Sn2H5Cl2
Alexandria ALEXAlex-ID: agm007371245 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_233_spg12
Sn(HCl)2 SnH2 H2
2024-10-21 21:19:14.396381
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007371245).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007371245
data_agm007371245
_cell_length_a 6.00884
_cell_length_b 6.00884
_cell_length_c 6.46456
_cell_angle_alpha 84.24467
_cell_angle_beta 84.24467
_cell_angle_gamma 50.37758
_cell_volume 178.68043
_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 0.87712 0.87712 0.24936 1.00000
Sn2 Sn 0.12288 0.12288 0.75064 1.00000
H1 H 0.73226 0.73226 0.16187 1.00000
H2 H 0.26774 0.26774 0.83813 1.00000
H3 H 0.86893 0.86893 0.51956 1.00000
H4 H 0.13107 0.13107 0.48044 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.42937 0.42937 0.24440 1.00000
Cl2 Cl 0.57063 0.57063 0.75560 1.00000
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