CuAuF4
Alexandria ALEXAlex-ID: agm003749554 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1025_spg141
CuAuF5 Au CuF2
2022-04-21 20:10:40.506677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003749554).
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 agm003749554
data_agm003749554
_cell_length_a 5.53050
_cell_length_b 5.45337
_cell_length_c 6.50485
_cell_angle_alpha 113.44441
_cell_angle_beta 113.83382
_cell_angle_gamma 92.87442
_cell_volume 159.35568
_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
Cu1 Cu 0.11532 0.86532 0.73064 1.00000
Cu2 Cu 0.88468 0.13468 0.26936 1.00000
Au1 Au 0.36921 0.61921 0.23842 1.00000
Au2 Au 0.63079 0.38079 0.76158 1.00000
F1 F 0.89747 0.24360 0.02428 1.00000
F2 F 0.62681 0.78068 0.02428 1.00000
F3 F 0.23564 0.40616 0.51154 1.00000
F4 F 0.76436 0.59384 0.48846 1.00000
F5 F 0.22410 0.89462 0.48846 1.00000
F6 F 0.37319 0.21932 0.97572 1.00000
F7 F 0.77590 0.10538 0.51154 1.00000
F8 F 0.10253 0.75640 0.97572 1.00000
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