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Creation of crystal structure reproducing X-ray diffraction pattern without using database

Creation of crystal structure reproducing X-ray diffraction pattern without using database

Abstract When a sampleā€™s X-ray diffraction pattern (XRD) is measured, the corresponding crystal structure is usually determined by searching for similar XRD patterns in the database. However, if a similar XRD pattern is not found, it is tremendously laborious to identify the crystal structure even for experts. This case commonly ā€¦