Table 1.

JSON keys for metadata and their descriptions.

Key	Datatype	Description
material_id	string	IDs for entries in the 2Dmatpedia
relative_id	string	IDs for where a 2D material is obtained from
discovery_process	string	How a 2D materials is generated
structure	dictionary	Relaxed crystal structure represented in dictionary
formula	string	Chemical formula
nelements	string	Number of elements in this material
elements	list	List of elements in this material
spacegroup	string	Space group number defined by The International Union of Crystallography
point_group	string	Point group in Hermann-Mauguin notation
bandgap	float	Energy band gap of this material
is_gap_direct	Boolean	Is the material a direct gap
is_metal	Boolean	Is the material metallic
energy_per_atom	float	Energy per atom in eV without vdW correction
energy_vdw_per_atom	float	Energy per atom in eV with vdW correction
exfoliation_energy_per_atom	float	Exfoliation energy of the 2D material in eV/atom
decomposition_energy_per_atom	float	Decomposition energy of the 2D material in eV/atom
total_magnetization	float	Total magnetic moment in μB