Data · dataset · 2023
Hydrogen absorption energy diagrams calculations for niobium and vanadium
Listed in e-cienciaDatos
This dataset contains the input files INCAR (solver input), POSCAR (atomic position input), POTCAR (atomic potentials input) and MODECAR (dimer input).
Description
This dataset contains the output files CONTCAR/CENTCAR (atomic position output), OUTCAR (energetic output), #run.out (convergence output), NEWMODECAR and dimcar (dimer output).
Links
Where it is published
- Dataverse dataset page edatos.consorciomadrono.es/dataset.xhtml?persistentId=doi%3A10.21950%2FQCAHIZ ↗
landing page · from edatos consorciomadrono es
- DOI doi.org/10.21950/qcahiz ↗
DOI / persistent id · from edatos consorciomadrono es
Catalogue records · 1
- Dataverse API edatos.consorciomadrono.es/api/datasets/:persistentId/?persistentId=doi%3A10.21950%2FQCAH… ↗
metadata API · from edatos consorciomadrono es
Topics
- Stated by source
- Ciencias de la información y computación · Ciencias matemáticas · Física · Ingeniería · Química
- From keywords
- Density functional theory
Provenance · 1 source records, 12 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| e-cienciaDatos | doi:10.21950/QCAHIZ | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].dataverse_subject:ciencias-de-la-informaci-n-y-computaci-n | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[field].dataverse_subject:ciencias-matem-ticas | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[field].dataverse_subject:f-sica | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[field].dataverse_subject:ingenier-a | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[field].dataverse_subject:qu-mica | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[method].local:method:dft | mapping · edatos consorciomadrono es | vocabulary-mapper@1.0.0 | keywords['DFT'] |
| created_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| description | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /description |
| publication_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| title | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /name |
| updated_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| version_label | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 |