Research data supporting "Stability and superconductivity of Lanthanum and Yttrium decahydrides"
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Hutcheon, M., Shipley, A., Pickard, C., Needs, R., & Johnson, M. (2020). Research data supporting "Stability and superconductivity of Lanthanum and Yttrium decahydrides" [Dataset]. https://doi.org/10.17863/CAM.46481
Structures of LaH10 and YH10 studied in the paper "stability and superconductivity of Lanthanum and Yttrium decahydrides" (full text available here https://arxiv.org/abs/2001.05305). These are the lowest-energy structures resulting from using the AIRSS package (https://www.mtg.msm.cam.ac.uk/Codes/AIRSS), provided as Crystallographic Information (.cif) files. These can be converted to desired formats using the c2x software, available at https://www.c2x.org.uk/. These structures make up the phase diagram for LaH10 and YhH10 between ~200 and 400GPa, and exhibit high-temperature, conventional superconductivity.
Can be converted to desired formats using the c2x software, available at https://www.c2x.org.uk/
materials, superconductivity, hydrides, structures
This record's DOI: https://doi.org/10.17863/CAM.46481
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Licence URL: http://creativecommons.org/licenses/by/4.0/