Sm3Dy5Cu
Alexandria ALEXAlex-ID: agm072237372 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1267_spg8
Sm3Dy5 DyCu Sm
2024-09-24 06:01:32.171637
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072237372).
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 agm072237372
data_agm072237372
_cell_length_a 6.36277
_cell_length_b 6.69191
_cell_length_c 7.65156
_cell_angle_alpha 107.43929
_cell_angle_beta 81.90147
_cell_angle_gamma 117.90703
_cell_volume 274.67515
_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 0.90067 0.58687 0.36415 1.00000
Sm2 Sm 0.51133 0.01642 0.52907 1.00000
Sm3 Sm 0.32805 0.42094 0.46975 1.00000
Dy1 Dy 0.99490 0.06453 0.73851 1.00000
Dy2 Dy 0.34464 0.54639 0.07985 1.00000
Dy3 Dy 0.93232 0.56630 0.82851 1.00000
Dy4 Dy 0.91291 0.00586 0.18471 1.00000
Dy5 Dy 0.49327 0.09057 0.01990 1.00000
Cu1 Cu 0.58160 0.70299 0.78531 1.00000
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