Sm2Pd3Au4
Alexandria ALEXAlex-ID: agm005654898 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_847_spg12
SmPdAu4 Sm14Au51 Sm2Pd5Au
2023-06-27 21:22:04.363141
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654898).
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 agm005654898
data_agm005654898
_cell_length_a 4.31068
_cell_length_b 5.36817
_cell_length_c 8.65897
_cell_angle_alpha 75.01530
_cell_angle_beta 75.58673
_cell_angle_gamma 66.32776
_cell_volume 174.87201
_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 0.32462 0.11774 0.23301 1.00000
Sm2 Sm 0.67538 0.88226 0.76699 1.00000
Pd1 Pd 0.34291 0.76019 0.55399 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
Pd3 Pd 0.65709 0.23981 0.44601 1.00000
Au1 Au 0.66256 0.56118 0.11371 1.00000
Au2 Au 0.01221 0.31670 0.65889 1.00000
Au3 Au 0.98779 0.68330 0.34111 1.00000
Au4 Au 0.33744 0.43882 0.88629 1.00000
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