Structure · dataset · 2020
ferroelectric search distortion and workflow data and VASP files
Listed in DataCite
The zipped JSON files (distortion.json.gz and workflow_data.json.gz) contain details for each candidate from a search of the Materials Project database for ferroelectrics.
Description
These JSON files provide details of the symmetry analysis performed for each candidate and data generated by DFT calculations and post-processing from the workflow (respectively). The zipped folders contain VASP input and output files for ferroelectric search of Materials Project.
Links
Where it is published
- Repository landing page figshare.com/articles/ferroelectric_search_VASP_files/6025634/4 ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.6025634 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.6025634 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.6025634 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Materials engineering · Physical sciences
- From keywords
- Condensed matter physics
- Inferred from text
- Density functional theory 65%
Related
- Inverse of has versionferroelectric search VASP files
Provenance · 1 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.6025634 | 10 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:materials-engineering | 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 (65%) |
| 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 |