Li4Al3Cu2
Alexandria ALEXAlex-ID: agm005654297 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_139_spg2
Li2Al2Cu Li2AlCu
2023-06-27 09:24:19.168427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654297).
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 agm005654297
data_agm005654297
_cell_length_a 4.26125
_cell_length_b 5.20230
_cell_length_c 6.59884
_cell_angle_alpha 83.67010
_cell_angle_beta 71.16290
_cell_angle_gamma 65.82315
_cell_volume 126.26533
_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 0.65613 0.57763 0.11012 1.00000
Li2 Li 0.98902 0.35968 0.66227 1.00000
Li3 Li 0.01098 0.64032 0.33773 1.00000
Li4 Li 0.34387 0.42237 0.88988 1.00000
Al1 Al 0.31597 0.79978 0.56828 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Al3 Al 0.68403 0.20022 0.43172 1.00000
Cu1 Cu 0.34165 0.09390 0.22279 1.00000
Cu2 Cu 0.65835 0.90610 0.77721 1.00000
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