ANI-Al Family

2 datasets | 5,548 total configurations

Active learning train and test datasets of liquid and crystal phase aluminum.

Overview

Datasets

2

Total Downloads

70

Total Configurations

5,548

Unique Elements

1

Property Types

2

Methods Used

1

Elements Included

1 Elements
Al

Calculated Properties

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

Methods

1 Methods
DFT-PBE

Software

1 Software
Quantum ESPRESSO

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
ANI-Al_NC2021-test
Approximately 2800 configurations from a test dataset–one of a pair of train/test datasets of aluminum in crystal and me...
 29 2,769 1 2 View DOI
ANI-Al_NC2021-train
Approximately 2800 configurations from a train dataset–one of a pair of train/test datasets of aluminum in crystal and m...
 41 2,779 1 2 View DOI