Na2He: a stable compound of helium and sodium at high pressure.

DOI: 10.14469/hpc/2154 Metadata

Created: 2017-02-10 08:48

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)


A CIF created from the information given in the caption to Figure 2, reproduced here Figure 2 | Crystal structure of Na2He at 300 GPa. a,b, Ball-and-stick representation (a, pink and grey atoms represent Na and He, respectively) and polyhedral representation (b), where half of the Na8 cubes are occupied by He atoms (shown as polyhedra) and half by 2e (shown as red spheres). c, Electron localization function (ELF, which measures the spatial localization of electrons) plotted in the [110] plane at 300 GPa. This structure has space group Fm-3m with lattice parameter a = 3.95 Å at 300 GPa and Na atoms occupying the Wyckoff position 8c (0.25,0.25,0.25) and He atoms occupying the 4a (0,0,0) position.


Na2He 300GPa.cif 5KB chemical/x-cif CIF file

Member of collection / collaboration

10.14469/hpc/177 Computation data for Henry Rzepa's blog

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References 10.1038/NCHEM.2716 A stable compound of helium and sodium at high pressure

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