Ag(ClF2)6
Alexandria ALEXAlex-ID: agm006116724 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_210_spg2
AgF2 Cl5F ClF3
2023-09-03 23:37:22.507811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116724).
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 agm006116724
data_agm006116724
_cell_length_a 13.13094
_cell_length_b 13.53618
_cell_length_c 6.02125
_cell_angle_alpha 74.75406
_cell_angle_beta 125.27582
_cell_angle_gamma 148.39459
_cell_volume 386.84717
_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 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.05045 0.25000 0.29795 1.00000
Cl2 Cl 0.63152 0.49094 0.84726 1.00000
Cl3 Cl 0.40528 0.86140 0.35012 1.00000
Cl4 Cl 0.94955 0.75000 0.70205 1.00000
Cl5 Cl 0.36848 0.50906 0.15274 1.00000
Cl6 Cl 0.59472 0.13860 0.64988 1.00000
F1 F 0.46564 0.26536 0.65890 1.00000
F2 F 0.12246 0.64878 0.29372 1.00000
F3 F 0.81479 0.54474 0.53700 1.00000
F4 F 0.53436 0.73464 0.34110 1.00000
F5 F 0.87754 0.35122 0.70628 1.00000
F6 F 0.18521 0.45526 0.46300 1.00000
F7 F 0.20630 0.27343 0.94187 1.00000
F8 F 0.12818 0.00460 0.88726 1.00000
F9 F 0.68659 0.07188 0.40353 1.00000
F10 F 0.79370 0.72657 0.05813 1.00000
F11 F 0.87182 0.99540 0.11274 1.00000
F12 F 0.31341 0.92812 0.59647 1.00000
Get direct link