Ag3(ICl2)2
Alexandria ALEXAlex-ID: agm005653405 · 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
A2B3C4_747_spg12
ICl I AgCl
2023-06-26 21:11:16.451929
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653405).
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 agm005653405
data_agm005653405
_cell_length_a 8.17215
_cell_length_b 7.29570
_cell_length_c 8.63647
_cell_angle_alpha 64.98157
_cell_angle_beta 40.96528
_cell_angle_gamma 55.93962
_cell_volume 279.66923
_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 0.00000 0.50000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
I1 I 0.60153 1.00000 0.78278 1.00000
I2 I 0.39847 0.00000 0.21722 1.00000
Cl1 Cl 0.71604 0.29381 0.28404 1.00000
Cl2 Cl 0.00985 0.70619 0.28404 1.00000
Cl3 Cl 0.28396 0.70619 0.71596 1.00000
Cl4 Cl 0.99015 0.29381 0.71596 1.00000
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