Au(S3F)2
Alexandria ALEXAlex-ID: agm005672839 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2235_spg15
AuS13 SF4 AuS
2023-07-07 04:04:20.588942
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672839).
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 agm005672839
data_agm005672839
_cell_length_a 10.93734
_cell_length_b 5.68915
_cell_length_c 10.93734
_cell_angle_alpha 59.49078
_cell_angle_beta 85.33690
_cell_angle_gamma 59.49077
_cell_volume 490.68096
_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 0.87436 0.75000 0.12564 1.00000
Au2 Au 0.12564 0.25000 0.87436 1.00000
S1 S 0.46883 0.51224 0.59803 1.00000
S2 S 0.40197 0.98776 0.53117 1.00000
S3 S 0.53117 0.48776 0.40197 1.00000
S4 S 0.59803 0.01224 0.46883 1.00000
S5 S 0.02836 0.03908 0.57549 1.00000
S6 S 0.42451 0.46092 0.97164 1.00000
S7 S 0.97164 0.96092 0.42451 1.00000
S8 S 0.57549 0.53908 0.02836 1.00000
S9 S 0.23905 0.69237 0.02186 1.00000
S10 S 0.97814 0.80763 0.76095 1.00000
S11 S 0.76095 0.30763 0.97814 1.00000
S12 S 0.02186 0.19237 0.23905 1.00000
F1 F 0.40641 0.89195 0.28572 1.00000
F2 F 0.71428 0.60805 0.59359 1.00000
F3 F 0.59359 0.10805 0.71428 1.00000
F4 F 0.28572 0.39195 0.40641 1.00000
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