atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

It allows for easy creation of both bulk and defect structures, powered by pyscal3, while automatically annotating them. This makes the structural database easy to query and convert to other file formats.

from atomrdf import KnowledgeGraph, System
kg = KnowledgeGraph()
struct = System.create.lattice.l12(element=['Ni', 'Al'], graph=kg)