doped_CsPbI3 Family

2 datasets | 200 total configurations

Overview

Total Downloads

69

Total Configurations

200

Unique Elements

5

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

5 Elements
Cd Cs I Pb Zn

Calculated Properties

3 Property Types
Energy (2 datasets) Formation Energy (2 datasets) Atomic Forces (2 datasets)

Methods

1 Methods
DFT-PBE

Software

1 Software
VASP

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
doped_CsPbI3_energetics_test
The test set from the doped CsPbI3 energetics dataset. This dataset was created to explore the effect of Cd and Pb subst...
 26 60 5 3 View DOI
doped_CsPbI3_energetics_train_validate
The training + validation set from the doped CsPbI3 energetics dataset. This dataset was created to explore the effect o...
 43 140 5 3 View DOI