LiAl4Pd
Alexandria ALEXAlex-ID: agm003748720 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1874_spg12
Li(Al2Pd)2 LiAl19 LiAl2Pd
2022-04-18 15:17:09.262825
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003748720).
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 agm003748720
data_agm003748720
_cell_length_a 4.28747
_cell_length_b 7.46790
_cell_length_c 6.63056
_cell_angle_alpha 101.22864
_cell_angle_beta 108.83865
_cell_angle_gamma 90.21615
_cell_volume 196.57249
_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
Li1 Li 0.64731 0.72047 0.79477 1.00000
Li2 Li 0.35269 0.27953 0.20523 1.00000
Al1 Al 0.70772 0.08399 0.91345 1.00000
Al2 Al 0.79811 0.45146 0.09641 1.00000
Al3 Al 0.29228 0.91601 0.08655 1.00000
Al4 Al 0.20189 0.54854 0.90359 1.00000
Al5 Al 0.06391 0.86311 0.62807 1.00000
Al6 Al 0.42705 0.65099 0.35270 1.00000
Al7 Al 0.93609 0.13689 0.37193 1.00000
Al8 Al 0.57295 0.34901 0.64730 1.00000
Pd1 Pd 0.50000 0.00000 0.50000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
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