SmCu5Pd
Alexandria ALEXAlex-ID: agm005772445 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_91_spg62
Cu SmPd
2023-07-14 01:46:11.908321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772445).
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 agm005772445
data_agm005772445
_cell_length_a 5.00925
_cell_length_b 8.19697
_cell_length_c 10.29051
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 422.53569
_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 0.25000 0.24068 0.93454 1.00000
Sm2 Sm 0.75000 0.25932 0.43454 1.00000
Sm3 Sm 0.25000 0.74068 0.56546 1.00000
Sm4 Sm 0.75000 0.75932 0.06546 1.00000
Cu1 Cu 0.25000 0.59333 0.01686 1.00000
Cu2 Cu 0.75000 0.90667 0.51686 1.00000
Cu3 Cu 0.25000 0.09333 0.48314 1.00000
Cu4 Cu 0.75000 0.40667 0.98314 1.00000
Cu5 Cu 0.75000 0.31368 0.75092 1.00000
Cu6 Cu 0.25000 0.18632 0.25092 1.00000
Cu7 Cu 0.75000 0.81368 0.74908 1.00000
Cu8 Cu 0.25000 0.68632 0.24908 1.00000
Cu9 Cu 0.25000 0.94545 0.10202 1.00000
Cu10 Cu 0.75000 0.55455 0.60202 1.00000
Cu11 Cu 0.25000 0.44545 0.39798 1.00000
Cu12 Cu 0.75000 0.05455 0.89798 1.00000
Cu13 Cu 0.99720 0.43426 0.18843 1.00000
Cu14 Cu 0.00280 0.06574 0.68843 1.00000
Cu15 Cu 0.50280 0.93426 0.31157 1.00000
Cu16 Cu 0.49720 0.56574 0.81157 1.00000
Cu17 Cu 0.00280 0.56574 0.81157 1.00000
Cu18 Cu 0.99720 0.93426 0.31157 1.00000
Cu19 Cu 0.49720 0.06574 0.68843 1.00000
Cu20 Cu 0.50280 0.43426 0.18843 1.00000
Pd1 Pd 0.25000 0.85860 0.85923 1.00000
Pd2 Pd 0.75000 0.64140 0.35923 1.00000
Pd3 Pd 0.25000 0.35860 0.64077 1.00000
Pd4 Pd 0.75000 0.14140 0.14077 1.00000
