Sn2H6Pd
Alexandria ALEXAlex-ID: agm097559360 · 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
AB2C6_587_spg99
SnH2 H2 SnPd
2025-04-29 17:46:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097559360).
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 agm097559360
data_agm097559360
_cell_length_a 3.82303
_cell_length_b 3.82389
_cell_length_c 7.04561
_cell_angle_alpha 90.24327
_cell_angle_beta 90.26057
_cell_angle_gamma 86.81119
_cell_volume 102.83721
_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 0.14207 0.14297 0.04692 1.00000
Sn2 Sn 0.85524 0.85627 0.44986 1.00000
H1 H 0.52088 0.52048 0.99237 1.00000
H2 H 0.48059 0.48006 0.50925 1.00000
H3 H 0.50169 0.00021 0.75076 1.00000
H4 H 0.49819 0.99912 0.24991 1.00000
H5 H 0.00149 0.50101 0.75075 1.00000
H6 H 0.99866 0.49927 0.24931 1.00000
Pd1 Pd 0.50119 0.50060 0.75088 1.00000
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