In8Hg3
Alexandria ALEXAlex-ID: agm007802912 · 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
A3B8_7_spg12
Hg In
2024-05-14 05:41:37.587281
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007802912).
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 agm007802912
data_agm007802912
_cell_length_a 6.05579
_cell_length_b 6.05579
_cell_length_c 14.43022
_cell_angle_alpha 80.63078
_cell_angle_beta 80.63078
_cell_angle_gamma 34.19538
_cell_volume 293.07008
_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
In1 In 0.27670 0.27670 0.59053 1.00000
In2 In 0.72330 0.72330 0.40947 1.00000
In3 In 0.45631 0.45631 0.31880 1.00000
In4 In 0.54369 0.54369 0.68120 1.00000
In5 In 0.18917 0.18917 0.22182 1.00000
In6 In 0.81083 0.81083 0.77818 1.00000
In7 In 0.36624 0.36624 0.96023 1.00000
In8 In 0.63376 0.63376 0.03977 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Hg2 Hg 0.08575 0.08575 0.86089 1.00000
Hg3 Hg 0.91425 0.91425 0.13911 1.00000
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