Graphene Family
3 datasets | 811 total configurations
Datasets of Graphene-Graphene and Graphene-hexagonal boron nitride (hBN) ab initio calculations for structures with different interlayer distances and disregistries, calculated using DFT with D2 van der Waals corrections, DFT with D3 van der Waals corrections, and QMC methods.
Overview
Datasets
3
Total Downloads
87
Total Configurations
811
Unique Elements
3
Property Types
1
Methods Used
3
Elements Included
3 Elements
Calculated Properties
1 Property Types
Methods
3 Methods
Software
2 Software
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 ...
|
31 | 368 | 3 | 1 | View | |
|
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 ...
|
29 | 368 | 3 | 1 | View | |
|
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_...
|
27 | 75 | 3 | 1 | View |