SnSbI5
Alexandria ALEXAlex-ID: agm005799080 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_788_spg11
SbI3 SnI2
2023-07-15 04:53:41.347765
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005799080).
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 agm005799080
data_agm005799080
_cell_length_a 4.29471
_cell_length_b 9.06069
_cell_length_c 16.17036
_cell_angle_alpha 89.44382
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 629.20718
_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
Sn1 Sn 0.75000 0.07480 0.12497 1.00000
Sn2 Sn 0.25000 0.92520 0.87503 1.00000
Sb1 Sb 0.25000 0.34290 0.32935 1.00000
Sb2 Sb 0.75000 0.65710 0.67065 1.00000
I1 I 0.25000 0.01754 0.29401 1.00000
I2 I 0.75000 0.16555 0.93682 1.00000
I3 I 0.75000 0.26690 0.46085 1.00000
I4 I 0.25000 0.34261 0.13158 1.00000
I5 I 0.25000 0.41278 0.70404 1.00000
I6 I 0.75000 0.58722 0.29596 1.00000
I7 I 0.75000 0.65739 0.86842 1.00000
I8 I 0.25000 0.73310 0.53915 1.00000
I9 I 0.25000 0.83445 0.06318 1.00000
I10 I 0.75000 0.98246 0.70599 1.00000
获取直接链接