Si(HSe)2
Alexandria ALEXAlex-ID: agm005891037 · 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
AB2C2_2351_spg15
H3Se SiH20 SiSe2
2023-07-09 22:56:56.433337
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005891037).
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 agm005891037
data_agm005891037
_cell_length_a 4.08130
_cell_length_b 4.08128
_cell_length_c 13.90393
_cell_angle_alpha 106.12313
_cell_angle_beta 106.12325
_cell_angle_gamma 64.27976
_cell_volume 197.11068
_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
Si1 Si 0.50727 0.49272 0.00000 1.00000
Si2 Si 0.74273 0.25728 0.50000 1.00000
H1 H 0.01502 0.26493 0.83407 1.00000
H2 H 0.51492 0.76503 0.33408 1.00000
H3 H 0.23498 0.48507 0.66593 1.00000
H4 H 0.73508 0.98497 0.16592 1.00000
Se1 Se 0.91097 0.66051 0.88795 1.00000
Se2 Se 0.91051 0.66098 0.38795 1.00000
Se3 Se 0.33903 0.08949 0.61205 1.00000
Se4 Se 0.33949 0.08902 0.11205 1.00000
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