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...

Full description

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