NO6
Alexandria ALEXAlex-ID: agm005227566 · 空间群: P2_12_12_1 (#19)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6_74_spg19
NO6
2022-12-13 07:43:47.666216
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227566).
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 agm005227566
data_agm005227566
_cell_length_a 3.71760
_cell_length_b 8.81462
_cell_length_c 14.32983
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 469.57701
_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
N1 N 0.30776 0.76079 0.82838 1.00000
N2 N 0.80776 0.73921 0.17162 1.00000
N3 N 0.69224 0.26079 0.67162 1.00000
N4 N 0.19224 0.23921 0.32838 1.00000
O1 O 0.50598 0.64893 0.81270 1.00000
O2 O 0.00598 0.85107 0.18730 1.00000
O3 O 0.49402 0.14893 0.68730 1.00000
O4 O 0.99402 0.35107 0.31270 1.00000
O5 O 0.20815 0.84408 0.76273 1.00000
O6 O 0.70815 0.65592 0.23727 1.00000
O7 O 0.79185 0.34408 0.73727 1.00000
O8 O 0.29185 0.15592 0.26273 1.00000
O9 O 0.20756 0.78904 0.90996 1.00000
O10 O 0.70756 0.71096 0.09004 1.00000
O11 O 0.79244 0.28904 0.59004 1.00000
O12 O 0.29244 0.21096 0.40996 1.00000
O13 O 0.31305 0.60758 0.58650 1.00000
O14 O 0.81305 0.89242 0.41350 1.00000
O15 O 0.68695 0.10758 0.91350 1.00000
O16 O 0.18695 0.39242 0.08650 1.00000
O17 O 0.18760 0.43177 0.00014 1.00000
O18 O 0.68760 0.06823 0.99986 1.00000
O19 O 0.81240 0.93177 0.49986 1.00000
O20 O 0.31240 0.56823 0.50014 1.00000
O21 O 0.19172 0.32628 0.93772 1.00000
O22 O 0.69172 0.17372 0.06228 1.00000
O23 O 0.80828 0.82628 0.56228 1.00000
O24 O 0.30828 0.67372 0.43772 1.00000
