Li3Ag3F8
Alexandria ALEXAlex-ID: agm005696448 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_4_spg166
Ag2F3 AgF2 LiF
2023-06-29 10:04:44.688959
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696448).
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 agm005696448
data_agm005696448
_cell_length_a 6.54648
_cell_length_b 6.54648
_cell_length_c 6.54648
_cell_angle_alpha 57.51740
_cell_angle_beta 57.51740
_cell_angle_gamma 57.51739
_cell_volume 187.05872
_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
Li1 Li 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.35835 0.35835 0.35835 1.00000
Ag2 Ag 0.64165 0.64165 0.64165 1.00000
Ag3 Ag 0.00000 0.00000 0.00000 1.00000
F1 F 0.77603 0.77603 0.77603 1.00000
F2 F 0.20966 0.76031 0.76031 1.00000
F3 F 0.76031 0.20966 0.76031 1.00000
F4 F 0.76031 0.76031 0.20966 1.00000
F5 F 0.22397 0.22397 0.22397 1.00000
F6 F 0.79034 0.23969 0.23969 1.00000
F7 F 0.23969 0.79034 0.23969 1.00000
F8 F 0.23969 0.23969 0.79034 1.00000
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