Sm12Al7Si
Alexandria ALEXAlex-ID: agm003246743 · 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
AB7C12_0_spg140
Sm2AlSi SmAl Sm
2022-01-01 13:24:53.330150
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246743).
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 agm003246743
data_agm003246743
_cell_length_a 11.47575
_cell_length_b 11.47575
_cell_length_c 11.47575
_cell_angle_alpha 117.62742
_cell_angle_beta 117.62742
_cell_angle_gamma 94.16104
_cell_volume 1103.80591
_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 0.83446 0.70037 0.26155 1.00000
Sm2 Sm 0.16554 0.29963 0.73845 1.00000
Sm3 Sm 0.43882 0.57291 0.73845 1.00000
Sm4 Sm 0.70037 0.43882 0.86591 1.00000
Sm5 Sm 0.06118 0.79963 0.13409 1.00000
Sm6 Sm 0.56118 0.42709 0.26155 1.00000
Sm7 Sm 0.29963 0.56118 0.13409 1.00000
Sm8 Sm 0.93882 0.20037 0.86591 1.00000
Sm9 Sm 0.57291 0.83446 0.13409 1.00000
Sm10 Sm 0.66554 0.92709 0.86591 1.00000
Sm11 Sm 0.42709 0.16554 0.86591 1.00000
Sm12 Sm 0.33446 0.07291 0.13409 1.00000
Sm13 Sm 0.92709 0.06118 0.26155 1.00000
Sm14 Sm 0.07291 0.93882 0.73845 1.00000
Sm15 Sm 0.79963 0.66554 0.73845 1.00000
Sm16 Sm 0.20037 0.33446 0.26155 1.00000
Sm17 Sm 0.17078 0.67078 0.84156 1.00000
Sm18 Sm 0.82922 0.32922 0.15844 1.00000
Sm19 Sm 0.67078 0.82922 0.50000 1.00000
Sm20 Sm 0.32922 0.17078 0.50000 1.00000
Sm21 Sm 0.14866 0.64866 0.50000 1.00000
Sm22 Sm 0.85134 0.35134 0.50000 1.00000
Sm23 Sm 0.64866 0.14866 0.50000 1.00000
Sm24 Sm 0.35134 0.85134 0.50000 1.00000
Al1 Al 0.38406 0.88406 0.85873 1.00000
Al2 Al 0.61594 0.11594 0.14127 1.00000
Al3 Al 0.02533 0.52533 0.14127 1.00000
Al4 Al 0.88406 0.02533 0.50000 1.00000
Al5 Al 0.47467 0.61594 0.50000 1.00000
Al6 Al 0.97467 0.47467 0.85873 1.00000
Al7 Al 0.11594 0.97467 0.50000 1.00000
Al8 Al 0.52533 0.38406 0.50000 1.00000
Al9 Al 0.50000 0.50000 0.00000 1.00000
Al10 Al 0.00000 0.00000 0.00000 1.00000
Al11 Al 0.61836 0.11836 0.73672 1.00000
Al12 Al 0.38164 0.88164 0.26328 1.00000
Al13 Al 0.11836 0.38164 0.50000 1.00000
Al14 Al 0.88164 0.61836 0.50000 1.00000
Si1 Si 0.75000 0.75000 0.00000 1.00000
Si2 Si 0.25000 0.25000 0.00000 1.00000
