Li2GaAg6
Alexandria ALEXAlex-ID: agm005709155 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_643_spg12
LiAg3 LiGaAg2 Ag
2023-07-08 11:59:49.233251
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709155).
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 agm005709155
data_agm005709155
_cell_length_a 4.28418
_cell_length_b 4.84884
_cell_length_c 8.36589
_cell_angle_alpha 102.20017
_cell_angle_beta 90.00000
_cell_angle_gamma 116.21711
_cell_volume 151.52166
_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 0.67351 0.34702 0.72806 1.00000
Li2 Li 0.32649 0.65298 0.27194 1.00000
Ga1 Ga 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.33506 0.67013 0.94493 1.00000
Ag2 Ag 0.66494 0.32987 0.05507 1.00000
Ag3 Ag 0.99758 0.99515 0.17474 1.00000
Ag4 Ag 0.66020 0.32041 0.39845 1.00000
Ag5 Ag 0.00242 0.00485 0.82526 1.00000
Ag6 Ag 0.33980 0.67959 0.60155 1.00000
获取直接链接