Nd3Sn2Pd5
Alexandria ALEXAlex-ID: agm003344239 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
NdSnPd Nd8SnPd24 Nd3Pd5
2022-02-02 11:52:41.938307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344239).
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 agm003344239
data_agm003344239
_cell_length_a 5.96670
_cell_length_b 9.34868
_cell_length_c 9.34868
_cell_angle_alpha 86.65817
_cell_angle_beta 71.39031
_cell_angle_gamma 71.39027
_cell_volume 467.82014
_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 0.25000 0.00000 0.00000 1.00000
Nd2 Nd 0.75000 0.00000 0.00000 1.00000
Nd3 Nd 0.39802 0.41444 0.78952 1.00000
Nd4 Nd 0.60198 0.58556 0.21048 1.00000
Nd5 Nd 0.89802 0.78952 0.41444 1.00000
Nd6 Nd 0.10198 0.21048 0.58556 1.00000
Sn1 Sn 0.13908 0.69557 0.02627 1.00000
Sn2 Sn 0.86092 0.30443 0.97373 1.00000
Sn3 Sn 0.63908 0.02627 0.69557 1.00000
Sn4 Sn 0.36092 0.97373 0.30443 1.00000
Pd1 Pd 0.25000 0.50000 0.50000 1.00000
Pd2 Pd 0.75000 0.50000 0.50000 1.00000
Pd3 Pd 0.48825 0.76175 0.76175 1.00000
Pd4 Pd 0.01175 0.23825 0.23825 1.00000
Pd5 Pd 0.51175 0.23825 0.23825 1.00000
Pd6 Pd 0.98825 0.76175 0.76175 1.00000
Pd7 Pd 0.13942 0.49369 0.22748 1.00000
Pd8 Pd 0.86058 0.50631 0.77252 1.00000
Pd9 Pd 0.63942 0.22748 0.49369 1.00000
Pd10 Pd 0.36058 0.77252 0.50631 1.00000
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