Li17Ac2Hg3
Alexandria ALEXAlex-ID: agm005572948 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C17_5_spg166
Li4Hg Li Ac
2023-06-03 17:21:32.664989
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005572948).
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 agm005572948
data_agm005572948
_cell_length_a 8.11904
_cell_length_b 8.11904
_cell_length_c 8.11904
_cell_angle_alpha 84.17947
_cell_angle_beta 84.17934
_cell_angle_gamma 84.17948
_cell_volume 527.44290
_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 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.00000 0.50000 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 1.00000 0.74085 0.25915 1.00000
Li5 Li 0.74085 0.25915 0.00000 1.00000
Li6 Li 0.25915 0.00000 0.74085 1.00000
Li7 Li 0.25915 0.74085 1.00000 1.00000
Li8 Li 0.74085 1.00000 0.25915 1.00000
Li9 Li 0.00000 0.25915 0.74085 1.00000
Li10 Li 0.18840 0.66808 0.66808 1.00000
Li11 Li 0.66808 0.66808 0.18840 1.00000
Li12 Li 0.66808 0.18840 0.66808 1.00000
Li13 Li 0.81160 0.33192 0.33192 1.00000
Li14 Li 0.33192 0.33192 0.81160 1.00000
Li15 Li 0.33192 0.81160 0.33192 1.00000
Li16 Li 0.09201 0.09201 0.09201 1.00000
Li17 Li 0.90799 0.90799 0.90799 1.00000
Ac1 Ac 0.32606 0.32606 0.32606 1.00000
Ac2 Ac 0.67394 0.67394 0.67394 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.50000 0.50000 0.00000 1.00000
Hg3 Hg 0.50000 0.00000 0.50000 1.00000
