foundry-ml/perovskite_opbandcenter_v1-1
Discovery and engineering of low work function perovskite materials Dataset containing DFT-calculated O p-band center energies for 2912 perovskite oxides Dataset Information Source: Foundry-ML DOI: 10.18126/f3p0-2c5f Year: 2022 Authors: Ma, Tianyu, Jacobs, Ryan, Booske, John, Morgan, Dane Data Type: tabular Fields Field Role Description Units Composition with sublattices input Material composition with brackets denoting differ… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/perovskite_opbandcenter_v1-1.
Discovery and engineering of low work function perovskite materials
Dataset containing DFT-calculated O p-band center energies for 2912 perovskite oxides
Dataset Information
- Source: Foundry-ML
- DOI: 10.18126/f3p0-2c5f
- Year: 2022
- Authors: Ma, Tianyu, Jacobs, Ryan, Booske, John, Morgan, Dane
- Data Type: tabular
Fields
Splits
- train: train
Usage
With Foundry-ML (recommended for materials science workflows)
from foundry import Foundry
f = Foundry()
dataset = f.get_dataset("10.18126/f3p0-2c5f")
X, y = dataset.get_as_dict()['train']With HuggingFace Datasets
from datasets import load_dataset
dataset = load_dataset("perovskite_opbandcenter_v1.1")Citation
@misc{https://doi.org/10.18126/f3p0-2c5f
doi = {10.18126/f3p0-2c5f}
url = {https://doi.org/10.18126/f3p0-2c5f}
author = {Ma, Tianyu and Jacobs, Ryan and Booske, John and Morgan, Dane}
title = {Discovery and engineering of low work function perovskite materials}
keywords = {machine learning, foundry}
publisher = {Materials Data Facility}
year = {root=2022}}License
CC-BY 4.0
This dataset was exported from [Foundry-ML](https://github.com/MLMI2-CSSI/foundry), a platform for materials science datasets.