La3Pd2Br
Alexandria ALEXAlex-ID: agm005802423 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
La7Pd3 La2Br5 LaPd
2023-08-07 06:33:08.496843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802423).
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 agm005802423
data_agm005802423
_cell_length_a 4.57840
_cell_length_b 7.78469
_cell_length_c 10.11759
_cell_angle_alpha 90.00002
_cell_angle_beta 89.99994
_cell_angle_gamma 107.10144
_cell_volume 344.66099
_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 0.62655 0.25309 0.04541 1.00000
La2 La 0.12337 0.24674 0.75000 1.00000
La3 La 0.62655 0.25309 0.45459 1.00000
La4 La 0.87663 0.75326 0.25000 1.00000
La5 La 0.37345 0.74691 0.95459 1.00000
La6 La 0.37345 0.74691 0.54541 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.00000 0.50000 1.00000
Pd3 Pd 0.48305 0.96610 0.25000 1.00000
Pd4 Pd 0.51695 0.03390 0.75000 1.00000
Br1 Br 0.21981 0.43961 0.25000 1.00000
Br2 Br 0.78019 0.56039 0.75000 1.00000
Get direct link