LiY2Al3
Alexandria ALEXAlex-ID: agm003433489 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_769_spg69
LiY4Al3 YAl2 Li
2022-02-13 12:20:15.333846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003433489).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003433489
data_agm003433489
_cell_length_a 5.80458
_cell_length_b 5.80458
_cell_length_c 8.73142
_cell_angle_alpha 104.25230
_cell_angle_beta 104.25230
_cell_angle_gamma 105.03096
_cell_volume 259.83430
_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 0.66787 0.66787 0.33573 1.00000
Li2 Li 0.33213 0.33213 0.66427 1.00000
Y1 Y 0.25000 0.75000 0.50000 1.00000
Y2 Y 0.74646 0.74646 0.00000 1.00000
Y3 Y 0.75000 0.25000 0.50000 1.00000
Y4 Y 0.25354 0.25354 1.00000 1.00000
Al1 Al 0.33237 0.83532 0.16768 1.00000
Al2 Al 0.16468 0.66763 0.83232 1.00000
Al3 Al 0.66763 0.16468 0.83232 1.00000
Al4 Al 0.83532 0.33237 0.16768 1.00000
Al5 Al 0.16624 0.16624 0.33248 1.00000
Al6 Al 0.83376 0.83376 0.66752 1.00000
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