Si2HN6
Alexandria ALEXAlex-ID: agm097598952 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_5479_spg2
Si2HN3 N2
2025-04-29 23:38:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097598952).
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 agm097598952
data_agm097598952
_cell_length_a 3.00979
_cell_length_b 4.67582
_cell_length_c 6.53234
_cell_angle_alpha 81.44509
_cell_angle_beta 69.46040
_cell_angle_gamma 91.96191
_cell_volume 84.75772
_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 0.81911 0.88642 0.97358 1.00000
Si2 Si 0.61727 0.29427 0.61692 1.00000
H1 H 0.43178 0.78653 0.38290 1.00000
N1 N 0.76452 0.49695 0.04571 1.00000
N2 N 0.79802 0.16769 0.32983 1.00000
N3 N 0.89847 0.44700 0.20953 1.00000
N4 N 0.14217 0.45854 0.59577 1.00000
N5 N 0.60076 0.96653 0.25559 1.00000
N6 N 0.42791 0.99606 0.84016 1.00000
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