Sm7Y2Ni3
Alexandria ALEXAlex-ID: agm101891745 · 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
A2B3C7_696_spg8
Sm3Ni YNi Sm
2025-05-19 00:02:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101891745).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm101891745
data_agm101891745
_cell_length_a 6.48857
_cell_length_b 5.79253
_cell_length_c 10.02220
_cell_angle_alpha 84.16221
_cell_angle_beta 80.74694
_cell_angle_gamma 63.81207
_cell_volume 333.42095
_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 0.66127 0.36237 0.55224 1.00000
Sm2 Sm 0.61415 0.25724 0.21140 1.00000
Sm3 Sm 0.96592 0.57238 0.26031 1.00000
Sm4 Sm 0.25653 0.89851 0.34961 1.00000
Sm5 Sm 0.85798 0.19629 0.88451 1.00000
Sm6 Sm 0.34064 0.00073 0.68209 1.00000
Sm7 Sm 0.95783 0.68340 0.63796 1.00000
Y1 Y 0.56041 0.82906 0.00293 1.00000
Y2 Y 0.24862 0.50324 0.92705 1.00000
Ni1 Ni 0.10648 0.92215 0.09725 1.00000
Ni2 Ni 0.64657 0.92012 0.44881 1.00000
Ni3 Ni 0.28361 0.35451 0.44584 1.00000
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