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Wolverton Oxides Data
dataset
posted on 2018-10-24, 23:55 authored by Antoine EmeryAntoine Emery, Christopher Wolverton, Hacking MaterialsHacking Materials4,914 perovskite oxides containing composition data, lattice constants, and formation + vacancy formation energies. All perovskites are of the form ABO3. Adapted from a dataset presented by Emery and Wolverton.
Available as
Monty Encoder encoded JSON and as CSV. Recommended access method is with
the matminer Python package using the datasets module.
Note on citations: If you found this dataset useful and would like to
cite it in your work, please be sure to cite its original sources below
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Dataset described in:
Emery, A. A. & Wolverton, C. High-throughput DFT calculations of
formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites. Sci. Data 4:170153 doi: 10.1038/sdata.2017.153 (2017).
Data sourced from:
Emery, A. A., & Wolverton, C. Figshare http://dx.doi.org/10.6084/m9.figshare.5334142 (2017)