La6AlPd8
Alexandria ALEXAlex-ID: agm072124607 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_796_spg71
LaAlPd2 La3Pd5 LaPd
2024-10-05 06:49:31.800205
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072124607).
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 agm072124607
data_agm072124607
_cell_length_a 8.42017
_cell_length_b 8.42017
_cell_length_c 8.42017
_cell_angle_alpha 129.29894
_cell_angle_beta 122.65689
_cell_angle_gamma 80.03924
_cell_volume 375.66587
_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 0.04666 0.30752 0.73914 1.00000
La2 La 0.76327 0.00000 0.76327 1.00000
La3 La 0.56838 0.30752 0.26086 1.00000
La4 La 0.95334 0.69248 0.26086 1.00000
La5 La 0.23673 0.00000 0.23673 1.00000
La6 La 0.43162 0.69248 0.73914 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.38248 0.09125 0.70878 1.00000
Pd2 Pd 0.61752 0.90875 0.29122 1.00000
Pd3 Pd 0.83459 0.02727 0.19268 1.00000
Pd4 Pd 0.16541 0.35809 0.19268 1.00000
Pd5 Pd 0.38248 0.67370 0.29122 1.00000
Pd6 Pd 0.16541 0.97273 0.80732 1.00000
Pd7 Pd 0.83459 0.64191 0.80732 1.00000
Pd8 Pd 0.61752 0.32630 0.70878 1.00000
Get direct link