Ag3AuF12
Alexandria ALEXAlex-ID: agm079387644 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_454_spg1
Ag3AuF12
2025-02-02 02:43:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079387644).
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 agm079387644
data_agm079387644
_cell_length_a 7.04051
_cell_length_b 7.32037
_cell_length_c 7.52772
_cell_angle_alpha 89.04325
_cell_angle_beta 120.15959
_cell_angle_gamma 113.85769
_cell_volume 298.13292
_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
Ag1 Ag 0.52056 0.67210 0.33327 1.00000
Ag2 Ag 0.00759 0.53106 0.45938 1.00000
Ag3 Ag 0.52327 0.00207 0.99623 1.00000
Au1 Au 0.97509 0.14944 0.85257 1.00000
F1 F 0.31933 0.56116 0.46425 1.00000
F2 F 0.02584 0.08753 0.12040 1.00000
F3 F 0.68914 0.49392 0.45362 1.00000
F4 F 0.83752 0.85837 0.73324 1.00000
F5 F 0.11536 0.44133 0.97136 1.00000
F6 F 0.23746 0.75751 0.72947 1.00000
F7 F 0.78772 0.29865 0.19503 1.00000
F8 F 0.91818 0.20633 0.57956 1.00000
F9 F 0.38197 0.86262 0.20310 1.00000
F10 F 0.71532 0.77798 0.20639 1.00000
F11 F 0.64340 0.10889 0.77055 1.00000
F12 F 0.30225 0.19104 0.93156 1.00000
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