La2Al5Cu12
Alexandria ALEXAlex-ID: agm005678122 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_0_spg166
La2Al11Cu15 LaAl4Cu9 LaAlCu4
2023-06-23 01:36:43.719851
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678122).
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 agm005678122
data_agm005678122
_cell_length_a 6.68249
_cell_length_b 6.68249
_cell_length_c 6.68249
_cell_angle_alpha 82.82629
_cell_angle_beta 82.82629
_cell_angle_gamma 82.82628
_cell_volume 291.94195
_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 0.65094 0.65094 0.65094 1.00000
La2 La 0.34906 0.34906 0.34906 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.50000 0.00000 1.00000
Al3 Al 0.50000 0.00000 0.00000 1.00000
Al4 Al 0.90202 0.90202 0.90202 1.00000
Al5 Al 0.09798 0.09798 0.09798 1.00000
Cu1 Cu 0.28888 0.71112 0.00000 1.00000
Cu2 Cu 0.71112 0.00000 0.28888 1.00000
Cu3 Cu 1.00000 0.28888 0.71112 1.00000
Cu4 Cu 0.71112 0.28888 1.00000 1.00000
Cu5 Cu 0.28888 1.00000 0.71112 1.00000
Cu6 Cu 0.00000 0.71112 0.28888 1.00000
Cu7 Cu 0.34347 0.34347 0.85428 1.00000
Cu8 Cu 0.34347 0.85428 0.34347 1.00000
Cu9 Cu 0.85428 0.34347 0.34347 1.00000
Cu10 Cu 0.65653 0.14572 0.65653 1.00000
Cu11 Cu 0.65653 0.65653 0.14572 1.00000
Cu12 Cu 0.14572 0.65653 0.65653 1.00000
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