HEA Family

2 datasets | 40.6K total configurations

Overview

Total Downloads

112

Total Configurations

40.6K

Unique Elements

25

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

25 Elements
Ag Au Co Cr Cu Fe Hf Ir Lu Mn Mo Nb Ni Pd Pt Rh Ru Sc Ta Ti V W Y Zn Zr

Calculated Properties

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

Methods

1 Methods
DFT-PBEsol

Software

1 Software
VASP

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
HEA25_high_entropy_transition-metal_alloys
Dataset from "Modeling high-entropy transition-metal alloys with alchemical compression". Includes 25,000 structures uti...
 45 25,625 25 3 View DOI
HEA25S_high_entropy_alloys
Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 100...
 67 15,004 25 3 View DOI