SmAlAg
Alexandria ALEXAlex-ID: agm017126041 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_3090_spg166
SmAlAg
2024-11-10 22:53:49.394572
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017126041).
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 agm017126041
data_agm017126041
_cell_length_a 8.84922
_cell_length_b 8.84908
_cell_length_c 7.35404
_cell_angle_alpha 65.44681
_cell_angle_beta 65.44481
_cell_angle_gamma 104.65372
_cell_volume 408.53216
_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 0.04982 0.04979 0.00564 1.00000
Sm2 Sm 0.12373 0.12373 0.43172 1.00000
Sm3 Sm 0.71653 0.38319 0.00565 1.00000
Sm4 Sm 0.38311 0.71648 0.00575 1.00000
Sm5 Sm 0.45707 0.79039 0.43180 1.00000
Sm6 Sm 0.79039 0.45707 0.43177 1.00000
Al1 Al 0.75216 0.75218 0.99533 1.00000
Al2 Al 0.75209 0.75212 0.61121 1.00000
Al3 Al 0.08550 0.41881 0.61135 1.00000
Al4 Al 0.41884 0.08549 0.61123 1.00000
Al5 Al 0.41882 0.08549 0.99550 1.00000
Al6 Al 0.08547 0.41878 0.99556 1.00000
Ag1 Ag 0.08758 0.75426 0.84721 1.00000
Ag2 Ag 0.75426 0.08757 0.42193 1.00000
Ag3 Ag 0.42088 0.42088 0.84723 1.00000
Ag4 Ag 0.42097 0.42097 0.42187 1.00000
Ag5 Ag 0.75427 0.08760 0.84718 1.00000
Ag6 Ag 0.08759 0.75427 0.42196 1.00000
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