GST_GAP Family
3 datasets | 8,293 total configurations
Training sets for an ML model to generate a Gaussian approximation potential for Ge-Sb-Te compositions, including one used for the related publication using PBEsol (main), one relabeled with PBE (refitted), and one adapted to a new task (electromigration under an external electric field: extended).
Overview
Datasets
3
Total Downloads
91
Total Configurations
8,293
Unique Elements
3
Property Types
3
Methods Used
2
Elements Included
3 Elements
Calculated Properties
3 Property Types
Methods
2 Methods
Software
1 Software
Member Datasets
3 Datasets
| Dataset Name | Downloads | Configurations | Elements | Properties | Links | |
|---|---|---|---|---|---|---|
|
GST_GAP_22_extended
The extended training dataset for GST_GAP_22, calculated using the PBEsol functional. New configurations, simulated unde...
|
25 | 2,913 | 3 | 3 | View DOI | |
|
GST_GAP_22_main
The main training dataset for GST_GAP_22, calculated using the PBEsol functional. GST-GAP-22 contains configurations of ...
|
28 | 2,690 | 3 | 3 | View DOI | |
|
GST_GAP_22_refitted
The training dataset for GST_GAP_22, recalculated using the PBE functional. GST-GAP-22 contains configurations of phase-...
|
38 | 2,690 | 3 | 3 | View DOI |