Alex_MP-20 Family

3 datasets | 675K total configurations

Overview

Total Downloads

313

Total Configurations

675K

Unique Elements

76

Property Types

2

Methods Used

1

Software Packages

1

Elements Included

76 Elements
Ag Al 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 Hf Hg Ho I In Ir K La Li Lu Mg Mn Mo N Na Nb Nd Ni O Os P Pb Pd Pr Pt Rb Re Rh Ru S Sb Sc Se Si Sm Sn Sr Ta Tb Te Ti Tl Tm V W Y Yb Zn Zr

Calculated Properties

2 Property Types
Energy Above Hull (3 datasets) Electronic Band Gap (3 datasets)

Methods

1 Methods
DFT-PBE

Software

1 Software
VASP

Member Datasets

3 Datasets
Dataset Name Downloads Configurations Elements Properties Links
Alex_MP-20_test
The test split of the dataset Alex_MP-20. This dataset contains structures from the Alexandria (Schmidt et al. 2022) and...
 114 67,521 76 2 View DOI
Alex_MP-20_train
The train split of the dataset Alex_MP-20. This dataset contains structures from the Alexandria (Schmidt et al. 2022) an...
 71 540,162 76 2 View DOI
Alex_MP-20_validation
The validation split of the dataset Alex_MP-20. This dataset contains structures from the Alexandria (Schmidt et al. 202...
 128 67,521 76 2 View DOI