ReAg3F8
Alexandria ALEXAlex-ID: agm005996439 · 空间群: C222 (#21)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_206_spg21
Ag3F2 ReF6
2023-09-08 01:51:30.566648
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996439).
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 agm005996439
data_agm005996439
_cell_length_a 6.35524
_cell_length_b 6.35524
_cell_length_c 7.47622
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 127.53748
_cell_volume 239.43871
_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 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.50000 0.22793 1.00000
Ag2 Ag 0.50000 0.50000 0.00000 1.00000
Ag3 Ag 0.50000 0.00000 0.77207 1.00000
F1 F 0.67288 0.32712 0.50000 1.00000
F2 F 0.68675 0.31325 0.00000 1.00000
F3 F 0.73174 0.74125 0.68503 1.00000
F4 F 0.74125 0.73174 0.31497 1.00000
F5 F 0.25875 0.26826 0.31497 1.00000
F6 F 0.26826 0.25875 0.68503 1.00000
F7 F 0.31325 0.68675 0.00000 1.00000
F8 F 0.32712 0.67288 0.50000 1.00000
获取直接链接