Sm11Mg9Ni4
Alexandria ALEXAlex-ID: agm005730880 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C11_1_spg65
Sm11Mg9Ni4
2023-07-11 02:53:27.989618
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005730880).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005730880
data_agm005730880
_cell_length_a 3.69668
_cell_length_b 13.40969
_cell_length_c 13.40969
_cell_angle_alpha 112.95321
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 612.10491
_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 0.00000 0.58223 0.91672 1.00000
Sm2 Sm 0.00000 0.41777 0.08328 1.00000
Sm3 Sm 0.00000 0.91672 0.58223 1.00000
Sm4 Sm 0.00000 0.08328 0.41777 1.00000
Sm5 Sm 0.00000 0.62697 0.37303 1.00000
Sm6 Sm 0.00000 0.37303 0.62697 1.00000
Sm7 Sm 0.00000 0.84352 0.15648 1.00000
Sm8 Sm 0.00000 0.15648 0.84352 1.00000
Sm9 Sm 0.00000 0.00000 0.00000 1.00000
Sm10 Sm 0.00000 0.68794 0.68794 1.00000
Sm11 Sm 0.00000 0.31206 0.31206 1.00000
Mg1 Mg 0.50000 0.63483 0.15574 1.00000
Mg2 Mg 0.50000 0.36517 0.84426 1.00000
Mg3 Mg 0.50000 0.15574 0.63483 1.00000
Mg4 Mg 0.50000 0.84426 0.36517 1.00000
Mg5 Mg 0.50000 0.78065 0.92146 1.00000
Mg6 Mg 0.50000 0.21935 0.07854 1.00000
Mg7 Mg 0.50000 0.92146 0.78065 1.00000
Mg8 Mg 0.50000 0.07854 0.21935 1.00000
Mg9 Mg 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.50000 0.54940 0.74805 1.00000
Ni2 Ni 0.50000 0.45060 0.25195 1.00000
Ni3 Ni 0.50000 0.74805 0.54940 1.00000
Ni4 Ni 0.50000 0.25195 0.45060 1.00000
