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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| Main Authors: | Yoyo Hinuma, Hiroyuki Ozaki |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2024-12-01
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| 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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