La3Cu5Au
Alexandria ALEXAlex-ID: agm072646897 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1267_spg8
LaCu5 LaCu2 LaAu
2024-09-24 05:45:20.518658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072646897).
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 agm072646897
data_agm072646897
_cell_length_a 5.68372
_cell_length_b 5.70799
_cell_length_c 7.19637
_cell_angle_alpha 112.79190
_cell_angle_beta 112.63032
_cell_angle_gamma 91.28295
_cell_volume 194.59305
_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 0.44865 0.22467 0.01189 1.00000
La2 La 0.98506 0.94464 0.43924 1.00000
La3 La 0.55815 0.51470 0.58304 1.00000
Cu1 Cu 0.96708 0.45828 0.01003 1.00000
Cu2 Cu 0.15217 0.59071 0.78383 1.00000
Cu3 Cu 0.98215 0.41329 0.36180 1.00000
Cu4 Cu 0.37734 0.81662 0.23747 1.00000
Cu5 Cu 0.62723 0.05956 0.65918 1.00000
Au1 Au 0.95922 0.97823 0.01018 1.00000
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