SnI2
Alexandria ALEXAlex-ID: agm070990865 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_24_spg62
SnI2
2024-12-12 05:11:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070990865).
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 agm070990865
data_agm070990865
_cell_length_a 4.58147
_cell_length_b 8.26288
_cell_length_c 14.51432
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 549.45599
_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 0.75095 0.17970 0.63116 1.00000
Sn2 Sn 0.74905 0.82030 0.13116 1.00000
Sn3 Sn 0.24905 0.67970 0.86884 1.00000
Sn4 Sn 0.25095 0.32030 0.36884 1.00000
I1 I 0.24883 0.67232 0.25626 1.00000
I2 I 0.25117 0.32768 0.75626 1.00000
I3 I 0.75117 0.17232 0.24374 1.00000
I4 I 0.74883 0.82768 0.74374 1.00000
I5 I 0.75120 0.47936 0.50054 1.00000
I6 I 0.74880 0.52064 0.00054 1.00000
I7 I 0.25120 0.02064 0.49946 1.00000
I8 I 0.24880 0.97936 0.99946 1.00000
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