Sm3(CuPd2)2
Alexandria ALEXAlex-ID: agm005606529 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Sm3Pd4 Cu
2023-06-26 23:11:17.427662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606529).
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 agm005606529
data_agm005606529
_cell_length_a 4.46013
_cell_length_b 5.67975
_cell_length_c 8.49737
_cell_angle_alpha 70.59046
_cell_angle_beta 74.78499
_cell_angle_gamma 66.88145
_cell_volume 184.54799
_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 0.35798 0.59310 0.69093 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.64202 0.40690 0.30907 1.00000
Cu1 Cu 0.33312 0.99391 0.33986 1.00000
Cu2 Cu 0.66688 0.00609 0.66014 1.00000
Pd1 Pd 0.28564 0.36047 0.06825 1.00000
Pd2 Pd 0.71436 0.63953 0.93175 1.00000
Pd3 Pd 0.08039 0.24081 0.59840 1.00000
Pd4 Pd 0.91961 0.75919 0.40160 1.00000
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