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Figure 4
Median speedups (bars) with ± MADs (lines) for 33142 crystal structures from the MC3D, comparing different execution configurations of the Rust-accelerated XRD calculator against the original pymatgen implementation.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 59| Part 4| August 2026|
https://doi.org/10.1107/S1600576726005273
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