Ag5Cl2F5
Alexandria ALEXAlex-ID: agm077650663 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_159_spg12
Ag2F3 Ag3(ClF)2
2025-01-09 09:23:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077650663).
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 agm077650663
data_agm077650663
_cell_length_a 3.73847
_cell_length_b 6.18016
_cell_length_c 9.91885
_cell_angle_alpha 72.34262
_cell_angle_beta 85.68919
_cell_angle_gamma 81.81200
_cell_volume 216.02139
_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 0.45062 0.34022 0.19688 1.00000
Ag2 Ag 0.54938 0.65978 0.80312 1.00000
Ag3 Ag 0.85448 0.20643 0.57630 1.00000
Ag4 Ag 0.14552 0.79357 0.42370 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.15149 0.49567 0.66537 1.00000
Cl2 Cl 0.84851 0.50433 0.33463 1.00000
F1 F 0.94318 0.95462 0.79272 1.00000
F2 F 0.05682 0.04538 0.20728 1.00000
F3 F 0.43090 0.73146 0.02830 1.00000
F4 F 0.56910 0.26854 0.97170 1.00000
F5 F 0.50000 0.00000 0.50000 1.00000
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