Li2Al4Zn3
Alexandria ALEXAlex-ID: agm005666326 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_123_spg5
LiAl19 Li2AlZn LiZn3
2023-06-27 08:13:32.232766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666326).
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 agm005666326
data_agm005666326
_cell_length_a 4.88111
_cell_length_b 4.89897
_cell_length_c 6.81399
_cell_angle_alpha 89.59335
_cell_angle_beta 88.45807
_cell_angle_gamma 60.91245
_cell_volume 142.33364
_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 0.66533 0.32820 0.33431 1.00000
Li2 Li 0.33467 0.67180 0.66569 1.00000
Al1 Al 0.33325 0.32944 0.99820 1.00000
Al2 Al 0.00960 0.32653 0.66652 1.00000
Al3 Al 0.99040 0.67347 0.33348 1.00000
Al4 Al 0.66675 0.67056 0.00180 1.00000
Zn1 Zn 0.67132 0.99746 0.66664 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Zn3 Zn 0.32868 0.00254 0.33336 1.00000
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