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|53,841 structures of alpha-brass (less than 40% Zinc). Includes atomic forces and total energy. Calculated using VASP at the DFT level of theory.
Martín Leandro Paleico
|Number of Data Objects
|Number of Configurations
|Number of Atoms
|Configuration Sets by Name
Cu-only-alpha-brass-nanoparticles — Set from alpha-brass nanoparticles dataset containing only copper
CuZn-only-alpha-brass-nanoparticles — Set from alpha-brass nanoparticles dataset containing copper and zinc (i.e., no copper-only molecules)
|Configuration Sets by ID
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