Ag(I3Br)2
Alexandria ALEXAlex-ID: agm005774850 · 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
AB2C6_1872_spg2
I2Br I AgBr
2023-07-06 13:59:00.018267
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774850).
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 agm005774850
data_agm005774850
_cell_length_a 3.61350
_cell_length_b 12.59355
_cell_length_c 11.89405
_cell_angle_alpha 115.12312
_cell_angle_beta 81.16225
_cell_angle_gamma 106.45982
_cell_volume 469.62640
_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 0.00000 0.00000 1.00000
I1 I 0.07638 0.67140 0.22792 1.00000
I2 I 0.92362 0.32860 0.77208 1.00000
I3 I 0.85344 0.70923 0.73417 1.00000
I4 I 0.03258 0.30704 0.51850 1.00000
I5 I 0.96742 0.69296 0.48150 1.00000
I6 I 0.14656 0.29077 0.26583 1.00000
Br1 Br 0.35868 0.90365 0.09163 1.00000
Br2 Br 0.64132 0.09635 0.90837 1.00000
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