OsF
Alexandria ALEXAlex-ID: agm004444965 · 空间群: P6_3/m (#176)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2492_spg176
OsF5 Os
2022-05-30 04:49:42.913058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004444965).
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 agm004444965
data_agm004444965
_cell_length_a 9.33733
_cell_length_b 9.33733
_cell_length_c 2.72657
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 205.86983
_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
Os1 Os 0.00765 0.39988 0.25000 1.00000
Os2 Os 0.60777 0.00765 0.75000 1.00000
Os3 Os 0.60012 0.60777 0.25000 1.00000
Os4 Os 0.99235 0.60012 0.75000 1.00000
Os5 Os 0.39223 0.99235 0.25000 1.00000
Os6 Os 0.39988 0.39223 0.75000 1.00000
F1 F 0.84567 0.14432 0.25000 1.00000
F2 F 0.70135 0.84567 0.75000 1.00000
F3 F 0.85568 0.70135 0.25000 1.00000
F4 F 0.15433 0.85568 0.75000 1.00000
F5 F 0.29865 0.15433 0.25000 1.00000
F6 F 0.14432 0.29865 0.75000 1.00000
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