La4Cu2Br3
Alexandria ALEXAlex-ID: agm005692375 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
La2Br5 La2Cu2Br La
2023-06-26 22:49:33.180286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692375).
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
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# CIF generated by HEAS from Alexandria entry agm005692375
data_agm005692375
_cell_length_a 4.26123
_cell_length_b 4.26123
_cell_length_c 18.47212
_cell_angle_alpha 90.04941
_cell_angle_beta 89.95057
_cell_angle_gamma 120.00839
_cell_volume 290.45581
_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 0.33360 0.66640 0.88809 1.00000
La2 La 0.99926 0.00074 0.29639 1.00000
La3 La 0.00074 0.99926 0.70361 1.00000
La4 La 0.66640 0.33360 0.11191 1.00000
Cu1 Cu 0.66710 0.33290 0.79839 1.00000
Cu2 Cu 0.33290 0.66710 0.20161 1.00000
Br1 Br 0.66566 0.33433 0.39911 1.00000
Br2 Br 0.00000 0.00000 0.00000 1.00000
Br3 Br 0.33434 0.66567 0.60089 1.00000
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