Li4Ag2Pd3
Alexandria ALEXAlex-ID: agm005607802 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
Li3Ag8 LiAg LiPd
2023-06-30 20:20:06.818732
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607802).
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 agm005607802
data_agm005607802
_cell_length_a 4.32690
_cell_length_b 4.32663
_cell_length_c 8.08098
_cell_angle_alpha 89.99231
_cell_angle_beta 90.00515
_cell_angle_gamma 59.99212
_cell_volume 131.00470
_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 0.66664 0.66672 0.89454 1.00000
Li2 Li 0.00010 0.99978 0.34012 1.00000
Li3 Li 0.99990 0.00022 0.65988 1.00000
Li4 Li 0.33336 0.33328 0.10546 1.00000
Ag1 Ag 0.33320 0.33364 0.77755 1.00000
Ag2 Ag 0.66680 0.66636 0.22245 1.00000
Pd1 Pd 0.33338 0.33325 0.42612 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
Pd3 Pd 0.66662 0.66675 0.57388 1.00000
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