Li3(AlGa)4
Alexandria ALEXAlex-ID: agm005709306 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
LiAl19 Li2Ga3 LiGa
2023-06-29 20:28:10.765228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709306).
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 agm005709306
data_agm005709306
_cell_length_a 2.89013
_cell_length_b 4.04889
_cell_length_c 15.72857
_cell_angle_alpha 97.45205
_cell_angle_beta 92.44106
_cell_angle_gamma 90.64290
_cell_volume 182.30652
_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 0.59593 0.63638 0.27626 1.00000
Li2 Li 0.40403 0.36364 0.72374 1.00000
Li3 Li 0.99999 0.00002 0.00000 1.00000
Al1 Al 0.07995 0.08835 0.18022 1.00000
Al2 Al 0.25940 0.27392 0.54624 1.00000
Al3 Al 0.74058 0.72611 0.45376 1.00000
Al4 Al 0.92001 0.91168 0.81978 1.00000
Ga1 Ga 0.53045 0.54611 0.09391 1.00000
Ga2 Ga 0.46952 0.45392 0.90608 1.00000
Ga3 Ga 0.86981 0.82072 0.63904 1.00000
Ga4 Ga 0.13017 0.17931 0.36096 1.00000
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