Graphene Family

3 datasets | 811 total configurations

Overview

Total Downloads

80

Total Configurations

811

Unique Elements

3

Property Types

1

Methods Used

3

Software Packages

2

Elements Included

3 Elements
B C N

Calculated Properties

1 Property Types
Energy (3 datasets)

Methods

3 Methods
DFT-PBE+D2 DFT-PBE+D3 IP-QMC

Software

2 Software
QMCPACK Quantum ESPRESSO

Member Datasets

3 Datasets
Dataset Name Downloads Configurations Elements Properties Links
Graphene-hBN_and_Graphene-Graphene_DFT_D2
The DFT with D2 vdW corrections split of the Graphene-hBN_and_Graphene-Graphene dataset. This dataset family (see other ...
26 368 3 1
Graphene-hBN_and_Graphene-Graphene_DFT_D3
The DFT with D3 vdW corrections split of the Graphene-hBN_and_Graphene-Graphene dataset. This dataset family (see other ...
28 368 3 1
Graphene-hBN_and_Graphene-Graphene_QMC
The QMC-calculated split of the Graphene-hBN_and_Graphene-Graphene dataset. This dataset family (see other Graphene-hBN_...
26 75 3 1