LiY(AlCu2)2
Alexandria ALEXAlex-ID: agm004792306 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
YAl2Cu3 Li4Cu3 Li6Cu7
2022-07-16 22:05:00.850307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792306).
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 agm004792306
data_agm004792306
_cell_length_a 4.22612
_cell_length_b 4.22612
_cell_length_c 8.28908
_cell_angle_alpha 75.23111
_cell_angle_beta 75.23111
_cell_angle_gamma 60.00000
_cell_volume 122.52903
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.75990 0.75990 0.72031 1.00000
Al2 Al 0.24010 0.24010 0.27969 1.00000
Cu1 Cu 0.40144 0.40144 0.79567 1.00000
Cu2 Cu 0.87100 0.87100 0.38701 1.00000
Cu3 Cu 0.12900 0.12900 0.61299 1.00000
Cu4 Cu 0.59856 0.59856 0.20433 1.00000
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