Ag5(Cl2F)2
Alexandria ALEXAlex-ID: agm083239341 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_871_spg2
Ag3(ClF)2 AgCl
2025-02-23 10:57:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083239341).
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 agm083239341
data_agm083239341
_cell_length_a 5.92918
_cell_length_b 6.87752
_cell_length_c 6.85337
_cell_angle_alpha 99.64233
_cell_angle_beta 83.74648
_cell_angle_gamma 101.07223
_cell_volume 269.53790
_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 0.98413 0.79385 0.63468 1.00000
Ag2 Ag 0.01587 0.20615 0.36532 1.00000
Ag3 Ag 0.47271 0.89548 0.23806 1.00000
Ag4 Ag 0.52729 0.10452 0.76194 1.00000
Ag5 Ag 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.73298 0.45849 0.68110 1.00000
Cl2 Cl 0.26702 0.54151 0.31890 1.00000
Cl3 Cl 0.74908 0.17939 0.08996 1.00000
Cl4 Cl 0.25092 0.82061 0.91004 1.00000
F1 F 0.75147 0.93698 0.47368 1.00000
F2 F 0.24853 0.06302 0.52632 1.00000
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