Si2Ag3
Alexandria ALEXAlex-ID: agm005505568 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_936_spg43
Ag Si
2023-03-20 12:55:26.092317
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505568).
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 agm005505568
data_agm005505568
_cell_length_a 8.61390
_cell_length_b 6.54122
_cell_length_c 6.52358
_cell_angle_alpha 82.49605
_cell_angle_beta 48.84018
_cell_angle_gamma 48.66377
_cell_volume 175.15889
_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 0.16556 0.91259 0.41662 1.00000
Si2 Si 0.50524 0.41662 0.91259 1.00000
Si3 Si 0.33741 0.08444 0.74476 1.00000
Si4 Si 0.83338 0.74476 0.08444 1.00000
Ag1 Ag 0.80318 0.42112 0.37886 1.00000
Ag2 Ag 0.39684 0.37886 0.42112 1.00000
Ag3 Ag 0.82888 0.44682 0.85316 1.00000
Ag4 Ag 0.87114 0.85316 0.44682 1.00000
Ag5 Ag 0.12918 0.87082 0.87082 1.00000
Ag6 Ag 0.37918 0.12082 0.12082 1.00000
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