Nd3Cu3Pd2
Alexandria ALEXAlex-ID: agm003330862 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
NdCu5 NdCu2 NdPd
2022-01-22 18:47:29.866860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003330862).
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 agm003330862
data_agm003330862
_cell_length_a 4.23330
_cell_length_b 5.70686
_cell_length_c 15.47307
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.77086
_cell_volume 347.14887
_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
Nd1 Nd 0.89258 0.78516 0.40500 1.00000
Nd2 Nd 0.10742 0.21484 0.90500 1.00000
Nd3 Nd 0.89258 0.78516 0.09500 1.00000
Nd4 Nd 0.10742 0.21484 0.59500 1.00000
Nd5 Nd 0.62170 0.24339 0.25000 1.00000
Nd6 Nd 0.37830 0.75661 0.75000 1.00000
Cu1 Cu 0.59732 0.19464 0.45646 1.00000
Cu2 Cu 0.40268 0.80536 0.95646 1.00000
Cu3 Cu 0.59732 0.19464 0.04354 1.00000
Cu4 Cu 0.40268 0.80536 0.54354 1.00000
Cu5 Cu 0.33834 0.67667 0.25000 1.00000
Cu6 Cu 0.66166 0.32333 0.75000 1.00000
Pd1 Pd 0.80791 0.61581 0.88740 1.00000
Pd2 Pd 0.19209 0.38419 0.38740 1.00000
Pd3 Pd 0.80791 0.61581 0.61260 1.00000
Pd4 Pd 0.19209 0.38419 0.11260 1.00000
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