Cs2AgIF6
Alexandria ALEXAlex-ID: agm077761150 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2247_spg1
Cs2IF7 AgI CsF Ag
2025-01-09 10:38:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077761150).
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
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# CIF generated by HEAS from Alexandria entry agm077761150
data_agm077761150
_cell_length_a 5.52449
_cell_length_b 7.48805
_cell_length_c 7.66499
_cell_angle_alpha 70.90287
_cell_angle_beta 68.49381
_cell_angle_gamma 81.51746
_cell_volume 278.63370
_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
Cs1 Cs 0.67131 0.17595 0.59109 1.00000
Cs2 Cs 0.32869 0.82405 0.40891 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
I1 I 0.50000 0.50000 0.00000 1.00000
F1 F 0.58653 0.55371 0.70334 1.00000
F2 F 0.41347 0.44629 0.29666 1.00000
F3 F 0.85467 0.95918 0.30322 1.00000
F4 F 0.14533 0.04082 0.69678 1.00000
F5 F 0.43531 0.22424 0.03901 1.00000
F6 F 0.56469 0.77576 0.96099 1.00000
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