ReH6F
Alexandria ALEXAlex-ID: agm076102469 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1233_spg2
H9F HF Re
2025-06-26 00:39:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076102469).
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 agm076102469
data_agm076102469
_cell_length_a 3.21559
_cell_length_b 4.07244
_cell_length_c 5.64405
_cell_angle_alpha 69.19787
_cell_angle_beta 69.53985
_cell_angle_gamma 89.32677
_cell_volume 64.19849
_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
Re1 Re 0.39073 0.21833 0.27866 1.00000
H1 H 0.26974 0.89699 0.58295 1.00000
H2 H 0.90381 0.37107 0.38772 1.00000
H3 H 0.89914 0.97045 0.38542 1.00000
H4 H 0.64725 0.39920 0.90947 1.00000
H5 H 0.27236 0.24147 0.58301 1.00000
H6 H 0.33988 0.38097 0.95262 1.00000
F1 F 0.52709 0.77152 0.17014 1.00000
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