Wolverton Oxides Data

4,914 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.<br>Available as Monty Encoder encoded JSON and as CSV. Recommended access method is with the matminer Python package using the datasets module.<br>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 rather than or in addition to this page.<br>Dataset described in:<br>Emery, A. A. &amp; Wolverton, C. High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO₃ perovskites. <i>Sci. Data</i> 4:170153 doi: 10.1038/sdata.2017.153 (2017).<br>Data sourced from:<br>Emery, A. A., &amp; Wolverton, C. <i> Figshare</i> http://dx.doi.org/10.6084/m9.figshare.5334142 (2017)