Co_dimer Family

2 datasets | 3,952 total configurations

Overview

Total Downloads

56

Total Configurations

3,952

Unique Elements

8

Property Types

1

Methods Used

1

Software Packages

1

Elements Included

8 Elements
C Cl Co H N O P S

Calculated Properties

1 Property Types
Energy (2 datasets)

Methods

1 Methods
DFT-PBE

Software

1 Software
Gaussian 16

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
Co_dimer_JPCA_2022
This dataset contains dimer molecules of Co(II) with potential energy calculations for structures with ferromagnetic and...
31 2,158 8 1
Co_dimer_JPCA_2022_train
Training data only from the Co_dimer_JPCA_2022 dataset. This dataset contains dimer molecules of Co(II) with potential e...
25 1,794 8 1