Data · dataset · 2015
Supporting data; kesterite CZTS structure optimisation
Listed in DataCite
Supporting data for optimisation with "RVO" method.
Description
Density functional theory (DFT) calculation output files for energy-volume curves with PBEsol and hybrid DFT calculations with HSE06. FHI-aims and VASP quantum chemistry packages used.
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/Supporting_data_kesterite_CZTS_structure_opti… ↗
landing page · from DataCite
- Repository landing page figshare.com/articles/dataset/Supporting_data_kesterite_CZTS_structure_opti… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.1468387 ↗
DOI / persistent id · from DataCite
- DOI doi.org/10.6084/m9.figshare.1468387.v1 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 4
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.1468387.v1 ↗
metadata API · from DataCite
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.1468387 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.1468387.v1 ↗
catalogue entry · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.1468387 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Physical sciences · Physical sciences
- Inferred from text
- Density functional theory 75%
Provenance · 2 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.1468387 | 15 d ago | JSON v1 |
| DataCite | 10.6084/m9.figshare.1468387.v1 | 15 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| byte_size | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:physical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:physical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[method].local:method:dft | enrichment · DataCite | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |