Table 2. Surface properties for a crystal.

Property	Key	Datatype	Unit	Description
Properties denoted by * are defined for each distinct surface.
Weighted surface energy, $\overline{\mathit{\gamma }}$	weighted_surface_energy	float	J m−2	Surface energy weighted by the Wulff shape’s facet areas.
	weighted_surface_energy_EV_PER_ANG2		eV Å−2
Anisotropy, αγ	surface_anisotropy	float		Measure of the anisotropy of the surface energies weighted by relative importance.
Shape factor, η	shape_factor	float		Measure of the anisotropy based on the geometry of the Wulff shape.
Surfaces	surfaces	list		List of sub-entries describing an individual surface.
Surface energy, γhkl*	surface_energy	float	J m−2	Surface energy corresponding to the most stable termination or reconstruction.
	surface_energy_EV_PER_ANG2		eV Å−2
Miller index (hkl)*	miller_index	list		Miller index of the slab.
Task ID*	tasks	int		Task ID of the OUC and slab calculation the sub-entry properties were derived from.
Reconstruction*	is_reconstructed	boolean		Indicates whether the sub-entry properties corresponds to a reconstructed slab
Wulff surface area fraction*	area_fraction	float		Fraction of the Wulff shape’s surface area occupied by surface’s facets.
Slab structure*	structure	string		Slab used to model the surface as a Crystallographic Information File (cif).