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Dataset in support of the journal article 'A workflow for identifying viable crystal structures with partially occupied sites applied to solid electrolyte: Cubic Li$_7$La$_3$Zr$_2$O$_{12}$'

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DataCite Commons2023-11-13 更新2025-04-17 收录
下载链接:
https://eprints.soton.ac.uk/id/eprint/480550
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资源简介:
c-LLZO Structures A data set containing all c-LLZO structures that are symmetrically unique and have a Li-Li spacing of over 1.7 angstrom, It is accompanied by a csv file which contains energy and symmetry assignments

c-LLZO结构数据集 本数据集包含所有对称唯一且锂-锂间距大于1.7埃的c-LLZO结构,同时附带一个包含能量与对称性赋值信息的CSV文件。
提供机构:
University of Southampton
创建时间:
2023-11-13
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