Cs2RbSBr
Alexandria ALEXAlex-ID: agm005014674 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1597_spg63
Cs2S CsBr Rb2S
2022-08-05 01:53:47.868953
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014674).
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 agm005014674
data_agm005014674
_cell_length_a 5.01133
_cell_length_b 8.52364
_cell_length_c 11.74398
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.09559
_cell_volume 479.47728
_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 0.63376 0.26751 0.55615 1.00000
Cs2 Cs 0.36624 0.73249 0.44385 1.00000
Cs3 Cs 0.36624 0.73249 0.05615 1.00000
Cs4 Cs 0.63376 0.26751 0.94385 1.00000
Rb1 Rb 0.91773 0.83546 0.75000 1.00000
Rb2 Rb 0.08227 0.16454 0.25000 1.00000
S1 S 0.00000 0.00000 0.50000 1.00000
S2 S 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.26657 0.53314 0.75000 1.00000
Br2 Br 0.73343 0.46686 0.25000 1.00000
获取直接链接