La3Al3Pd8
Alexandria ALEXAlex-ID: agm008570649 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_40_spg12
LaAl2Pd5 LaAlPd2 La2AlPd6
2025-01-02 03:43:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008570649).
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 agm008570649
data_agm008570649
_cell_length_a 8.37288
_cell_length_b 8.37288
_cell_length_c 9.07557
_cell_angle_alpha 58.87269
_cell_angle_beta 121.12731
_cell_angle_gamma 149.18412
_cell_volume 275.11615
_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 0.70615 0.29385 0.66533 1.00000
La2 La 0.29385 0.70615 0.33467 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.32358 0.67642 0.00074 1.00000
Al3 Al 0.67642 0.32358 0.99926 1.00000
Pd1 Pd 0.88486 0.11514 0.60643 1.00000
Pd2 Pd 0.11514 0.88486 0.39357 1.00000
Pd3 Pd 0.13109 0.86891 0.83485 1.00000
Pd4 Pd 0.86891 0.13109 0.16515 1.00000
Pd5 Pd 0.49240 0.50760 0.32203 1.00000
Pd6 Pd 0.50760 0.49240 0.67797 1.00000
Pd7 Pd 0.64810 0.35190 0.24778 1.00000
Pd8 Pd 0.35190 0.64810 0.75222 1.00000
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