Research data supporting "High-throughput discovery of high-temperature conventional superconductors"
Repository URI
Repository DOI
Change log
Authors
Hutcheon, Michael
Shipley, Alice
Pickard, Christopher https://orcid.org/0000-0002-9684-5432
Needs, Richard
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/).
Version
Software / Usage instructions
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/).
Keywords
crystal structures, superconductivity
Publisher
Sponsorship
EPSRC (1948652)
Engineering and Physical Sciences Research Council (EP/P022596/1)
Engineering and Physical Sciences Research Council (EP/P034616/1)
Engineering and Physical Sciences Research Council (EP/P020259/1)
Engineering and Physical Sciences Research Council (EP/P022596/1)
Engineering and Physical Sciences Research Council (EP/P034616/1)
Engineering and Physical Sciences Research Council (EP/P020259/1)