Ag4N3Cl4
Alexandria ALEXAlex-ID: agm005706231 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_235_spg38
AgNCl AgCl
2023-07-02 04:51:45.860172
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706231).
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 agm005706231
data_agm005706231
_cell_length_a 9.71186
_cell_length_b 3.77686
_cell_length_c 7.57475
_cell_angle_alpha 89.99973
_cell_angle_beta 90.00120
_cell_angle_gamma 101.42115
_cell_volume 272.34243
_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 0.62828 0.91699 0.50003 1.00000
Ag2 Ag 0.78088 0.49629 0.00005 1.00000
Ag3 Ag 0.15378 0.18935 0.71522 1.00000
Ag4 Ag 0.15380 0.18936 0.28476 1.00000
N1 N 0.26969 0.74763 0.15704 1.00000
N2 N 0.26966 0.74760 0.84292 1.00000
N3 N 0.27106 0.74827 0.99998 1.00000
Cl1 Cl 0.62201 0.41393 0.72693 1.00000
Cl2 Cl 0.62196 0.41388 0.27311 1.00000
Cl3 Cl 0.05699 0.64043 0.49997 1.00000
Cl4 Cl 0.97037 0.09325 0.99999 1.00000
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