AENET Family

2 datasets | 53.8K total configurations

Overview

Total Downloads

171

Total Configurations

53.8K

Unique Elements

4

Property Types

2

Methods Used

2

Software Packages

2

Elements Included

4 Elements
H Li O Si

Calculated Properties

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

Methods

2 Methods
DFT-PBE DFT-revPBE+D3

Software

2 Software
CP2K VASP

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
AENET_amorphous_LiSi_JCP2021
The amorphous LiSi data set comprises 45,169 atomic structures with compositions Li(x)Si (0.0≤x≤4.75) and the correspond...
 61 44,651 2 2 View DOI
AENET_liquid_water_dataset_JCP2021
The water data set comprises energies and forces of 9,189 condensed-phase structures. The data was obtained in an iterat...
 110 9,188 2 2 View DOI