Carbon_GAP Family

2 datasets | 23.0K total configurations

Overview

Total Downloads

74

Total Configurations

23.0K

Unique Elements

1

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

1 Elements
C

Calculated Properties

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

Methods

1 Methods
DFT-optB88-vdW

Software

1 Software
VASP

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
Carbon_GAP_JCP_2020
GAP-20 describes the properties of the bulk crystalline and amorphous phases, crystal surfaces, and defect structures wi...
34 16,906 1 3
Carbon_GAP_JCP_2020_train
Training data generated for GAP-20. GAP-20 describes the properties of the bulk crystalline and amorphous phases, crysta...
40 6,088 1 3