Sm2In3Pd
Alexandria ALEXAlex-ID: agm012224932 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_139_spg8
SmInPd SmIn3 Sm3In5
2025-04-13 17:08:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012224932).
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 agm012224932
data_agm012224932
_cell_length_a 6.01405
_cell_length_b 6.01405
_cell_length_c 7.53685
_cell_angle_alpha 52.87492
_cell_angle_beta 127.12508
_cell_angle_gamma 132.70765
_cell_volume 150.68496
_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 0.54106 0.45894 0.29380 1.00000
Sm2 Sm 0.44941 0.55059 0.69931 1.00000
In1 In 0.85406 0.14594 0.32671 1.00000
In2 In 0.82675 0.17325 0.88216 1.00000
In3 In 0.16426 0.83574 0.08575 1.00000
Pd1 Pd 0.17517 0.82483 0.71226 1.00000
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