Hg2H7F
Alexandria ALEXAlex-ID: agm006196643 · 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_1187_spg1
H9F Hg HF
2024-02-07 09:25:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006196643).
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 agm006196643
data_agm006196643
_cell_length_a 3.71380
_cell_length_b 5.51334
_cell_length_c 8.28768
_cell_angle_alpha 92.84993
_cell_angle_beta 89.93264
_cell_angle_gamma 95.03942
_cell_volume 168.82824
_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 0.91929 0.80014 0.36587 1.00000
H2 H 0.92099 0.81230 0.82664 1.00000
H3 H 0.94757 0.23181 0.60443 1.00000
H4 H 0.93214 0.37645 0.09438 1.00000
H5 H 0.42057 0.80624 0.59647 1.00000
H6 H 0.87391 0.24240 0.09744 1.00000
H7 H 0.95963 0.36708 0.59442 1.00000
Hg1 Hg 0.42091 0.81125 0.82219 1.00000
Hg2 Hg 0.41945 0.80168 0.37023 1.00000
F1 F 0.41791 0.80803 0.09609 1.00000
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