Li4LaAl4
Alexandria ALEXAlex-ID: agm003593995 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_104_spg87
Li2La3Al7 Li2Al
2022-04-04 21:51:58.073676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003593995).
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 agm003593995
data_agm003593995
_cell_length_a 4.60923
_cell_length_b 8.86334
_cell_length_c 8.86334
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 362.09533
_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 0.50034 0.85260 0.24370 1.00000
Li2 Li 0.50034 0.14740 0.75630 1.00000
Li3 Li 0.00034 0.74370 0.64740 1.00000
Li4 Li 0.99966 0.35260 0.74370 1.00000
Li5 Li 0.99966 0.64740 0.25630 1.00000
Li6 Li 0.49966 0.24370 0.14740 1.00000
Li7 Li 0.49966 0.75630 0.85260 1.00000
Li8 Li 0.00034 0.25630 0.35260 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.49957 0.42131 0.87612 1.00000
Al2 Al 0.99957 0.62388 0.92131 1.00000
Al3 Al 0.49957 0.57869 0.12388 1.00000
Al4 Al 0.00043 0.07869 0.62388 1.00000
Al5 Al 0.50043 0.87612 0.57869 1.00000
Al6 Al 0.00043 0.92131 0.37612 1.00000
Al7 Al 0.99957 0.37612 0.07869 1.00000
Al8 Al 0.50043 0.12388 0.42131 1.00000
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