Zr(CuPd3)2
Alexandria ALEXAlex-ID: agm003500218 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_678_spg71
ZrCu2Pd5 ZrPd8 Cu7Pd5
2022-02-24 10:26:10.720749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003500218).
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 agm003500218
data_agm003500218
_cell_length_a 4.53201
_cell_length_b 5.23480
_cell_length_c 6.88543
_cell_angle_alpha 82.23617
_cell_angle_beta 70.78576
_cell_angle_gamma 64.34995
_cell_volume 139.04565
_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
Zr1 Zr 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.31444 0.59039 0.78073 1.00000
Cu2 Cu 0.68556 0.40961 0.21927 1.00000
Pd1 Pd 0.67150 0.74915 0.90785 1.00000
Pd2 Pd 0.32850 0.25085 0.09215 1.00000
Pd3 Pd 0.99589 0.83561 0.17262 1.00000
Pd4 Pd 0.35030 0.87323 0.42616 1.00000
Pd5 Pd 0.00411 0.16439 0.82738 1.00000
Pd6 Pd 0.64970 0.12677 0.57384 1.00000
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