Finding a Bravais lattice with higher symmetry from lattice parameters of a supercell

We present an advanced algorithm that systematically identifies Bravais lattices from diffraction data, such as powder X-ray, as these data are crucial for new material development. The algorithm efficiently generates an ‘augmented lattice’ with more lattice points than the original lattice. An ‘acc...

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Bibliographic Details
Main Authors: Yoyo Hinuma, Hiroyuki Ozaki
Format: Article
Language:English
Published: Taylor & Francis Group 2024-12-01
Series:Science and Technology of Advanced Materials: Methods
Subjects:
Online Access:https://www.tandfonline.com/doi/10.1080/27660400.2024.2383167
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