%0 journal article
%@ 1433-7851
%A Robles-Navarro, A., Jerabek, P., Schwerdtfeger, P.

%D 2024
%J Angewandte Chemie - International Edition
%N 1
%P e202313679 
%R doi:10.1002/anie.202313679
%T Tipping the balance between the bcc and fcc phase within the alkali and coinage metal groups
%U https://doi.org/10.1002/anie.202313679
1 
%X Why the Group 1 elements crystallize in the body-centered cubic (bcc) structure, and the iso-electronic Group 11 elements in the face-centered cubic (fcc) structure, remains a mystery. Here we show that a delicate interplay between many-body effects, vibrational contributions and dispersion interactions obtained from relativistic density functional theory offers an answer to this long-standing controversy. It also sheds light on the Periodic Table of Crystal Structures. A smooth diffusionless transition through cuboidal lattices gives a detailed insight into the bcc→fcc phase transition for the Groups 1 and 11 elements.