Data · dataset · 2016
DFToutputfilesSennJACS2016.zip
Listed in DataCite
Description
Output files and pseudopotentials for density functional theory (DFT) calculations associated with the publication 'Symmetry Switching of Negative Thermal Expansion by Chemical Control' by Mark Senn et al. The DFT calculations were performed with the Abinit code version 7.2.2 which is available at abinit.org/downloads/packages/7-2.2
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/DFToutputfilesSennJACS2016_zip/3081664 ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.3081664 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.3081664 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.3081664 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Chemical sciences · Physical sciences
- From keywords
- Crystallography · Inorganic chemistry
- Inferred from text
- Density functional theory 75%
Related
- Inverse of same asDFToutputfilesSennJACS2016.zip
Provenance · 1 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.3081664 | 11 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:chemical-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 |