AgH6F12
Alexandria ALEXAlex-ID: agm007347771 · 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
AB6C12_664_spg2
HF8 AgF3 HF
2024-03-05 21:18:16.919613
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007347771).
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 agm007347771
data_agm007347771
_cell_length_a 4.71440
_cell_length_b 6.48082
_cell_length_c 8.91648
_cell_angle_alpha 79.53483
_cell_angle_beta 77.47651
_cell_angle_gamma 80.41461
_cell_volume 259.21771
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.45391 0.23679 0.00227 1.00000
H2 H 0.23477 0.10953 0.55469 1.00000
H3 H 0.46149 0.08248 0.34803 1.00000
H4 H 0.54609 0.76321 0.99773 1.00000
H5 H 0.76523 0.89047 0.44531 1.00000
H6 H 0.53851 0.91752 0.65197 1.00000
F1 F 0.22983 0.20657 0.07452 1.00000
F2 F 0.68815 0.25879 0.93374 1.00000
F3 F 0.34578 0.99794 0.69465 1.00000
F4 F 0.77017 0.79343 0.92548 1.00000
F5 F 0.31185 0.74121 0.06626 1.00000
F6 F 0.65422 0.00206 0.30535 1.00000
F7 F 0.64463 0.49112 0.35636 1.00000
F8 F 0.08998 0.45029 0.74318 1.00000
F9 F 0.20408 0.16906 0.44792 1.00000
F10 F 0.35537 0.50888 0.64364 1.00000
F11 F 0.91002 0.54971 0.25682 1.00000
F12 F 0.79592 0.83094 0.55208 1.00000
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