NdSnPd3
Alexandria ALEXAlex-ID: agm003712331 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4968_spg74
Nd3Sn4Pd7 Nd2(SnPd3)3 Nd8SnPd24
2022-04-16 13:11:06.645758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003712331).
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 agm003712331
data_agm003712331
_cell_length_a 6.71727
_cell_length_b 6.71727
_cell_length_c 6.71727
_cell_angle_alpha 106.64514
_cell_angle_beta 130.79558
_cell_angle_gamma 93.45098
_cell_volume 206.66353
_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 0.99713 0.74713 0.75000 1.00000
Nd2 Nd 0.00287 0.25287 0.25000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Sn2 Sn 0.50000 0.00000 0.50000 1.00000
Pd1 Pd 0.50000 0.30872 0.30872 1.00000
Pd2 Pd 1.00000 0.69128 0.19128 1.00000
Pd3 Pd 0.50000 0.69128 0.69128 1.00000
Pd4 Pd 0.00000 0.30872 0.80872 1.00000
Pd5 Pd 0.68765 0.93765 0.25000 1.00000
Pd6 Pd 0.31235 0.06235 0.75000 1.00000
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