H7Au2F
Alexandria ALEXAlex-ID: agm006196232 · 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_1597_spg1
H9F Au HF
2024-02-07 09:08:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006196232).
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 agm006196232
data_agm006196232
_cell_length_a 2.77065
_cell_length_b 7.94795
_cell_length_c 8.42379
_cell_angle_alpha 58.81626
_cell_angle_beta 83.12257
_cell_angle_gamma 71.04834
_cell_volume 149.82593
_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 0.61209 0.57724 0.45539 1.00000
H2 H 0.38881 0.83410 0.09057 1.00000
H3 H 0.56934 0.33495 0.16701 1.00000
H4 H 0.41353 0.73984 0.74750 1.00000
H5 H 0.81054 0.51185 0.42400 1.00000
H6 H 0.21876 0.32673 0.79378 1.00000
H7 H 0.46757 0.24296 0.83718 1.00000
Au1 Au 0.83280 0.87961 0.61149 1.00000
Au2 Au 0.14977 0.19547 0.30315 1.00000
F1 F 0.03679 0.85725 0.06993 1.00000
获取直接链接