Nd3(AgPd2)2
Alexandria ALEXAlex-ID: agm005647702 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_436_spg15
Nd2AgPd5 Nd3Pd5 NdAgPd
2023-06-27 21:39:48.192209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647702).
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 agm005647702
data_agm005647702
_cell_length_a 7.39657
_cell_length_b 7.62884
_cell_length_c 7.62884
_cell_angle_alpha 85.14086
_cell_angle_beta 79.12167
_cell_angle_gamma 79.12167
_cell_volume 414.60435
_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 0.87830 0.02529 0.26072 1.00000
Nd2 Nd 0.62170 0.73928 0.97471 1.00000
Nd3 Nd 0.12170 0.97471 0.73928 1.00000
Nd4 Nd 0.37830 0.26072 0.02529 1.00000
Nd5 Nd 0.25000 0.59328 0.40672 1.00000
Nd6 Nd 0.75000 0.40672 0.59328 1.00000
Ag1 Ag 0.44295 0.18550 0.51012 1.00000
Ag2 Ag 0.05705 0.48988 0.81450 1.00000
Ag3 Ag 0.55705 0.81450 0.48988 1.00000
Ag4 Ag 0.94295 0.51012 0.18550 1.00000
Pd1 Pd 0.32196 0.94872 0.25200 1.00000
Pd2 Pd 0.17804 0.74800 0.05128 1.00000
Pd3 Pd 0.67804 0.05128 0.74800 1.00000
Pd4 Pd 0.82196 0.25200 0.94872 1.00000
Pd5 Pd 0.10368 0.24233 0.40783 1.00000
Pd6 Pd 0.39632 0.59217 0.75767 1.00000
Pd7 Pd 0.89632 0.75767 0.59217 1.00000
Pd8 Pd 0.60368 0.40783 0.24233 1.00000
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