Research data supporting "High-throughput discovery of high-temperature conventional superconductors"
Repository URI
Repository DOI
Change log
Authors
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
Publisher
Rights and licensing
Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
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)