CsSeBr3
Alexandria ALEXAlex-ID: agm003145014 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_3904_spg1
Cs2SeBr6 Se
2015-10-16 07:07:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003145014).
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 agm003145014
data_agm003145014
_cell_length_a 7.78196
_cell_length_b 9.32669
_cell_length_c 8.84001
_cell_angle_alpha 111.74388
_cell_angle_beta 124.29041
_cell_angle_gamma 102.68464
_cell_volume 408.55755
_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
Cs1 Cs 0.72576 0.97231 0.25399 1.00000
Cs2 Cs 0.58878 0.50008 0.43303 1.00000
Br1 Br 0.97562 0.36656 0.27254 1.00000
Br2 Br 0.18390 0.50511 0.91649 1.00000
Br3 Br 0.48969 0.89460 0.70778 1.00000
Br4 Br 0.36833 0.08050 0.39588 1.00000
Br5 Br 0.11602 0.04459 0.81299 1.00000
Br6 Br 0.71789 0.56133 0.93599 1.00000
Se1 Se 0.37310 0.31254 0.85874 1.00000
Se2 Se 0.64899 0.20990 0.82799 1.00000
获取直接链接