Sn(HI3)2
Alexandria ALEXAlex-ID: agm005759282 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2461_spg15
H6I SnI4 I
2023-07-07 11:09:28.498886
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759282).
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 agm005759282
data_agm005759282
_cell_length_a 6.43518
_cell_length_b 12.42426
_cell_length_c 12.42425
_cell_angle_alpha 66.44820
_cell_angle_beta 74.34748
_cell_angle_gamma 74.34746
_cell_volume 861.93982
_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 0.25000 0.24741 0.75259 1.00000
Sn2 Sn 0.75000 0.75259 0.24741 1.00000
H1 H 0.83631 0.72166 0.77026 1.00000
H2 H 0.66369 0.22974 0.27834 1.00000
H3 H 0.16369 0.27834 0.22974 1.00000
H4 H 0.33631 0.77026 0.72166 1.00000
I1 I 0.13755 0.84842 0.64345 1.00000
I2 I 0.36245 0.35655 0.15158 1.00000
I3 I 0.86245 0.15158 0.35655 1.00000
I4 I 0.63755 0.64345 0.84842 1.00000
I5 I 0.90656 0.71552 0.44338 1.00000
I6 I 0.59344 0.55662 0.28448 1.00000
I7 I 0.09344 0.28448 0.55662 1.00000
I8 I 0.40656 0.44338 0.71552 1.00000
I9 I 0.07061 0.78757 0.05076 1.00000
I10 I 0.42939 0.94924 0.21243 1.00000
I11 I 0.92939 0.21243 0.94924 1.00000
I12 I 0.57061 0.05076 0.78757 1.00000
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