Li2Dy3Pd7
Alexandria ALEXAlex-ID: agm024365025 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
LiDy2Pd5 Li2Pd Dy3Pd4
2025-05-16 20:38:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024365025).
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 agm024365025
data_agm024365025
_cell_length_a 5.46321
_cell_length_b 5.46321
_cell_length_c 8.89561
_cell_angle_alpha 72.02004
_cell_angle_beta 107.97996
_cell_angle_gamma 119.94805
_cell_volume 214.93525
_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 0.66479 0.33521 0.49506 1.00000
Li2 Li 0.33521 0.66479 0.50494 1.00000
Dy1 Dy 0.00000 0.00000 0.50000 1.00000
Dy2 Dy 0.86090 0.13910 0.08285 1.00000
Dy3 Dy 0.13910 0.86090 0.91715 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.41738 0.58262 0.25985 1.00000
Pd3 Pd 0.41773 0.07542 0.26056 1.00000
Pd4 Pd 0.92458 0.58227 0.26056 1.00000
Pd5 Pd 0.58262 0.41738 0.74015 1.00000
Pd6 Pd 0.07542 0.41773 0.73944 1.00000
Pd7 Pd 0.58227 0.92458 0.73944 1.00000
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