Li2La(ZnPd)2
Alexandria ALEXAlex-ID: agm015716601 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Li2ZnPd LaZnPd
2025-04-18 12:16:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015716601).
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
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# CIF generated by HEAS from Alexandria entry agm015716601
data_agm015716601
_cell_length_a 8.04412
_cell_length_b 8.04412
_cell_length_c 8.04412
_cell_angle_alpha 31.87390
_cell_angle_beta 31.87390
_cell_angle_gamma 31.87390
_cell_volume 128.93057
_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 0.14198 0.14198 0.14198 1.00000
Li2 Li 0.85802 0.85802 0.85802 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.56618 0.56618 0.56618 1.00000
Zn2 Zn 0.43382 0.43382 0.43382 1.00000
Pd1 Pd 0.74555 0.74555 0.74555 1.00000
Pd2 Pd 0.25445 0.25445 0.25445 1.00000
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