Published June 15, 2023
| Version v1
Dataset
Open
Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
Description
This record contains ASE databases in sqlite format that contain the minimum energy structures of nanoparticles of Ag, Au, Cu, and Pd as determined in the paper "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size", Rahm and Erhart, Nano Letters 17, 5775 (2017); doi: 10.1021/acs.nanolett.7b02761
The access-database.py script included in this record demonstrates how to access the databases. It requires the ASE package to be installed.
Files
Files
(15.5 GB)
| Name | Size | Download all |
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md5:4c9a37c8029f8ab9d7df437419f761fc
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511 Bytes | Download |
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md5:7e2289d5e3635e16f8cb27820397deac
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1.4 GB | Download |
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md5:70ecc40474adc575017730dca8e24ca3
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1.4 GB | Download |
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md5:475b39f2117c58b3fbb394848a1c5461
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1.4 GB | Download |
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md5:e72d22d1687d2a6803fb6ba3b1833a86
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1.4 GB | Download |
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md5:b143cbde7ef071600cee0cdc8b47f0d3
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1.4 GB | Download |
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md5:7538d9d013ff90b683e55c17c479a256
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1.4 GB | Download |
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md5:8c829c282b57463df9ada30ea1c1dbbb
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1.4 GB | Download |
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md5:097948d63c621ae4cf4927b14b71be7c
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1.4 GB | Download |
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md5:772c63e894780a287aa062edf99fc58b
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1.4 GB | Download |
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md5:cb2ef02008d0a964366d1c8499d92f63
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1.4 GB | Download |
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md5:191007907eb409c7084ce1d2203b42a8
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1.4 GB | Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.nanolett.7b02761 (DOI)