HME21 Family

3 datasets | 24.9K total configurations

Overview

Total Downloads

77

Total Configurations

24.9K

Unique Elements

37

Property Types

2

Methods Used

1

Software Packages

1

Elements Included

37 Elements
Ag Al Au Ba C Ca Cl Co Cr Cu F Fe H In Ir K Li Mg Mn Mo N Na Ni O P Pb Pd Pt Rh Ru S Sc Si Sn Ti V Zn

Calculated Properties

2 Property Types
Energy (3 datasets) Atomic Forces (3 datasets)

Methods

1 Methods
DFT-PBE

Software

1 Software
VASP 5.4.4

Member Datasets

3 Datasets
Dataset Name Downloads Configurations Elements Properties Links
HME21_test
The test set from HME21. The high-temperature multi-element 2021 (HME21) dataset comprises approximately 25,000 configu...
 28 2,495 37 2 View DOI
HME21_train
The training set from HME21. The high-temperature multi-element 2021 (HME21) dataset comprises approximately 25,000 con...
 24 19,954 37 2 View DOI
HME21_validation
The validation set from HME21. The high-temperature multi-element 2021 (HME21) dataset comprises approximately 25,000 c...
 25 2,498 37 2 View DOI