AcIn5Hg4
Alexandria ALEXAlex-ID: agm006123766 · 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_478_spg12
AcInHg2 Hg In
2023-10-11 07:31:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123766).
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 agm006123766
data_agm006123766
_cell_length_a 4.95862
_cell_length_b 7.42999
_cell_length_c 9.23862
_cell_angle_alpha 116.47248
_cell_angle_beta 74.12475
_cell_angle_gamma 89.67173
_cell_volume 289.82487
_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
Ac1 Ac 0.50000 0.00000 0.00000 1.00000
In1 In 0.32526 0.89326 0.35084 1.00000
In2 In 0.31245 0.46474 0.37532 1.00000
In3 In 0.68755 0.53526 0.62468 1.00000
In4 In 0.50000 0.50000 0.00000 1.00000
In5 In 0.67474 0.10674 0.64916 1.00000
Hg1 Hg 0.84368 0.10539 0.30863 1.00000
Hg2 Hg 0.05041 0.64959 0.90166 1.00000
Hg3 Hg 0.15632 0.89461 0.69137 1.00000
Hg4 Hg 0.94959 0.35041 0.09834 1.00000
获取直接链接