Li4Mg5Hg
Alexandria ALEXAlex-ID: agm006123760 · 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
AB4C5_439_spg12
Li2Mg2Hg Li3Mg5 Li3Hg
2023-10-11 07:47:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123760).
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 agm006123760
data_agm006123760
_cell_length_a 3.21477
_cell_length_b 9.15463
_cell_length_c 12.41668
_cell_angle_alpha 142.08133
_cell_angle_beta 97.43802
_cell_angle_gamma 90.00000
_cell_volume 219.52940
_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 0.66386 0.06549 0.32772 1.00000
Li2 Li 0.00086 0.23686 0.00173 1.00000
Li3 Li 0.33614 0.93451 0.67228 1.00000
Li4 Li 0.99914 0.76314 0.99827 1.00000
Mg1 Mg 0.16624 0.38738 0.33249 1.00000
Mg2 Mg 0.16895 0.76553 0.33791 1.00000
Mg3 Mg 0.83105 0.23447 0.66209 1.00000
Mg4 Mg 0.50000 0.50000 0.00000 1.00000
Mg5 Mg 0.83376 0.61262 0.66751 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
获取直接链接