Cs2SnS9
Alexandria ALEXAlex-ID: agm102065633 · 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
AB2C9_599_spg1
CsS3 CsSnS3 Cs2SnS14
2025-05-21 12:39:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102065633).
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 agm102065633
data_agm102065633
_cell_length_a 4.94200
_cell_length_b 9.74612
_cell_length_c 10.68439
_cell_angle_alpha 127.79999
_cell_angle_beta 84.67741
_cell_angle_gamma 94.24818
_cell_volume 404.77723
_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 0.00598 0.54974 0.23096 1.00000
Cs2 Cs 0.17749 0.32838 0.60790 1.00000
Sn1 Sn 0.04564 0.99657 0.06413 1.00000
S1 S 0.51386 0.86839 0.74839 1.00000
S2 S 0.47574 0.65138 0.53567 1.00000
S3 S 0.57248 0.49507 0.93879 1.00000
S4 S 0.47738 0.22350 0.14861 1.00000
S5 S 0.72562 0.22785 0.29711 1.00000
S6 S 0.61525 0.07492 0.72962 1.00000
S7 S 0.52099 0.73278 0.99857 1.00000
S8 S 0.62236 0.97603 0.50516 1.00000
S9 S 0.24720 0.87540 0.19508 1.00000
获取直接链接