Li3Ag2
Alexandria ALEXAlex-ID: agm005506086 · 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_588_spg43
Li8Ag5 LiAg
2023-03-20 06:54:21.796032
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506086).
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 agm005506086
data_agm005506086
_cell_length_a 8.39543
_cell_length_b 7.38882
_cell_length_c 5.34289
_cell_angle_alpha 80.77470
_cell_angle_beta 60.30985
_cell_angle_gamma 38.91545
_cell_volume 164.76433
_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
Li1 Li 0.30474 0.48390 0.71175 1.00000
Li2 Li 0.49960 0.71175 0.48390 1.00000
Li3 Li 0.76610 0.94526 0.75040 1.00000
Li4 Li 0.53825 0.75040 0.94526 1.00000
Li5 Li 0.90465 0.09535 0.09535 1.00000
Li6 Li 0.15465 0.34535 0.34535 1.00000
Ag1 Ag 0.34710 0.54659 0.16241 1.00000
Ag2 Ag 0.94390 0.16241 0.54659 1.00000
Ag3 Ag 0.70341 0.90290 0.30610 1.00000
Ag4 Ag 0.08759 0.30610 0.90290 1.00000
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