Li4Hg4Pb3
Alexandria ALEXAlex-ID: agm005705258 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_23_spg71
LiHg Pb
2023-06-29 20:49:59.288063
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705258).
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 agm005705258
data_agm005705258
_cell_length_a 3.64432
_cell_length_b 8.54973
_cell_length_c 9.30831
_cell_angle_alpha 117.33884
_cell_angle_beta 101.28890
_cell_angle_gamma 90.00000
_cell_volume 251.29994
_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 0.75157 0.25157 0.50314 1.00000
Li2 Li 0.24843 0.74843 0.49686 1.00000
Li3 Li 0.50000 0.79200 0.00000 1.00000
Li4 Li 0.50000 0.20800 1.00000 1.00000
Hg1 Hg 0.66372 0.47121 0.32744 1.00000
Hg2 Hg 0.33628 0.14378 0.67256 1.00000
Hg3 Hg 0.33628 0.52879 0.67256 1.00000
Hg4 Hg 0.66372 0.85622 0.32744 1.00000
Pb1 Pb 0.89602 0.89602 0.79203 1.00000
Pb2 Pb 0.10398 0.10398 0.20797 1.00000
Pb3 Pb 0.00000 0.50000 0.00000 1.00000
获取直接链接