Skip to main content
zenodoopen

Descriptors for Electron and Hole Charge Carriers in Metal Oxides: Calculations Dataset

<p>Calculation dataset required in order to carry out the full analysis in&nbsp;<a href="http://github.com/FaradayInstitution/charge_carriers_data">This repository</a>.&nbsp;Outputs from hybrid Density Functional Theory calculations using the Vienna Ab-initio Simulation Package (VASP) are provided. See the main repository for details on analysis steps.&nbsp;</p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0