Li3Zn5Pd2
Alexandria ALEXAlex-ID: agm003344584 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_101_spg72
LiZn2Pd LiZn
2022-02-02 09:32:58.497958
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344584).
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 agm003344584
data_agm003344584
_cell_length_a 4.95606
_cell_length_b 8.64190
_cell_length_c 8.64190
_cell_angle_alpha 100.49924
_cell_angle_beta 73.33678
_cell_angle_gamma 73.33674
_cell_volume 325.29088
_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 0.25000 0.00000 0.00000 1.00000
Li2 Li 0.75000 0.00000 0.00000 1.00000
Li3 Li 0.41740 0.28496 0.88024 1.00000
Li4 Li 0.58260 0.71504 0.11976 1.00000
Li5 Li 0.91740 0.88024 0.28496 1.00000
Li6 Li 0.08260 0.11976 0.71504 1.00000
Zn1 Zn 0.25000 0.50000 0.50000 1.00000
Zn2 Zn 0.75000 0.50000 0.50000 1.00000
Zn3 Zn 0.49367 0.75633 0.75633 1.00000
Zn4 Zn 0.00633 0.24367 0.24367 1.00000
Zn5 Zn 0.50633 0.24367 0.24367 1.00000
Zn6 Zn 0.99367 0.75633 0.75633 1.00000
Zn7 Zn 0.13808 0.51724 0.20660 1.00000
Zn8 Zn 0.86192 0.48276 0.79340 1.00000
Zn9 Zn 0.63808 0.20660 0.51724 1.00000
Zn10 Zn 0.36192 0.79340 0.48276 1.00000
Pd1 Pd 0.20878 0.62600 0.95644 1.00000
Pd2 Pd 0.79122 0.37400 0.04356 1.00000
Pd3 Pd 0.70878 0.95644 0.62600 1.00000
Pd4 Pd 0.29122 0.04356 0.37400 1.00000
