Y3Ag2
Alexandria ALEXAlex-ID: agm005507680 · 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_676_spg43
YAg Y
2023-03-20 13:25:59.098549
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507680).
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 agm005507680
data_agm005507680
_cell_length_a 9.45755
_cell_length_b 8.38080
_cell_length_c 6.18658
_cell_angle_alpha 79.40500
_cell_angle_beta 60.57988
_cell_angle_gamma 40.01512
_cell_volume 257.93341
_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
Y1 Y 0.72927 0.48038 0.34296 1.00000
Y2 Y 0.44739 0.34296 0.48038 1.00000
Y3 Y 0.76962 0.52073 0.80261 1.00000
Y4 Y 0.90704 0.80261 0.52073 1.00000
Y5 Y 0.08996 0.91004 0.91004 1.00000
Y6 Y 0.33996 0.16004 0.16004 1.00000
Ag1 Ag 0.19159 0.90911 0.35751 1.00000
Ag2 Ag 0.54179 0.35751 0.90911 1.00000
Ag3 Ag 0.34089 0.05841 0.70821 1.00000
Ag4 Ag 0.89249 0.70821 0.05841 1.00000
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