Ag5Ir2F12
Alexandria ALEXAlex-ID: agm005652996 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_45_spg12
Ag2IrF6 Ag2F Ir
2023-06-23 07:36:36.926679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652996).
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 agm005652996
data_agm005652996
_cell_length_a 6.39613
_cell_length_b 7.00572
_cell_length_c 8.16264
_cell_angle_alpha 78.09046
_cell_angle_beta 90.00000
_cell_angle_gamma 117.16109
_cell_volume 316.55508
_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 0.70365 0.40730 0.62221 1.00000
Ag2 Ag 0.71629 0.43258 0.26075 1.00000
Ag3 Ag 0.00000 0.00000 0.50000 1.00000
Ag4 Ag 0.28371 0.56742 0.73925 1.00000
Ag5 Ag 0.29635 0.59270 0.37779 1.00000
Ir1 Ir 0.24973 0.00000 0.00000 1.00000
Ir2 Ir 0.75027 0.00000 0.00000 1.00000
F1 F 0.02681 0.05363 0.14171 1.00000
F2 F 0.90216 0.31903 0.87530 1.00000
F3 F 0.41687 0.31903 0.87530 1.00000
F4 F 0.89424 0.26590 0.44569 1.00000
F5 F 0.37166 0.26590 0.44569 1.00000
F6 F 0.47367 0.94735 0.85713 1.00000
F7 F 0.52633 0.05265 0.14287 1.00000
F8 F 0.10576 0.73410 0.55431 1.00000
F9 F 0.62834 0.73410 0.55431 1.00000
F10 F 0.09784 0.68097 0.12470 1.00000
F11 F 0.58313 0.68097 0.12470 1.00000
F12 F 0.97319 0.94637 0.85829 1.00000
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