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Keywords:

  • ab initio calculations;
  • clusters;
  • helical structures;
  • lithium;
  • phosphorus
Thumbnail image of graphical abstract

Theoretical evidence: The existence of inorganic double-helix structures at the atomic level is theoretically predicted. An unbiased quantum-chemical search for the global minimum structures of LixPx (x=5–9) species is performed. For the Li7P7–Li9P9 stoichiometries the global minimum structure has a peculiar double-helix form.