amorphous_carbon Family

3 datasets | 37.0K total configurations

Overview

Total Downloads

98

Total Configurations

37.0K

Unique Elements

1

Property Types

2

Methods Used

1

Software Packages

1

Elements Included

1 Elements
C

Calculated Properties

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

Methods

1 Methods
DFT-LDA

Software

1 Software
VASP

Member Datasets

3 Datasets
Dataset Name Downloads Configurations Elements Properties Links
aC_JCP_2023
The amorphous carbon dataset was generated using ab initio calculations with VASP software. We utilized the LDA exchange...
 33 20,194 1 2 View DOI
aC_JCP_2023_test
Test split from the 216-atom amorphous portion of the aC_JCP_2023 dataset. The amorphous carbon dataset was generated us...
 40 3,366 1 2 View DOI
aC_JCP_2023_train
Train split from the 216-atom amorphous portion of the aC_JCP_2023 dataset. The amorphous carbon dataset was generated u...
 25 13,462 1 2 View DOI