OMat24 Family

22 datasets | 101M total configurations

Overview

Total Downloads

1,373

Total Configurations

101M

Unique Elements

Property Types

Methods Used

Software Packages

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 (22 datasets) Atomic Forces (22 datasets) Cauchy Stress (22 datasets)

Methods

1 Methods

DFT-PBE+U

Software

1 Software

VASP

Member Datasets

22 Datasets

Dataset Name	Downloads	Configurations	Elements	Properties	Links
OMat24_train_aimd_from_PBE_1000_npt The aimd-from-PBE-1000-npt training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of densi...	106	21,269,486	89	3	View DOI
OMat24_train_aimd_from_PBE_1000_nvt The aimd-from-PBE-1000-nvt training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of densi...	106	20,256,650	86	3	View DOI
OMat24_train_aimd_from_PBE_3000_npt The aimd-from-PBE-3000-npt training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of densi...	141	6,076,290	89	3	View DOI
OMat24_train_aimd_from_PBE_3000_nvt The aimd-from-PBE-3000-nvt training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of densi...	190	7,839,846	86	3	View DOI
OMat24_train_rattled_1000 The rattled-1000 training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density functio...	105	11,388,475	89	3	View DOI
OMat24_train_rattled_1000_subsampled The rattled-1000-subsampled training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of dens...	30	3,879,731	89	3	View DOI
OMat24_train_rattled_300 The rattled-300 training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density function...	39	6,319,089	88	3	View DOI
OMat24_train_rattled_300_subsampled The rattled-300-subsampled training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of densi...	38	3,463,993	88	3	View DOI
OMat24_train_rattled_500 The rattled-500 training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density function...	37	6,922,153	88	3	View DOI
OMat24_train_rattled_500_subsampled The rattled-500-subsampled training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of densi...	38	3,975,399	89	3	View DOI
OMat24_train_rattled_relax The rattled-relax training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density functi...	173	9,433,298	87	3	View DOI
OMat24_validation_aimd-from-PBE-1000-npt The val_aimd-from-PBE-1000-npt validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of...	53	202,758	85	3	View DOI
OMat24_validation_aimd-from-PBE-1000-nvt The val_aimd-from-PBE-1000-nvt validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of...	52	195,575	85	3	View DOI
OMat24_validation_aimd-from-PBE-3000-npt The val_aimd-from-PBE-3000-npt validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of...	29	59,516	85	3	View DOI
OMat24_validation_aimd-from-PBE-3000-nvt The val_aimd-from-PBE-3000-nvt validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of...	26	76,478	84	3	View DOI
OMat24_validation_rattled_1000 The rattled-1000 validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density funct...	38	117,004	86	3	View DOI
OMat24_validation_rattled_1000_subsampled The rattled-1000-subsampled validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of de...	29	38,271	87	3	View DOI
OMat24_validation_rattled_300 The rattled-300 validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density functi...	33	62,451	84	3	View DOI
OMat24_validation_rattled_300_subsampled The rattled-300-subsampled validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of den...	25	34,244	85	3	View DOI
OMat24_validation_rattled_500 The rattled-500 validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density functi...	35	68,830	85	3	View DOI
OMat24_validation_rattled_500_subsampled The rattled-500-subsampled validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of den...	24	39,464	85	3	View DOI
OMat24_validation_rattled_relax The rattled-relax validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density func...	26	91,043	84	3	View DOI