Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys
datasetposted on 03.01.2019 by Zhuo Ye, Fanqiang Meng, Feng Zhang, Yang Sun, Lin Yang, Shihuai Zhou, Ralph Napolitano, Mikhail Mendelev, Ryan Ott, Matt Kramer, Cai-Zhuang Wang, Kai-Ming Ho
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
Using an effective genetic algorithm, we uncover the structure of a metastable Al41Sm5 phase that supplements its family sharing similar short-range orders. The phase evolves upon heating an amorphous Al-9.7at.%Sm ribbon, produced by melt-spinning. The dynamical phase selection is discussed with respect to the structural connections between the short-range packing motifs in the amorphous precursor and those observed in the selected phases. This dataset includes information such as the crystal structure of Al41Sm5, the short-range packing motifs, experimental and calculated XRD, formation energy of stable and meta-stable phases in the Al-Sm system.