Cu3AgF7
Alexandria ALEXAlex-ID: agm005961932 · 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
AB3C7_13_spg8
CuAgF3 CuF2
2023-08-11 21:54:31.022831
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961932).
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 agm005961932
data_agm005961932
_cell_length_a 5.80541
_cell_length_b 5.46380
_cell_length_c 5.46379
_cell_angle_alpha 81.11510
_cell_angle_beta 112.54303
_cell_angle_gamma 112.54302
_cell_volume 147.83087
_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
Cu1 Cu 0.00000 0.78137 0.21863 1.00000
Cu2 Cu 0.50000 0.00000 0.00000 1.00000
Cu3 Cu 1.00000 0.21863 0.78137 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
F1 F 0.24624 0.17256 0.17256 1.00000
F2 F 0.24078 0.10621 0.70063 1.00000
F3 F 0.75922 0.29937 0.89379 1.00000
F4 F 0.24078 0.70063 0.10621 1.00000
F5 F 0.00000 0.50000 0.50000 1.00000
F6 F 0.75922 0.89379 0.29937 1.00000
F7 F 0.75376 0.82744 0.82744 1.00000
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