Data · dataset · 2026
Multiple lithium sites in kaolinite
Listed in Teesside University Research Data Repository
This dataset includes all supporting data and model files for the figures and tables presented in this paper, provided as four separate files.
Description
Data of all supplementary tables.xlsx compiles the raw data for all Supplementary Tables (Tables S1–S5). Data of tables in the main text.xlsx compiles the raw data underlying the tables in the main text.
The source data for figures.xlsx provides the plotting source data for all figures in the paper, enabling reproduction of the curves, scatter plots, and associated statistical results. The optimized structural models used for the first-principles calculations are provided as compressed files, including Source models of Figure 6.zip and Source models of Figure 7.zip which contains the structural/computational model source files used for Figure 6 and 7, allowing reproduction of the modeling workflow and figure visualization.
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In addition, the Python script octahedron_volume.py is provided to reproduce the calculation of octahedral volumes from the Cartesian coordinates of coordinating oxygen atoms. Together, these files provide the necessary source data and computational materials to support the reproducibility of the tabulated results, plotted figures, structural models, and octahedral distortion analysis reported in this study.
Links
Where it is published
- DOI doi.org/10.17632/2tdbjn5pmb.6 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Earth & Environmental Science
- Inferred from text
- Density functional theory 65% · Text 75%
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/2tdbjn5pmb.6 | 18 h ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[method].local:method:dft | enrichment · researchdata tees ac uk | keyword-concept-rules@1.0.0 | title+description (65%) |
| concepts[modality].local:modality:text | enrichment · researchdata tees ac uk | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |