Nd3SmPd2
Alexandria ALEXAlex-ID: agm017236157 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1134_spg12
SmPd Nd7Pd3 Nd
2025-04-14 05:25:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017236157).
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 agm017236157
data_agm017236157
_cell_length_a 8.67563
_cell_length_b 8.67563
_cell_length_c 11.91056
_cell_angle_alpha 57.44688
_cell_angle_beta 122.55312
_cell_angle_gamma 152.08267
_cell_volume 349.29920
_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 0.15138 0.84862 0.24348 1.00000
Nd2 Nd 0.84862 0.15138 0.75652 1.00000
Nd3 Nd 0.42221 0.57779 0.06376 1.00000
Nd4 Nd 0.57779 0.42221 0.93624 1.00000
Nd5 Nd 0.57692 0.42308 0.43781 1.00000
Nd6 Nd 0.42308 0.57692 0.56219 1.00000
Sm1 Sm 0.84694 0.15306 0.25522 1.00000
Sm2 Sm 0.15306 0.84694 0.74478 1.00000
Pd1 Pd 0.22940 0.77060 0.06104 1.00000
Pd2 Pd 0.77060 0.22940 0.93896 1.00000
Pd3 Pd 0.77182 0.22818 0.43930 1.00000
Pd4 Pd 0.22818 0.77182 0.56070 1.00000
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