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foundry-ml/dataset_perovskite_asr

Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties Dataset containing perovskite oxide area specific resistances for 289 materials Dataset Information Source: Foundry-ML DOI: 10.18126/aw1n-3z96 Year: 2023 Authors: Jacobs, Ryan, Liu, Jian, Abernathy, Harry, Morgan, Dane Data Type: tabular Fields Field Role Description Units Material composition input Material composition Material… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_perovskite_asr.

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Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties

Dataset containing perovskite oxide area specific resistances for 289 materials

Dataset Information

—Source: Foundry-ML
—DOI: 10.18126/aw1n-3z96
—Year: 2023
—Authors: Jacobs, Ryan, Liu, Jian, Abernathy, Harry, Morgan, Dane
—Data Type: tabular

Fields

Field	Role	Description	Units
Material composition	input	Material composition
Material composition site	input	Material composition with site groupings
Abbreviated name	input	Material short name
Electrolyte class	input	Electrolyte type used in measurement
Is well studied? (>4 materials)	input	Whether data is averaged over 4 or more independen
ML pred ASR barrier (eV)	input	ML-predicted activation barrier for ASR	eV
Log ASR (Ohm-cm2) at T=773 K	target	Log ASR at 773 K	Ohm-cm2
Log ASR (Ohm-cm2) at T=873 K	target	Log ASR at 873 K	Ohm-cm2
Log ASR (Ohm-cm2) at T=973 K	target	Log ASR at 973 K	Ohm-cm2
Log ASR (Ohm-cm2) at T=1073 K	target	Log ASR at 1073 K	Ohm-cm2

Splits

—train: train

Usage

With Foundry-ML (recommended for materials science workflows)

python

from foundry import Foundry

f = Foundry()
dataset = f.get_dataset("10.18126/aw1n-3z96")
X, y = dataset.get_as_dict()['train']

With HuggingFace Datasets

python

from datasets import load_dataset

dataset = load_dataset("Dataset_perovskite_ASR")

Citation

bibtex

@misc{https://doi.org/10.18126/aw1n-3z96
doi = {10.18126/aw1n-3z96}
url = {https://doi.org/10.18126/aw1n-3z96}
author = {Jacobs, Ryan and Liu, Jian and Abernathy, Harry and Morgan, Dane}
title = {Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties}
keywords = {machine learning, foundry}
publisher = {Materials Data Facility}
year = {root=2023}}

License

other

This dataset was exported from [Foundry-ML](https://github.com/MLMI2-CSSI/foundry), a platform for materials science datasets.