AgN2F3
Alexandria ALEXAlex-ID: agm005695799 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2719_spg15
Ag2F5 Ag(NF)2 NF3
2023-08-29 20:00:26.730129
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695799).
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 agm005695799
data_agm005695799
_cell_length_a 4.02269
_cell_length_b 15.15980
_cell_length_c 4.48823
_cell_angle_alpha 82.85178
_cell_angle_beta 116.62331
_cell_angle_gamma 89.99938
_cell_volume 242.30346
_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 0.06542 0.25000 1.00000 1.00000
Ag2 Ag 0.93458 0.75000 0.00000 1.00000
N1 N 0.59366 0.47363 0.99601 1.00000
N2 N 0.40234 0.97363 0.99601 1.00000
N3 N 0.59766 0.02637 0.00399 1.00000
N4 N 0.40634 0.52637 0.00399 1.00000
F1 F 0.43458 0.75000 0.00000 1.00000
F2 F 0.56542 0.25000 1.00000 1.00000
F3 F 0.72756 0.83286 0.58980 1.00000
F4 F 0.13776 0.66714 0.41020 1.00000
F5 F 0.86224 0.33286 0.58980 1.00000
F6 F 0.27244 0.16714 0.41020 1.00000
获取直接链接