AgH2F6
Alexandria ALEXAlex-ID: agm005685230 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2431_spg15
HF8 AgF3 HF
2023-07-07 10:59:10.543518
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685230).
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 agm005685230
data_agm005685230
_cell_length_a 19.69185
_cell_length_b 5.57335
_cell_length_c 5.57335
_cell_angle_alpha 109.30476
_cell_angle_beta 121.04005
_cell_angle_gamma 121.04006
_cell_volume 261.76980
_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
Ag1 Ag 0.25000 0.93383 0.06617 1.00000
Ag2 Ag 0.75000 0.06617 0.93383 1.00000
H1 H 0.24992 0.43392 0.06483 1.00000
H2 H 0.25008 0.93517 0.56608 1.00000
H3 H 0.75008 0.56608 0.93517 1.00000
H4 H 0.74992 0.06483 0.43392 1.00000
F1 F 0.42920 0.58735 0.71947 1.00000
F2 F 0.07080 0.28053 0.41265 1.00000
F3 F 0.57080 0.41265 0.28053 1.00000
F4 F 0.92920 0.71947 0.58735 1.00000
F5 F 0.83586 0.27477 0.81023 1.00000
F6 F 0.66414 0.18977 0.72523 1.00000
F7 F 0.16414 0.72523 0.18977 1.00000
F8 F 0.33586 0.81023 0.27477 1.00000
F9 F 0.16296 0.05121 0.85100 1.00000
F10 F 0.33704 0.14900 0.94879 1.00000
F11 F 0.83704 0.94879 0.14900 1.00000
F12 F 0.66296 0.85100 0.05121 1.00000
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