sAlex Family

2 datasets | 10.9M total configurations

Overview

Total Downloads

235

Total Configurations

10.9M

Unique Elements

89

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

89 Elements
Ac Ag Al Ar As Au B Ba Be Bi Br C Ca Cd Ce Cl Co Cr Cs Cu Dy Er Eu F Fe Ga Gd Ge H He Hf Hg Ho I In Ir K Kr La Li Lu Mg Mn Mo N Na Nb Nd Ne Ni Np O Os P Pa Pb Pd Pm Pr Pt Pu Rb Re Rh Ru S Sb Sc Se Si Sm Sn Sr Ta Tb Tc Te Th Ti Tl Tm U V W Xe Y Yb Zn Zr

Calculated Properties

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

Methods

1 Methods
DFT-PBE+U

Software

1 Software
VASP

Related Families

1 Related Families
📁 Alexandria

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
sAlex_train
The training split of sAlex. sAlex is a subsample of the Alexandria dataset that was used to fine tune the OMat24 (Open ...
 97 10,345,613 89 3 View DOI
sAlex_validation
The validation split of sAlex. sAlex is a subsample of the Alexandria dataset that was used to fine tune the OMat24 (Ope...
 138 547,885 86 3 View DOI