InHg5I2
Alexandria ALEXAlex-ID: agm005882011 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1210_spg1
InI2 Hg
2023-08-26 05:55:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882011).
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 agm005882011
data_agm005882011
_cell_length_a 9.53289
_cell_length_b 7.29941
_cell_length_c 9.46441
_cell_angle_alpha 135.46923
_cell_angle_beta 138.15547
_cell_angle_gamma 68.08509
_cell_volume 290.04518
_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 0.80697 0.78636 0.09923 1.00000
Hg1 Hg 0.05636 0.24183 0.32983 1.00000
Hg2 Hg 0.27163 0.85801 0.13689 1.00000
Hg3 Hg 0.63692 0.00455 0.70904 1.00000
Hg4 Hg 0.89456 0.72114 0.56988 1.00000
Hg5 Hg 0.49408 0.50446 0.95765 1.00000
I1 I 0.26691 0.78571 0.57919 1.00000
I2 I 0.79556 0.32093 0.61830 1.00000
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