Sm2Si
Alexandria ALEXAlex-ID: agm002242538 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_36_spg12
Sm3Si2 Sm
2018-12-29 05:10:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002242538).
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 agm002242538
data_agm002242538
_cell_length_a 6.15727
_cell_length_b 5.97981
_cell_length_c 5.97981
_cell_angle_alpha 74.62957
_cell_angle_beta 59.01335
_cell_angle_gamma 59.01335
_cell_volume 161.81380
_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
Si1 Si 0.25000 0.00000 0.00000 1.00000
Si2 Si 0.75000 0.00000 0.00000 1.00000
Sm1 Sm 0.66749 0.50000 0.16456 1.00000
Sm2 Sm 0.83251 0.83544 0.50000 1.00000
Sm3 Sm 0.33251 0.50000 0.83544 1.00000
Sm4 Sm 0.16749 0.16456 0.50000 1.00000
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