LiAl2Au3
Alexandria ALEXAlex-ID: agm005704115 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
AlAu LiAlAu2
2023-08-22 10:08:02.601311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704115).
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 agm005704115
data_agm005704115
_cell_length_a 4.52656
_cell_length_b 7.18224
_cell_length_c 6.22526
_cell_angle_alpha 90.00033
_cell_angle_beta 90.00106
_cell_angle_gamma 71.63179
_cell_volume 192.07721
_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 0.33225 0.33549 0.00000 1.00000
Li2 Li 0.66775 0.66451 1.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
Al3 Al 0.33016 0.33968 0.50000 1.00000
Al4 Al 0.66984 0.66032 0.50000 1.00000
Au1 Au 0.83488 0.33026 0.75056 1.00000
Au2 Au 0.49997 0.00000 0.25139 1.00000
Au3 Au 0.16512 0.66974 0.24944 1.00000
Au4 Au 0.83486 0.33026 0.24944 1.00000
Au5 Au 0.16514 0.66974 0.75056 1.00000
Au6 Au 0.50003 1.00000 0.74861 1.00000
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