Si2N2O
Alexandria ALEXAlex-ID: agm005223352 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_135_spg141
Si2N2O
2024-10-06 05:19:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223352).
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 agm005223352
data_agm005223352
_cell_length_a 12.31043
_cell_length_b 12.31043
_cell_length_c 12.31043
_cell_angle_alpha 154.21296
_cell_angle_beta 154.21296
_cell_angle_gamma 36.79014
_cell_volume 352.57858
_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 0.70692 0.95726 0.25033 1.00000
Si2 Si 0.54341 0.29308 0.25033 1.00000
Si3 Si 0.04274 0.29308 0.74967 1.00000
Si4 Si 0.04308 0.79341 0.75033 1.00000
Si5 Si 0.04308 0.29274 0.24967 1.00000
Si6 Si 0.70726 0.95692 0.75033 1.00000
Si7 Si 0.20659 0.95692 0.24967 1.00000
Si8 Si 0.70692 0.45659 0.74967 1.00000
Si9 Si 0.91887 0.41887 0.50000 1.00000
Si10 Si 0.16887 0.16887 0.00000 1.00000
Si11 Si 0.83113 0.83113 0.00000 1.00000
Si12 Si 0.58113 0.08113 0.50000 1.00000
Si13 Si 0.37500 0.62500 0.25000 1.00000
Si14 Si 0.37500 0.62500 0.75000 1.00000
Si15 Si 0.87500 0.62500 0.25000 1.00000
Si16 Si 0.37500 0.12500 0.75000 1.00000
N1 N 0.12451 0.38740 0.26289 1.00000
N2 N 0.13740 0.37451 0.76289 1.00000
N3 N 0.61161 0.37451 0.23711 1.00000
N4 N 0.62549 0.38839 0.76289 1.00000
N5 N 0.12451 0.86161 0.73711 1.00000
N6 N 0.13839 0.87549 0.26289 1.00000
N7 N 0.61260 0.87549 0.73711 1.00000
N8 N 0.62549 0.86260 0.23711 1.00000
N9 N 0.78775 0.05092 0.26317 1.00000
N10 N 0.47543 0.21225 0.26317 1.00000
N11 N 0.94908 0.21225 0.73683 1.00000
N12 N 0.96225 0.72543 0.76317 1.00000
N13 N 0.96225 0.19908 0.23683 1.00000
N14 N 0.80092 0.03775 0.76317 1.00000
N15 N 0.27457 0.03775 0.23683 1.00000
N16 N 0.78775 0.52457 0.73683 1.00000
O1 O 0.45144 0.16657 0.71513 1.00000
O2 O 0.91657 0.70144 0.21513 1.00000
O3 O 0.48632 0.70144 0.78487 1.00000
O4 O 0.29856 0.51368 0.21513 1.00000
O5 O 0.45144 0.73632 0.28487 1.00000
O6 O 0.26368 0.54856 0.71513 1.00000
O7 O 0.83343 0.54856 0.28487 1.00000
O8 O 0.29856 0.08343 0.78487 1.00000
