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.