LiCa(DyPd2)2
Alexandria ALEXAlex-ID: agm004805331 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
Dy3Pd4 Li2Pd LiDy2Pd5 Li(CaPd)2
2022-07-16 22:08:59.265058
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004805331).
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 agm004805331
data_agm004805331
_cell_length_a 4.84101
_cell_length_b 4.84101
_cell_length_c 8.40480
_cell_angle_alpha 73.26229
_cell_angle_beta 73.26228
_cell_angle_gamma 60.00000
_cell_volume 160.87304
_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 0.50000 0.50000 0.50000 1.00000
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.75572 0.75572 0.73283 1.00000
Dy2 Dy 0.24428 0.24428 0.26717 1.00000
Pd1 Pd 0.38042 0.38042 0.85874 1.00000
Pd2 Pd 0.87485 0.87485 0.37544 1.00000
Pd3 Pd 0.12515 0.12515 0.62456 1.00000
Pd4 Pd 0.61958 0.61958 0.14126 1.00000
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