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Data · dataset · 2019

Dataset for "Native Defects and their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12"

Listed in University of Bath Research Data Archive

Description

This dataset contains the computational data and analysis for the paper "Native Defects and their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12". It includes input and output files for the density functional theory (DFT) calculations, performed using VASP. Data extraction relies on the vasppy Python module (github.com/bjmorgan/vasppy, doi.org/10.5281/zenodo.801663), available under the MIT licence.

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Where it is published

Catalogue records · 1

Topics

From keywords
Earth & Environmental Science · Energy
Inferred from text
Density functional theory 75%
Provenance · 1 source records, 7 field assertions
SourceKeyLast seenRaw
University of Bath Research Data Archiveoai:researchdata.bath.ac.uk:6912 d agoJSON v1
FieldAssertionExtractorEvidence
concepts[field].local:field:earth-environmentalmapping · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0
concepts[field].local:field:energymapping · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0
concepts[method].local:method:dftenrichment · researchdata bath ac ukkeyword-concept-rules@1.0.0title+description (75%)
descriptionsource · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0/metadata/dc/description
license_textsource · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0
publication_datesource · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0
titlesource · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0/metadata/dc/title