foundry-ml/dataset_perovskite_habs

Machine-Learning Assisted Screening Proton Conducting Co/Fe based Oxide for the Air Electrode of Protonic Solid Oxide Cell

Dataset containing 795 perovskite H absorption data points

Dataset Information

• Source: Foundry-ML
• DOI: 10.18126/zgzt-xr34
• Year: 2023
• Authors: Wang, Ning, Yuan, Baoyin, Zheng, Fangyuan, Mo, Shanyun, Zhang, Xiaohan, Du, Lei, Xing, Lixin, Meng, Ling, Zhao, Lei, Aoki, Yoshitaka, Tang, Chunmei, Ye, Siyu
• Data Type: tabular

Fields

Field	Role	Description	Units
Composition	input	Material composition
temperature_C	input	Temperature of measurement	degC
pH2O	input	H2O partial pressure
Reference	input	Original data reference
proton_concentration	target	Concentration of H in material	mole/(formula unit)

Splits

• train: train

Usage

With Foundry-ML (recommended for materials science workflows)

from foundry import Foundry

f = Foundry()
dataset = f.get_dataset("10.18126/zgzt-xr34")
X, y = dataset.get_as_dict()['train']

With HuggingFace Datasets

from datasets import load_dataset

dataset = load_dataset("Dataset_perovskite_Habs")

Citation

@misc{https://doi.org/10.18126/zgzt-xr34
doi = {10.18126/zgzt-xr34}
url = {https://doi.org/10.18126/zgzt-xr34}
author = {Wang, Ning and Yuan, Baoyin and Zheng, Fangyuan and Mo, Shanyun and Zhang, Xiaohan and Du, Lei and Xing, Lixin and Meng, Ling and Zhao, Lei and Aoki, Yoshitaka and Tang, Chunmei and Ye, Siyu}
title = {Machine-Learning Assisted Screening Proton Conducting Co/Fe based Oxide for the Air Electrode of Protonic Solid Oxide Cell}
keywords = {machine learning, foundry}
publisher = {Materials Data Facility}
year = {root=2023}}

License

other

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This dataset was exported from Foundry-ML, a platform for materials science datasets.