La(AlCu2)2
Alexandria ALEXAlex-ID: agm003465151 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_115_spg139
LaAl2Cu3 La2Al11Cu15 LaAlCu4
2022-02-15 23:25:00.177313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003465151).
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 agm003465151
data_agm003465151
_cell_length_a 5.27232
_cell_length_b 5.31203
_cell_length_c 5.31203
_cell_angle_alpha 75.74271
_cell_angle_beta 60.24695
_cell_angle_gamma 60.24695
_cell_volume 112.13339
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.75000 0.50000 0.50000 1.00000
Al2 Al 0.25000 0.50000 0.50000 1.00000
Cu1 Cu 0.68995 0.00000 0.62010 1.00000
Cu2 Cu 0.31005 0.00000 0.37990 1.00000
Cu3 Cu 0.31005 0.37990 0.00000 1.00000
Cu4 Cu 0.68995 0.62010 0.00000 1.00000
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