Li6CdAg2
Alexandria ALEXAlex-ID: agm003483583 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_650_spg65
Li8Ag5 Li2Cd Li3Ag
2022-02-28 11:03:04.952794
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003483583).
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 agm003483583
data_agm003483583
_cell_length_a 2.83889
_cell_length_b 7.87685
_cell_length_c 7.87685
_cell_angle_alpha 59.91144
_cell_angle_beta 88.27812
_cell_angle_gamma 88.27812
_cell_volume 152.31222
_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 0.48253 0.99996 0.33764 1.00000
Li2 Li 0.51752 0.00004 0.66236 1.00000
Li3 Li 0.51752 0.66236 0.00004 1.00000
Li4 Li 0.49996 0.33738 0.66262 1.00000
Li5 Li 0.49996 0.66262 0.33738 1.00000
Li6 Li 0.48253 0.33764 0.99996 1.00000
Cd1 Cd 0.00001 0.00000 0.00000 1.00000
Ag1 Ag 0.00027 0.33361 0.33361 1.00000
Ag2 Ag 0.99971 0.66639 0.66639 1.00000
