mlearn Family

12 datasets | 1,566 total configurations

Overview

Total Downloads

382

Total Configurations

1,566

Unique Elements

6

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

6 Elements

Cu Ge Li Mo Ni Si

Calculated Properties

3 Property Types

Energy (12 datasets) Atomic Forces (12 datasets) Cauchy Stress (12 datasets)

Methods

1 Methods

DFT-PBE

Software

1 Software

VASP

Member Datasets

12 Datasets

Dataset Name	Downloads	Configurations	Elements	Properties	Links
mlearn_Cu_test A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	31	31	1	3	View DOI
mlearn_Cu_train A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	34	262	1	3	View DOI
mlearn_Ge_test A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	28	25	1	3	View DOI
mlearn_Ge_train A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	27	228	1	3	View DOI
mlearn_Li_test A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	39	29	1	3	View DOI
mlearn_Li_train A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	38	241	1	3	View DOI
mlearn_Mo_test A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	28	23	1	3	View DOI
mlearn_Mo_train A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	33	194	1	3	View DOI
mlearn_Ni_test A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	31	31	1	3	View DOI
mlearn_Ni_train A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	28	263	1	3	View DOI
mlearn_Si_test A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	30	25	1	3	View DOI
mlearn_Si_train A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to ...	35	214	1	3	View DOI