Si2N2O
Alexandria ALEXAlex-ID: agm002163192 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_50_spg9
Si2N2O
2018-06-07 02:23:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002163192).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm002163192
data_agm002163192
_cell_length_a 5.18378
_cell_length_b 5.36893
_cell_length_c 5.58475
_cell_angle_alpha 117.84244
_cell_angle_beta 90.00000
_cell_angle_gamma 118.86560
_cell_volume 115.14692
_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 0.37876 0.92555 0.36704 1.00000
Si2 Si 0.54680 0.92555 0.86704 1.00000
Si3 Si 0.72008 0.58143 0.37682 1.00000
Si4 Si 0.86135 0.58143 0.87682 1.00000
O1 O 0.08175 0.90297 0.48939 1.00000
O2 O 0.82122 0.90297 0.98939 1.00000
N1 N 0.49767 0.74934 0.50081 1.00000
N2 N 0.25167 0.74934 0.00081 1.00000
N3 N 0.68406 0.34090 0.51595 1.00000
N4 N 0.65684 0.34090 0.01595 1.00000
