Cu(NiPd3)2
Alexandria ALEXAlex-ID: agm005643923 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1041_spg69
CuPd3 Pd Ni
2023-07-08 21:17:56.844185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643923).
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 agm005643923
data_agm005643923
_cell_length_a 3.91723
_cell_length_b 5.87206
_cell_length_c 6.19263
_cell_angle_alpha 83.92499
_cell_angle_beta 71.56184
_cell_angle_gamma 70.51575
_cell_volume 127.39323
_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
Cu1 Cu 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.33289 0.49993 0.83430 1.00000
Ni2 Ni 0.66711 0.50007 0.16570 1.00000
Pd1 Pd 0.99048 0.18498 0.83406 1.00000
Pd2 Pd 0.32460 0.18482 0.16598 1.00000
Pd3 Pd 0.67540 0.81518 0.83402 1.00000
Pd4 Pd 0.34213 0.81579 0.49995 1.00000
Pd5 Pd 0.65787 0.18421 0.50005 1.00000
Pd6 Pd 0.00952 0.81502 0.16594 1.00000
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