Ag4ClF2
Alexandria ALEXAlex-ID: agm096448286 · 空间群: Cmm2 (#35)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_3680_spg2
Ag3F2 AgCl
2025-04-10 17:54:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096448286).
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 agm096448286
data_agm096448286
_cell_length_a 3.49437
_cell_length_b 5.95647
_cell_length_c 6.79268
_cell_angle_alpha 90.19439
_cell_angle_beta 104.74595
_cell_angle_gamma 90.08128
_cell_volume 136.72577
_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 0.55194 0.65511 0.60365 1.00000
Ag2 Ag 0.88028 0.65513 0.25710 1.00000
Ag3 Ag 0.04844 0.28020 0.59948 1.00000
Ag4 Ag 0.37838 0.27991 0.25485 1.00000
Cl1 Cl 0.21472 0.56911 0.92917 1.00000
F1 F 0.85489 0.02967 0.20870 1.00000
F2 F 0.57136 0.03087 0.64705 1.00000
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