Sm2Ni6B
Alexandria ALEXAlex-ID: agm002257253 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2_spg225
Sm15Ni32 SmNi4B SmNi
2019-01-14 21:11:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002257253).
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 agm002257253
data_agm002257253
_cell_length_a 5.73626
_cell_length_b 5.73610
_cell_length_c 5.73547
_cell_angle_alpha 57.01090
_cell_angle_beta 57.01110
_cell_angle_gamma 57.01335
_cell_volume 124.25026
_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
Ni1 Ni 0.25511 0.76074 0.76044 1.00000
Ni2 Ni 0.76057 0.76062 0.25524 1.00000
Ni3 Ni 0.23928 0.74493 0.23956 1.00000
Ni4 Ni 0.74490 0.23925 0.23958 1.00000
Ni5 Ni 0.76072 0.25507 0.76046 1.00000
Ni6 Ni 0.23943 0.23938 0.74477 1.00000
B1 B 0.50001 0.50000 0.50001 1.00000
Sm1 Sm 0.24188 0.24200 0.24154 1.00000
Sm2 Sm 0.75812 0.75800 0.75847 1.00000
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