H7Os2N
Alexandria ALEXAlex-ID: agm006206972 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_584_spg12
H9N Os H3N
2023-12-31 14:29:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206972).
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 agm006206972
data_agm006206972
_cell_length_a 4.36040
_cell_length_b 3.34261
_cell_length_c 9.97709
_cell_angle_alpha 129.43468
_cell_angle_beta 47.43677
_cell_angle_gamma 131.17580
_cell_volume 75.74098
_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 0.76592 0.77011 0.43721 1.00000
H2 H 0.77045 0.32739 0.93974 1.00000
H3 H 0.51944 0.67544 0.66477 1.00000
H4 H 0.23032 0.24321 0.24399 1.00000
H5 H 0.36575 0.83261 0.45523 1.00000
H6 H 0.59395 0.94093 0.23475 1.00000
H7 H 0.88170 0.35939 0.65457 1.00000
Os1 Os 0.34806 0.02691 0.66955 1.00000
Os2 Os 0.76918 0.57433 0.22223 1.00000
N1 N 0.98762 0.30707 0.94613 1.00000
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