Research data supporting "High-throughput discovery of high-temperature conventional superconductors"
| datacite.contributor.supervisor | Pickard, Chris | |
| datacite.issupplementto.doi | 10.1103/PhysRevB.104.054501 | |
| datacite.issupplementto.url | https://www.repository.cam.ac.uk/handle/1810/326413 | |
| dc.contributor.author | Hutcheon, Michael | |
| dc.contributor.author | Shipley, Alice | |
| dc.contributor.author | Pickard, Chris | |
| dc.contributor.author | Needs, Richard | |
| dc.contributor.orcid | Pickard, Christopher [0000-0002-9684-5432] | |
| dc.date.accessioned | 2021-08-05T13:51:06Z | |
| dc.date.available | 2021-08-05T13:51:06Z | |
| dc.description | Crystal 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.format | Structures 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.identifier.doi | 10.17863/CAM.72574 | |
| dc.identifier.uri | https://www.repository.cam.ac.uk/handle/1810/326388 | |
| dc.rights | Attribution 4.0 International (CC BY 4.0) | |
| dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | crystal structures | |
| dc.subject | superconductivity | |
| dc.title | Research data supporting "High-throughput discovery of high-temperature conventional superconductors" | |
| dc.type | Dataset | |
| dcterms.format | .cell | |
| pubs.funder-project-id | EPSRC (1948652) | |
| pubs.funder-project-id | Engineering and Physical Sciences Research Council (EP/P022596/1) | |
| pubs.funder-project-id | Engineering and Physical Sciences Research Council (EP/P034616/1) | |
| pubs.funder-project-id | Engineering and Physical Sciences Research Council (EP/P020259/1) | |
| rioxxterms.licenseref.uri | https://creativecommons.org/licenses/by/4.0/ | |
| rioxxterms.type | Other |
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