XAS3DLive: an interactive X-ray absorption spectroscopy simulation/fitting platform for atomic 3D structure characterization

Song, X.; Yao, H.; Zhao, H.

doi:10.1107/S1600577526008969

Figure 7
Left: screenshots of XAS3DLive, showing the imported Co₃O₄ system with the central Co atom substituted by Mn, alongside the experimental XAS of Mn-doped Co₃O₄ displayed in the XAS panel. Right: publication-quality XANES plot, showing the experimental spectrum together with the corresponding simulated spectra for quantitative comparison, with readable axes, energy range, and legend.

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 33| Part 6| November 2026|

https://doi.org/10.1107/S1600577526008969

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