CA-9 Family

9 datasets | 20.0K total configurations

Overview

Total Downloads

30

Total Configurations

20.0K

Unique Elements

1

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

1 Elements
C

Calculated Properties

3 Property Types
Energy (1 datasets) Atomic Forces (1 datasets) Cauchy Stress (1 datasets)

Methods

1 Methods
DFT-PBE

Software

1 Software
VASP

Member Datasets

9 Datasets
Dataset Name Downloads Configurations Elements Properties Links
CA-9_BB_training
Binning-binning configurations from CA-9 dataset used for training NNP_BB potential. CA-9 consists of configurations of ...
 30 20,006 1 3 View DOI