Rich stoichiometries of stable Ca-Bi system: Structure prediction and superconductivity

Using a variable-composition ab initio evolutionary algorithm implemented in the USPEX code, we have performed a systematic search for stable compounds in the Ca-Bi system at different pressures. In addition to the well-known tI12-Ca2Bi and oS12-CaBi2, a few more structures were found by our calcula...

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Bibliographic Details
Main Authors: Dong, Xu, Fan, Changzeng
Format: Online
Language:English
Published: Nature Publishing Group 2015
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4366814/