SmZnAg2
Alexandria ALEXAlex-ID: agm005643075 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_2029_spg15
SmAg2 Sm2Zn3Ag4
2023-07-13 18:19:44.933327
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643075).
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 agm005643075
data_agm005643075
_cell_length_a 5.41530
_cell_length_b 5.39649
_cell_length_c 7.10686
_cell_angle_alpha 100.59170
_cell_angle_beta 112.39508
_cell_angle_gamma 61.15447
_cell_volume 168.19831
_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 0.12631 0.25000 0.75262 1.00000
Sm2 Sm 0.87369 0.75000 0.24738 1.00000
Zn1 Zn 0.75084 0.25000 0.00168 1.00000
Zn2 Zn 0.24916 0.75000 0.99832 1.00000
Ag1 Ag 0.75390 0.90200 0.67116 1.00000
Ag2 Ag 0.41725 0.59800 0.67116 1.00000
Ag3 Ag 0.24610 0.09800 0.32884 1.00000
Ag4 Ag 0.58275 0.40200 0.32884 1.00000
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