SeN2O3
Alexandria ALEXAlex-ID: agm005695097 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2725_spg2
N2O SeO2
2023-08-30 04:39:47.702456
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695097).
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 agm005695097
data_agm005695097
_cell_length_a 12.94431
_cell_length_b 21.46200
_cell_length_c 6.95811
_cell_angle_alpha 134.99943
_cell_angle_beta 137.37079
_cell_angle_gamma 10.19671
_cell_volume 229.40645
_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
Se1 Se 0.91987 0.32930 0.86520 1.00000
Se2 Se 0.08014 0.67069 0.13481 1.00000
N1 N 0.36762 0.34779 0.80454 1.00000
N2 N 0.32271 0.95372 0.70544 1.00000
N3 N 0.67730 0.04627 0.29456 1.00000
N4 N 0.63237 0.65222 0.19545 1.00000
O1 O 0.56950 0.71548 0.09200 1.00000
O2 O 0.43049 0.28453 0.90799 1.00000
O3 O 0.22641 0.98665 0.80429 1.00000
O4 O 0.00737 0.71504 0.37023 1.00000
O5 O 0.99262 0.28496 0.62978 1.00000
O6 O 0.77360 0.01335 0.19571 1.00000
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