AuOF
Alexandria ALEXAlex-ID: agm005643552 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_11066_spg15
AuO2F Au3F8 Au2O3
2023-06-18 14:54:04.999123
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643552).
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 agm005643552
data_agm005643552
_cell_length_a 13.05643
_cell_length_b 13.06822
_cell_length_c 8.80690
_cell_angle_alpha 142.72480
_cell_angle_beta 40.93005
_cell_angle_gamma 166.73854
_cell_volume 206.80591
_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
Au1 Au 0.76001 0.71934 0.30948 1.00000
Au2 Au 0.41561 0.95640 0.19062 1.00000
Au3 Au 0.41493 0.45561 0.69062 1.00000
Au4 Au 0.76071 0.21992 0.80927 1.00000
O1 O 0.89406 0.95983 0.03979 1.00000
O2 O 0.25608 0.82176 0.53845 1.00000
O3 O 0.28216 0.71640 0.46024 1.00000
O4 O 0.92018 0.85450 0.96155 1.00000
F1 F 0.54999 0.75335 0.52430 1.00000
F2 F 0.62533 0.92176 0.97448 1.00000
F3 F 0.94126 0.64483 0.02536 1.00000
F4 F 0.23508 0.03172 0.47584 1.00000
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