Zn2H7Cl
Alexandria ALEXAlex-ID: agm006201985 · 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
AB2C7_1238_spg1
Zn(HCl)2 ZnH2 H2
2024-02-07 00:58:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201985).
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 agm006201985
data_agm006201985
_cell_length_a 16.28818
_cell_length_b 15.77214
_cell_length_c 10.43843
_cell_angle_alpha 164.22148
_cell_angle_beta 17.28554
_cell_angle_gamma 169.34005
_cell_volume 132.64746
_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
H1 H 0.61168 0.34029 0.37860 1.00000
H2 H 0.52122 0.81078 0.96343 1.00000
H3 H 0.64878 0.95855 0.04888 1.00000
H4 H 0.89294 0.83339 0.95108 1.00000
H5 H 0.27636 0.76575 0.75095 1.00000
H6 H 0.48884 0.35579 0.54778 1.00000
H7 H 0.88683 0.32300 0.45011 1.00000
Zn1 Zn 0.33264 0.89185 0.69283 1.00000
Zn2 Zn 0.33837 0.44423 0.23545 1.00000
Cl1 Cl 0.23473 0.33376 0.44905 1.00000
获取直接链接