Au(OF3)2
Alexandria ALEXAlex-ID: agm005771862 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3090_spg15
Au(OF3)2
2023-07-12 22:34:20.670007
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771862).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005771862
data_agm005771862
_cell_length_a 6.98943
_cell_length_b 8.72224
_cell_length_c 8.72224
_cell_angle_alpha 38.46151
_cell_angle_beta 65.12501
_cell_angle_gamma 65.12501
_cell_volume 296.10102
_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 0.25000 0.29035 0.70965 1.00000
Au2 Au 0.75000 0.70965 0.29035 1.00000
O1 O 0.14337 0.85560 0.53401 1.00000
O2 O 0.35663 0.46599 0.14440 1.00000
O3 O 0.85663 0.14440 0.46599 1.00000
O4 O 0.64337 0.53401 0.85560 1.00000
F1 F 0.55934 0.54789 0.60947 1.00000
F2 F 0.94066 0.39053 0.45211 1.00000
F3 F 0.44066 0.45211 0.39053 1.00000
F4 F 0.05934 0.60947 0.54789 1.00000
F5 F 0.64092 0.78124 0.68785 1.00000
F6 F 0.85908 0.31215 0.21876 1.00000
F7 F 0.35908 0.21876 0.31215 1.00000
F8 F 0.14092 0.68785 0.78124 1.00000
F9 F 0.43568 0.97496 0.86432 1.00000
F10 F 0.06432 0.13568 0.02504 1.00000
F11 F 0.56432 0.02504 0.13568 1.00000
F12 F 0.93568 0.86432 0.97496 1.00000
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