Ag3IF3
Alexandria ALEXAlex-ID: agm005994704 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_713_spg12
AgIF6 Ag2F AgI
2023-08-05 00:27:24.699321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994704).
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 agm005994704
data_agm005994704
_cell_length_a 3.86093
_cell_length_b 6.88856
_cell_length_c 11.26225
_cell_angle_alpha 93.95951
_cell_angle_beta 79.51290
_cell_angle_gamma 73.83808
_cell_volume 280.60773
_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 0.11072 0.14949 0.62236 1.00000
Ag2 Ag 0.88928 0.85051 0.37764 1.00000
Ag3 Ag 0.28346 0.22413 0.22082 1.00000
Ag4 Ag 0.71654 0.77587 0.77918 1.00000
Ag5 Ag 0.89879 0.31581 0.89786 1.00000
Ag6 Ag 0.10121 0.68419 0.10214 1.00000
I1 I 0.41540 0.45666 0.70085 1.00000
I2 I 0.58460 0.54334 0.29915 1.00000
F1 F 0.27004 0.06093 0.40354 1.00000
F2 F 0.72996 0.93907 0.59646 1.00000
F3 F 0.32883 0.32994 0.02451 1.00000
F4 F 0.67117 0.67006 0.97549 1.00000
F5 F 0.90468 0.02164 0.18128 1.00000
F6 F 0.09532 0.97836 0.81872 1.00000
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