OsF6
Alexandria ALEXAlex-ID: agm070945367 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6_396_spg212
OsF6
2024-08-26 00:02:35.521348
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070945367).
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 agm070945367
data_agm070945367
_cell_length_a 8.31484
_cell_length_b 8.31484
_cell_length_c 8.31484
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 574.85964
_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 0.12500 0.12500 0.12500 1.00000
Os2 Os 0.37500 0.87500 0.62500 1.00000
Os3 Os 0.87500 0.62500 0.37500 1.00000
Os4 Os 0.62500 0.37500 0.87500 1.00000
F1 F 0.12551 0.90011 0.12379 1.00000
F2 F 0.37449 0.09989 0.62379 1.00000
F3 F 0.87449 0.40011 0.37621 1.00000
F4 F 0.62551 0.59989 0.87621 1.00000
F5 F 0.12379 0.12551 0.90011 1.00000
F6 F 0.62379 0.37449 0.09989 1.00000
F7 F 0.37621 0.87449 0.40011 1.00000
F8 F 0.87621 0.62551 0.59989 1.00000
F9 F 0.90011 0.12379 0.12551 1.00000
F10 F 0.09989 0.62379 0.37449 1.00000
F11 F 0.40011 0.37621 0.87449 1.00000
F12 F 0.59989 0.87621 0.62551 1.00000
F13 F 0.15011 0.87551 0.62621 1.00000
F14 F 0.34989 0.12449 0.12621 1.00000
F15 F 0.65011 0.62449 0.37379 1.00000
F16 F 0.84989 0.37551 0.87379 1.00000
F17 F 0.37551 0.87379 0.84989 1.00000
F18 F 0.62449 0.37379 0.65011 1.00000
F19 F 0.12449 0.12621 0.34989 1.00000
F20 F 0.87551 0.62621 0.15011 1.00000
F21 F 0.37379 0.65011 0.62449 1.00000
F22 F 0.87379 0.84989 0.37551 1.00000
F23 F 0.62621 0.15011 0.87551 1.00000
F24 F 0.12621 0.34989 0.12449 1.00000
