034616/1)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/P020259/1)
datacite.issupplementto.doi10.1103/PhysRevB.104.054501
datacite.issupplementto.urlhttps://www.repository.cam.ac.uk/handle/1810/326413


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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's licence is described as Attribution 4.0 International (CC BY 4.0)