Data · dataset · 2015
RVO supporting data
Listed in DataCite and University of Bath Research Data Archive
Supporting data for a novel optimisation approach, usind data from inexpensive exchange-correlation functionals to correct the volume estimates for more expensive methods.
Description
Output files and energy-volume data from density functional theory (DFT) calculations with VASP and FHI-aims quantum chemistry codes.
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/RVO_supporting_data/1468388 ↗
landing page · from DataCite
- Repository landing page figshare.com/articles/dataset/RVO_supporting_data/1468388/1 ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.1468388.v1 ↗
DOI / persistent id · from DataCite
- DOI doi.org/10.6084/m9.figshare.1468388 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 5
- OAI-PMH record researchdata.bath.ac.uk/cgi/oai2?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3… ↗
metadata API · from researchdata bath ac uk
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.1468388.v1 ↗
metadata API · from DataCite
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.1468388 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.1468388.v1 ↗
catalogue entry · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.1468388 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Physical sciences · Physical sciences
- Inferred from text
- Density functional theory 75%
Provenance · 3 source records, 14 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.1468388 | 15 d ago | JSON v1 |
| DataCite | 10.6084/m9.figshare.1468388.v1 | 15 d ago | JSON v1 |
| University of Bath Research Data Archive | oai:researchdata.bath.ac.uk:158 | 2 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].anzsrc:group:5104 | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Condensed Matter Physics'] |
| concepts[field].anzsrc:group:5104 | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Condensed Matter Physics'] |
| 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[field].local:field:earth-environmental | mapping · researchdata bath ac uk | connector:researchdata_bath_ac_uk@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 |