Precursor Genome
收藏资源简介:
The Precursor Genome is a dataset of 1,035 pairwise solid-state (ceramic) synthesis reactions generated autonomously by the A-Lab self-driving laboratory, spanning 46 distinct precursor materials. Each reaction is reported with full experimental metadata — measured thermal profiles, precursor and recovered masses, and instrument configuration — alongside the X-ray diffraction data used to identify its product phases. Product mixtures were identified from 1,351 raw XRD scans through automated Rietveld refinement, yielding 1,950 refinement cases independently validated by human experts on a three-tier quality scale. Raw pattern files, serialized refinement objects, and reviewer annotations are included, preserving full traceability from each precursor pair to its final phase assignment. This record contains the dataset's raw XRD scans, refinement objects (.pkl), and refinement plots. The Pydantic-validated JSON ledger, schema, and access-code notebooks are distributed separately via GitHub: https://github.com/lauren-walters/precursor-genome.git. Released under CC BY 4.0.



