Li4Zn5Pd2
Alexandria ALEXAlex-ID: agm005669408 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_450_spg12
Li3Zn3Pd2 LiZn2Pd LiZn
2023-06-22 01:09:30.881230
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669408).
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 agm005669408
data_agm005669408
_cell_length_a 5.23931
_cell_length_b 5.23931
_cell_length_c 6.86023
_cell_angle_alpha 88.04732
_cell_angle_beta 88.04743
_cell_angle_gamma 60.86393
_cell_volume 164.35873
_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 0.32181 0.32182 0.48520 1.00000
Li2 Li 0.67819 0.67818 0.51480 1.00000
Li3 Li 0.64836 0.64836 0.87896 1.00000
Li4 Li 0.35164 0.35164 0.12104 1.00000
Zn1 Zn 0.64951 0.14530 0.80886 1.00000
Zn2 Zn 0.35049 0.85470 0.19114 1.00000
Zn3 Zn 0.00000 0.00000 0.50000 1.00000
Zn4 Zn 0.14530 0.64951 0.80887 1.00000
Zn5 Zn 0.85470 0.35049 0.19113 1.00000
Pd1 Pd 0.14765 0.14765 0.83272 1.00000
Pd2 Pd 0.85235 0.85235 0.16728 1.00000
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