Data · dataset · 2026
<p dir="ltr"><b>Halide-Driven Structure–Property Tuning in Potassium-Based Perovskites: From Unit Cells to Supercells</b></p>
Listed in NCL Data
<p dir="ltr">Herein, density functional theory calculations are employed to investigate twelve potassium-based perovskites, KBX₃ (B = Ge, Sn, and Pb; X = F, Cl, Br, and I), using both unit-cell and supercell representations.</p>
Links
Where it is published
- DOI doi.org/10.6084/m9.figshare.34066164.v1 ↗
DOI / persistent id · from data ncl ac uk
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from data ncl ac uk
Topics
- From keywords
- Chemistry · Earth & Environmental Science
- Inferred from text
- Density functional theory 75% · Macromolecular and materials chemistry 73%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| NCL Data | oai:figshare.com:article/34066164 | 2 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · data ncl ac uk | connector:data_ncl_ac_uk@1.0.0 | |
| concepts[field].anzsrc:group:3403 | enrichment · data ncl ac uk | taxonomy-embedding@1.1.0 | title+keywords+description (73%) |
| concepts[field].local:field:chemistry | mapping · data ncl ac uk | connector:data_ncl_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · data ncl ac uk | connector:data_ncl_ac_uk@1.0.0 | |
| concepts[method].local:method:dft | enrichment · data ncl ac uk | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · data ncl ac uk | connector:data_ncl_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · data ncl ac uk | connector:data_ncl_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · data ncl ac uk | connector:data_ncl_ac_uk@1.0.0 | |
| title | source · data ncl ac uk | connector:data_ncl_ac_uk@1.0.0 | /metadata/dc/title |