AuF3
Alexandria ALEXAlex-ID: agm071104597 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5676_spg1
AuF3
2025-03-13 05:32:46.369284
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071104597).
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
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# CIF generated by HEAS from Alexandria entry agm071104597
data_agm071104597
_cell_length_a 5.67338
_cell_length_b 5.48833
_cell_length_c 9.51975
_cell_angle_alpha 91.67170
_cell_angle_beta 84.90717
_cell_angle_gamma 93.02942
_cell_volume 294.74785
_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 0.58462 0.48646 0.56128 1.00000
Au2 Au 0.53265 0.09770 0.84909 1.00000
Au3 Au 0.22533 0.77350 0.31574 1.00000
Au4 Au 0.87398 0.43454 0.08329 1.00000
F1 F 0.67050 0.95926 0.00518 1.00000
F2 F 0.59577 0.50796 0.21011 1.00000
F3 F 0.85937 0.34265 0.62295 1.00000
F4 F 0.37223 0.07834 0.37748 1.00000
F5 F 0.14836 0.35631 0.95544 1.00000
F6 F 0.28362 0.62552 0.50282 1.00000
F7 F 0.77452 0.73736 0.45924 1.00000
F8 F 0.67237 0.42526 0.91648 1.00000
F9 F 0.13591 0.91049 0.14481 1.00000
F10 F 0.38608 0.23665 0.68125 1.00000
F11 F 0.40284 0.78600 0.78608 1.00000
F12 F 0.07216 0.44760 0.25082 1.00000
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