H7(NO)2
Alexandria ALEXAlex-ID: agm003325713 · 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
A2B2C7_404_spg12
H5NO N2 H2O
2022-01-22 09:25:17.807782
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003325713).
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 agm003325713
data_agm003325713
_cell_length_a 4.80991
_cell_length_b 4.54686
_cell_length_c 4.54686
_cell_angle_alpha 84.91999
_cell_angle_beta 105.03108
_cell_angle_gamma 105.03108
_cell_volume 92.72733
_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
H1 H 0.23366 0.71820 0.99242 1.00000
H2 H 0.76634 0.00758 0.28180 1.00000
H3 H 0.76634 0.28180 0.00758 1.00000
H4 H 0.23366 0.99242 0.71820 1.00000
H5 H 0.07057 0.29600 0.29600 1.00000
H6 H 0.00000 0.00000 0.00000 1.00000
H7 H 0.92943 0.70400 0.70400 1.00000
N1 N 0.10583 0.84582 0.84582 1.00000
N2 N 0.89417 0.15418 0.15418 1.00000
O1 O 0.50000 0.38980 0.61020 1.00000
O2 O 0.50000 0.61020 0.38980 1.00000
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