Node GeneratorsΒΆ

  • element - A function that generates the elements of a material.

  • chemenv - A function that generates the chemical environments of a material.

  • crystal_system - A function that generates the crystal systems of a material.

  • magnetic_state - A function that generates the magnetic states of a material.

  • oxidation_state - A function that generates the oxidation states of a material.

  • space_group - A function that generates the space groups of a material.

  • wyckoff - A function that generates the wyckoffs of a material.

  • lattice - A function that generates the lattices of a material.

  • material_site - A function that generates the sites of a material.

matgraphdb.generators.nodes.element([base_file])

Creates Element nodes if no file exists, otherwise loads them from a file.

matgraphdb.generators.nodes.chemenv([base_file])

Creates ChemEnv nodes if no file exists, otherwise loads them from a file.

matgraphdb.generators.nodes.crystal_system()

Creates Crystal System nodes if no file exists, otherwise loads them from a file.

matgraphdb.generators.nodes.magnetic_state()

Creates Magnetic State nodes if no file exists, otherwise loads them from a file.

matgraphdb.generators.nodes.oxidation_state()

Creates Oxidation State nodes if no file exists, otherwise loads them from a file.

matgraphdb.generators.nodes.space_group()

Creates Space Group nodes if no file exists, otherwise loads them from a file.

matgraphdb.generators.nodes.wyckoff()

Creates Wyckoff Position nodes if no file exists, otherwise loads them from a file.

matgraphdb.generators.nodes.material_site(...)