AgSeBr4
Alexandria ALEXAlex-ID: agm003750436 · 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
ABC4_1334_spg15
SeBr SeBr4 AgBr
2022-04-19 01:55:45.673204
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003750436).
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 agm003750436
data_agm003750436
_cell_length_a 7.45713
_cell_length_b 7.19050
_cell_length_c 8.98218
_cell_angle_alpha 103.44422
_cell_angle_beta 104.67518
_cell_angle_gamma 113.83797
_cell_volume 394.46996
_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 0.31556 0.56556 0.13112 1.00000
Ag2 Ag 0.68444 0.43444 0.86888 1.00000
Se1 Se 0.81978 0.06978 0.13957 1.00000
Se2 Se 0.18022 0.93022 0.86043 1.00000
Br1 Br 0.28664 0.05781 0.64439 1.00000
Br2 Br 0.09371 0.80700 0.10560 1.00000
Br3 Br 0.14225 0.41342 0.35561 1.00000
Br4 Br 0.48811 0.70139 0.89440 1.00000
Br5 Br 0.71336 0.94219 0.35561 1.00000
Br6 Br 0.85775 0.58658 0.64439 1.00000
Br7 Br 0.90629 0.19300 0.89440 1.00000
Br8 Br 0.51189 0.29861 0.10560 1.00000
获取直接链接