Hg2NCl
Alexandria ALEXAlex-ID: agm005804086 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_9347_spg2
HgN2 Hg HgCl
2023-07-13 08:26:59.547444
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804086).
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 agm005804086
data_agm005804086
_cell_length_a 5.35637
_cell_length_b 15.35858
_cell_length_c 17.65993
_cell_angle_alpha 25.87907
_cell_angle_beta 158.83236
_cell_angle_gamma 142.63008
_cell_volume 219.75594
_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
Hg1 Hg 0.73692 0.13269 0.00836 1.00000
Hg2 Hg 0.26308 0.86731 0.99164 1.00000
Hg3 Hg 0.35328 0.30604 0.40233 1.00000
Hg4 Hg 0.64672 0.69396 0.59767 1.00000
N1 N 0.07427 0.33301 0.02783 1.00000
N2 N 0.92573 0.66699 0.97217 1.00000
Cl1 Cl 0.82541 0.26560 0.10200 1.00000
Cl2 Cl 0.17459 0.73440 0.89800 1.00000
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