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cond-mat.mtrl-sci2026
AI-Driven Structure Refinement of X-ray Diffraction
Bin Cao, Qian Zhang, Zhenjie Feng +4
Artificial intelligence can rapidly propose candidate phases and structures from X-ray diffraction (XRD), but these hypotheses often fail in downstream refinement because peak inte…
cond-mat.mtrl-sci2025
opXRD: Open Experimental Powder X-ray Diffraction Database
Daniel Hollarek, Henrik Schopmans, Jona Ãstreicher +21
Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still pr…