HAuF4
Alexandria ALEXAlex-ID: agm007356981 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1234_spg12
AuF3 HF
2024-04-22 12:45:34.580110
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007356981).
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 agm007356981
data_agm007356981
_cell_length_a 5.80194
_cell_length_b 6.53834
_cell_length_c 6.44623
_cell_angle_alpha 89.46088
_cell_angle_beta 107.03699
_cell_angle_gamma 119.71241
_cell_volume 200.33265
_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 0.68344 0.20923 0.83941 1.00000
H2 H 0.31656 0.79077 0.16059 1.00000
Au1 Au 0.91952 0.75920 0.37519 1.00000
Au2 Au 0.08048 0.24080 0.62481 1.00000
F1 F 0.00969 0.33177 0.87616 1.00000
F2 F 0.48083 0.12030 0.79964 1.00000
F3 F 0.70834 0.42791 0.40121 1.00000
F4 F 0.29166 0.57209 0.59879 1.00000
F5 F 0.86646 0.88148 0.63934 1.00000
F6 F 0.51917 0.87970 0.20036 1.00000
F7 F 0.13354 0.11852 0.36066 1.00000
F8 F 0.99031 0.66823 0.12384 1.00000
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