Si-H-GAP Family

3 datasets | 656 total configurations

Overview

656

2 Elements

H Si

3 Property Types

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

1 Methods

DFT-PBE

1 Software

Quantum ESPRESSO

3 Datasets

Dataset Name	Downloads	Configurations	Elements	Properties	Links
Si-H-GAP_reference A reference set of configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. These con...	28	114	2	3	View DOI
Si-H-GAP_training A set of training configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. Includes v...	35	392	2	3	View DOI
Si-H-GAP_validation A set of validation configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. These co...	24	150	2	1	View DOI