K7Au3F2
Alexandria ALEXAlex-ID: agm005599298 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_120_spg65
K5Au3 KF
2023-06-13 07:48:55.950139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005599298).
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 agm005599298
data_agm005599298
_cell_length_a 5.40859
_cell_length_b 5.16671
_cell_length_c 13.35658
_cell_angle_alpha 90.00000
_cell_angle_beta 101.68143
_cell_angle_gamma 90.00000
_cell_volume 365.51426
_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
K1 K 0.60182 0.00000 0.20364 1.00000
K2 K 0.20615 0.00000 0.41231 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.39818 0.00000 0.79636 1.00000
K5 K 0.89477 0.50000 0.78953 1.00000
K6 K 0.10523 0.50000 0.21047 1.00000
K7 K 0.79385 0.00000 0.58769 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.30123 0.50000 0.60246 1.00000
Au3 Au 0.69877 0.50000 0.39754 1.00000
F1 F 0.10248 0.00000 0.20497 1.00000
F2 F 0.89752 0.00000 0.79503 1.00000
Get direct link