KAuF3
Alexandria ALEXAlex-ID: agm005758355 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1020_spg63
KAuF4 Au KF
2023-07-03 20:48:51.439624
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758355).
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 agm005758355
data_agm005758355
_cell_length_a 3.87639
_cell_length_b 6.46591
_cell_length_c 8.51615
_cell_angle_alpha 90.00002
_cell_angle_beta 89.99998
_cell_angle_gamma 106.30416
_cell_volume 204.86800
_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 0.26371 0.52803 0.75000 1.00000
K2 K 0.73629 0.47197 0.25000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.00000 0.00000 0.50000 1.00000
F1 F 0.83481 0.68140 0.55290 1.00000
F2 F 0.16519 0.31860 0.44710 1.00000
F3 F 0.16519 0.31860 0.05290 1.00000
F4 F 0.83481 0.68140 0.94710 1.00000
F5 F 0.03483 0.07311 0.75000 1.00000
F6 F 0.96517 0.92689 0.25000 1.00000
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