Dy2LuF9
Alexandria ALEXAlex-ID: agm101642008 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_487_spg147
LuF3 DyF3
2025-05-19 15:32:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101642008).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm101642008
data_agm101642008
_cell_length_a 4.22819
_cell_length_b 7.04177
_cell_length_c 6.90500
_cell_angle_alpha 57.72456
_cell_angle_beta 90.23532
_cell_angle_gamma 92.71368
_cell_volume 173.57386
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.02515 0.66211 0.74737 1.00000
Dy2 Dy 0.00319 0.32519 0.39537 1.00000
Lu1 Lu 0.11067 0.95842 0.08431 1.00000
F1 F 0.53298 0.74057 0.65398 1.00000
F2 F 0.00438 0.63517 0.42603 1.00000
F3 F 0.76253 0.41486 0.07601 1.00000
F4 F 0.14239 0.31274 0.84890 1.00000
F5 F 0.50745 0.30403 0.49344 1.00000
F6 F 0.60853 0.96476 0.09577 1.00000
F7 F 0.21645 0.65267 0.07476 1.00000
F8 F 0.09303 0.03303 0.35524 1.00000
F9 F 0.99324 0.99645 0.74881 1.00000
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