Ag(SeF4)2
Alexandria ALEXAlex-ID: agm005996598 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1459_spg12
Ag SeF4
2023-10-17 06:42:57.737514
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996598).
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
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# CIF generated by HEAS from Alexandria entry agm005996598
data_agm005996598
_cell_length_a 4.51343
_cell_length_b 7.07985
_cell_length_c 6.81149
_cell_angle_alpha 121.49628
_cell_angle_beta 90.12095
_cell_angle_gamma 90.20665
_cell_volume 185.58732
_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
Se1 Se 0.25666 0.38431 0.76733 1.00000
Se2 Se 0.74334 0.61569 0.23265 1.00000
Ag1 Ag 0.00000 0.00000 0.99999 1.00000
F1 F 0.20903 0.60339 0.20866 1.00000
F2 F 0.79097 0.39661 0.79132 1.00000
F3 F 0.75437 0.88635 0.23885 1.00000
F4 F 0.25855 0.23472 0.46568 1.00000
F5 F 0.24900 0.65219 0.76613 1.00000
F6 F 0.24563 0.11365 0.76114 1.00000
F7 F 0.74145 0.76528 0.53431 1.00000
F8 F 0.75100 0.34781 0.23386 1.00000
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