LiAl2
Alexandria ALEXAlex-ID: agm005251972 · Space group: Fd-3m (#227)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3306_spg227
LiAl LiAl19
2023-04-21 15:28:20.914590
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005251972).
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 agm005251972
data_agm005251972
_cell_length_a 6.78252
_cell_length_b 6.78252
_cell_length_c 6.78252
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 220.62699
_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 0.12500 0.12500 0.12500 1.00000
Li2 Li 0.12500 0.62500 0.12500 1.00000
Li3 Li 0.12500 0.12500 0.62500 1.00000
Li4 Li 0.62500 0.12500 0.12500 1.00000
Al1 Al 0.85035 0.85035 0.85035 1.00000
Al2 Al 0.85035 0.44896 0.85035 1.00000
Al3 Al 0.85035 0.85035 0.44896 1.00000
Al4 Al 0.39965 0.80104 0.39965 1.00000
Al5 Al 0.39965 0.39965 0.39965 1.00000
Al6 Al 0.44896 0.85035 0.85035 1.00000
Al7 Al 0.39965 0.39965 0.80104 1.00000
Al8 Al 0.80104 0.39965 0.39965 1.00000
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