Sn2H5F2
Alexandria ALEXAlex-ID: agm007368274 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_2141_spg2
SnH2F2 H9F Sn
2024-08-14 03:57:16.187927
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007368274).
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
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# CIF generated by HEAS from Alexandria entry agm007368274
data_agm007368274
_cell_length_a 4.43437
_cell_length_b 3.14520
_cell_length_c 10.42730
_cell_angle_alpha 104.73783
_cell_angle_beta 113.17998
_cell_angle_gamma 90.22886
_cell_volume 128.40111
_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 0.67646 0.65798 0.68779 1.00000
Sn2 Sn 0.32354 0.34202 0.31221 1.00000
H1 H 0.87749 0.85200 0.89818 1.00000
H2 H 0.12251 0.14800 0.10182 1.00000
H3 H 0.03944 0.02519 0.54078 1.00000
H4 H 0.96056 0.97481 0.45922 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
F1 F 0.21953 0.69984 0.73266 1.00000
F2 F 0.78047 0.30016 0.26734 1.00000
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