Sm2CdPd5Au
Alexandria ALEXAlex-ID: agm005176309 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_231_spg140
SmCdPd2 Sm4Cd3Au10 Sm2Pd5Au CdPd
2023-01-17 18:09:12.723746
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176309).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005176309
data_agm005176309
_cell_length_a 8.49373
_cell_length_b 8.49373
_cell_length_c 8.09024
_cell_angle_alpha 121.66399
_cell_angle_beta 121.66399
_cell_angle_gamma 90.00000
_cell_volume 391.04350
_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 0.12909 0.37091 0.00000 1.00000
Sm2 Sm 0.62909 0.12909 1.00000 1.00000
Sm3 Sm 0.37091 0.87091 0.00000 1.00000
Sm4 Sm 0.87091 0.62909 0.00000 1.00000
Cd1 Cd 0.25000 0.25000 0.50000 1.00000
Cd2 Cd 0.75000 0.75000 0.50000 1.00000
Pd1 Pd 0.94283 0.44283 0.27246 1.00000
Pd2 Pd 0.67037 0.17037 0.72754 1.00000
Pd3 Pd 0.05717 0.55717 0.72754 1.00000
Pd4 Pd 0.17037 0.05717 0.72754 1.00000
Pd5 Pd 0.55717 0.67037 0.72754 1.00000
Pd6 Pd 0.82963 0.94283 0.27246 1.00000
Pd7 Pd 0.44283 0.32963 0.27246 1.00000
Pd8 Pd 0.32963 0.82963 0.27246 1.00000
Pd9 Pd 0.50000 0.50000 0.00000 1.00000
Pd10 Pd 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
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