ComBat Family

1 datasets | 174 total configurations

Overview

Total Downloads

30

Total Configurations

174

Unique Elements

9

Property Types

1

Methods Used

1

Software Packages

1

Elements Included

9 Elements
C F H Li N O P S Si

Calculated Properties

1 Property Types
Energy (1 datasets)

Methods

1 Methods
DFT-B3LYP

Software

1 Software
Gaussian 16

Member Datasets

1 Datasets
Dataset Name Downloads Configurations Elements Properties Links
ComBat
DFT-optimized geometries and properties for Li-S electrolytes. These make up the Computational Database for Li-S Batteri...
 30 174 9 1 View DOI