SnAu4
Alexandria ALEXAlex-ID: agm005543971 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_112_spg74
SnAu Au
2023-05-29 02:37:16.097699
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543971).
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 agm005543971
data_agm005543971
_cell_length_a 4.55781
_cell_length_b 5.82736
_cell_length_c 8.23984
_cell_angle_alpha 110.70818
_cell_angle_beta 106.05567
_cell_angle_gamma 90.00000
_cell_volume 195.55829
_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
Sn1 Sn 0.89659 0.14659 0.79319 1.00000
Sn2 Sn 0.10341 0.85341 0.20681 1.00000
Au1 Au 0.11201 0.36201 0.22402 1.00000
Au2 Au 0.88799 0.63799 0.77598 1.00000
Au3 Au 0.50000 0.00000 0.00000 1.00000
Au4 Au 0.50000 0.50000 0.00000 1.00000
Au5 Au 0.69315 0.19500 0.38630 1.00000
Au6 Au 0.30685 0.80500 0.61370 1.00000
Au7 Au 0.30685 0.30870 0.61370 1.00000
Au8 Au 0.69315 0.69130 0.38630 1.00000
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