Sm3In2Pd7
Alexandria ALEXAlex-ID: agm024611069 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
Sm8InPd24 Sm2InPd2 SmInPd2
2025-05-17 08:32:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024611069).
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 agm024611069
data_agm024611069
_cell_length_a 9.34715
_cell_length_b 9.34715
_cell_length_c 9.34715
_cell_angle_alpha 35.11838
_cell_angle_beta 35.11838
_cell_angle_gamma 35.11838
_cell_volume 241.35625
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.13916 0.13916 0.13916 1.00000
Sm3 Sm 0.86084 0.86084 0.86084 1.00000
In1 In 0.33353 0.33353 0.33353 1.00000
In2 In 0.66647 0.66647 0.66647 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.08137 0.58691 0.58691 1.00000
Pd3 Pd 0.58691 0.58691 0.08137 1.00000
Pd4 Pd 0.58691 0.08137 0.58691 1.00000
Pd5 Pd 0.91863 0.41309 0.41309 1.00000
Pd6 Pd 0.41309 0.91863 0.41309 1.00000
Pd7 Pd 0.41309 0.41309 0.91863 1.00000
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