This data deposition contains three datasets, which have been used for exploration with PhaseBO (https://github.com/lrcfmd/PhaseBO).
The results of exploration of this data with PhaseBO are published in 
A.Vasylenko et. al., "Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials", 
Preprint at https://arxiv.org/abs/2302.00710 and can be used to reproduce the results and Figures 2-4.

1. Li-Sn-S-Cl. 
For all candidate compositions and reference compounds in this compositional space,
the dataset contains total energies computed with DFT and corresponding energies above the convex hull.

2. Y-Sr-Ti-O.
All candidate compositions and reference compounds in this compositional space are represented omitting oxygen, the content of which can
be deduced from charge balance. The dataset contains total energies computed using force-fields potentials and corresponding energies above the convex hull
for all considered compositions in this system.

3. Li-Mg-P-Cl-Br
For all candidate compositions and reference compounds in this compositional space,
the coordinates in 3 dimensions (trigonal prism) are provided. 
For each data point energies above the convex hull are provided.