Si_Al_Ti_Seko Family

2 datasets | 40.1K total configurations

Overview

Total Downloads

63

Total Configurations

40.1K

Unique Elements

3

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

3 Elements
Al Si Ti

Calculated Properties

3 Property Types
Energy (2 datasets) Atomic Forces (2 datasets) Cauchy Stress (2 datasets)

Methods

1 Methods
DFT-PBE

Software

1 Software
VASP

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
Si_Al_Ti_Seko_PRB_2019_test
Training sets from Si_Al_Ti_Seko_PRB_2019. This dataset is compiled of 10,000 selected structures from the ICSD, divided...
32 3,989 3 3
Si_Al_Ti_Seko_PRB_2019_train
Test sets from Si_Al_Ti_Seko_PRB_2019. This dataset is compiled of 10,000 selected structures from the ICSD, divided int...
31 36,152 3 3