Sm3YCo4B
Alexandria ALEXAlex-ID: agm085697271 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3D4_350_spg1
Sm5Co2 SmCo YCo Y(CoB)2
2025-02-23 00:13:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm085697271).
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}
}
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# CIF generated by HEAS from Alexandria entry agm085697271
data_agm085697271
_cell_length_a 5.41373
_cell_length_b 5.57189
_cell_length_c 6.62702
_cell_angle_alpha 67.45413
_cell_angle_beta 74.92325
_cell_angle_gamma 74.62007
_cell_volume 175.17292
_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 0.44536 0.39183 0.01181 1.00000
Sm2 Sm 0.32720 0.70582 0.42915 1.00000
Sm3 Sm 0.70453 0.05956 0.52378 1.00000
Y1 Y 0.09295 0.03677 0.90266 1.00000
Co1 Co 0.91519 0.61975 0.85748 1.00000
Co2 Co 0.87063 0.62595 0.22729 1.00000
Co3 Co 0.17377 0.24438 0.43047 1.00000
Co4 Co 0.82987 0.48689 0.60804 1.00000
B1 B 0.64048 0.82904 0.00932 1.00000
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