Ag5Br2F5
Alexandria ALEXAlex-ID: agm005662006 · 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
A2B5C5_143_spg2
Ag2BrF2 Ag2F3 AgBr
2023-06-19 00:02:39.463520
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662006).
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 agm005662006
data_agm005662006
_cell_length_a 3.77166
_cell_length_b 6.14419
_cell_length_c 10.77262
_cell_angle_alpha 104.18208
_cell_angle_beta 105.06347
_cell_angle_gamma 89.21830
_cell_volume 233.38371
_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 0.12730 0.23819 0.43079 1.00000
Ag2 Ag 0.61164 0.42970 0.83332 1.00000
Ag3 Ag 0.38836 0.57030 0.16668 1.00000
Ag4 Ag 0.87270 0.76181 0.56921 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.09909 0.09127 0.78151 1.00000
Br2 Br 0.90091 0.90873 0.21849 1.00000
F1 F 0.50000 0.00000 0.50000 1.00000
F2 F 0.82414 0.35057 0.07792 1.00000
F3 F 0.69290 0.47564 0.38348 1.00000
F4 F 0.30710 0.52436 0.61652 1.00000
F5 F 0.17586 0.64943 0.92208 1.00000
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