H2AuF6
Alexandria ALEXAlex-ID: agm005685244 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2433_spg15
H3AuF8 AuF3 HF
2023-07-07 08:41:13.439406
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685244).
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 agm005685244
data_agm005685244
_cell_length_a 5.15824
_cell_length_b 7.29035
_cell_length_c 7.29036
_cell_angle_alpha 77.41477
_cell_angle_beta 102.66035
_cell_angle_gamma 102.66035
_cell_volume 256.79928
_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 0.38854 0.32462 0.35084 1.00000
H2 H 0.11146 0.64916 0.67538 1.00000
H3 H 0.61146 0.67538 0.64916 1.00000
H4 H 0.88854 0.35084 0.32462 1.00000
Au1 Au 0.25000 0.83051 0.16949 1.00000
Au2 Au 0.75000 0.16949 0.83051 1.00000
F1 F 0.57850 0.32540 0.39278 1.00000
F2 F 0.92150 0.60722 0.67460 1.00000
F3 F 0.42150 0.67460 0.60722 1.00000
F4 F 0.07850 0.39278 0.32540 1.00000
F5 F 0.84432 0.01749 0.67965 1.00000
F6 F 0.65568 0.32035 0.98251 1.00000
F7 F 0.15568 0.98251 0.32035 1.00000
F8 F 0.34432 0.67965 0.01749 1.00000
F9 F 0.12544 0.25569 0.92500 1.00000
F10 F 0.37456 0.07500 0.74431 1.00000
F11 F 0.87456 0.74431 0.07500 1.00000
F12 F 0.62544 0.92500 0.25569 1.00000
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