aim2dat is a new Python toolkit providing interfaces for database queries, high-throughput DFT workflows, and machine learning integration to handle large material datasets.
Spglib: a software library for crystal symmetry search
2 Pith papers cite this work. Polarity classification is still indexing.
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Symmetry of polyhedral diagrams in 3D graphic statics is preserved exactly when equivalent edges identified by point-group fingerprinting have identical lengths.
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aim2dat: A Python infrastructure for automated ab initio material modeling and data analysis
aim2dat is a new Python toolkit providing interfaces for database queries, high-throughput DFT workflows, and machine learning integration to handle large material datasets.
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Point Group Symmetry of Polyhedral Diagrams in Graphic Statics
Symmetry of polyhedral diagrams in 3D graphic statics is preserved exactly when equivalent edges identified by point-group fingerprinting have identical lengths.