LaAlCu11
Alexandria ALEXAlex-ID: agm005698653 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_0_spg12
LaAlCu4 Cu
2023-06-29 14:20:36.143339
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698653).
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 agm005698653
data_agm005698653
_cell_length_a 4.88995
_cell_length_b 6.68390
_cell_length_c 6.46048
_cell_angle_alpha 82.26355
_cell_angle_beta 67.76223
_cell_angle_gamma 69.16339
_cell_volume 182.66592
_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 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.27273 0.22935 0.23033 1.00000
Cu2 Cu 0.72727 0.77065 0.76967 1.00000
Cu3 Cu 0.49694 0.77065 0.23033 1.00000
Cu4 Cu 0.50306 0.22935 0.76967 1.00000
Cu5 Cu 0.34991 0.64585 0.64123 1.00000
Cu6 Cu 0.65009 0.35415 0.35877 1.00000
Cu7 Cu 0.00886 0.35415 0.64123 1.00000
Cu8 Cu 0.99114 0.64585 0.35877 1.00000
Cu9 Cu 0.00000 0.50000 0.00000 1.00000
Cu10 Cu 0.50000 0.00000 0.50000 1.00000
Cu11 Cu 0.00000 0.00000 0.50000 1.00000
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