AuF3
Alexandria ALEXAlex-ID: agm071160720 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_151_spg62
AuF3
2025-01-20 18:48:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071160720).
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 agm071160720
data_agm071160720
_cell_length_a 5.06235
_cell_length_b 6.05583
_cell_length_c 8.53149
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 261.54728
_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 0.09091 0.55623 0.08010 1.00000
Au2 Au 0.90909 0.05623 0.41990 1.00000
Au3 Au 0.59091 0.94377 0.91990 1.00000
Au4 Au 0.40909 0.44377 0.58010 1.00000
F1 F 0.88832 0.04076 0.79713 1.00000
F2 F 0.11168 0.54076 0.70287 1.00000
F3 F 0.38832 0.45924 0.20287 1.00000
F4 F 0.61168 0.95924 0.29713 1.00000
F5 F 0.74001 0.35767 0.45560 1.00000
F6 F 0.75999 0.64233 0.95560 1.00000
F7 F 0.25999 0.85767 0.04440 1.00000
F8 F 0.24001 0.14233 0.54440 1.00000
F9 F 0.42176 0.22316 0.87775 1.00000
F10 F 0.92176 0.27684 0.12225 1.00000
F11 F 0.07824 0.77684 0.37775 1.00000
F12 F 0.57824 0.72316 0.62225 1.00000
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