HO_LiMoNiTi Family

5 datasets | 7,275 total configurations

Overview

Total Downloads

168

Total Configurations

7,275

Unique Elements

6

Property Types

2

Methods Used

3

Software Packages

1

Elements Included

6 Elements

H Li Mo Ni O Ti

Calculated Properties

2 Property Types

Energy (5 datasets) Atomic Forces (5 datasets)

Methods

3 Methods

DFT-BLYP+D3 DFT-SCAN DFT-revPBE+D3

Software

1 Software

VASP

Member Datasets

5 Datasets

Format:

	Dataset Name	Downloads	Configurations	Elements	Properties	Links
	HO_LiMoNiTi_NPJCM_2020_bulk_water_train_test Training and testing configurations of bulk water from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby to...	32	700	2	2	View DOI
	HO_LiMoNiTi_NPJCM_2020_bulk_water_validation Validation configurations of bulk water from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby total energy...	45	2,112	2	2	View DOI
	HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_train Training configurations of Li8Mo2Ni7Ti7O32 from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby total ene...	32	824	5	2	View DOI
	HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_validation Validation configurations of Li8Mo2Ni7Ti7O32 from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby total e...	34	1,792	5	2	View DOI
	HO_LiMoNiTi_NPJCM_2020_water_clusters Configurations of water clusters from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby total energy is ext...	25	1,847	2	2	View DOI