Li2IF6
Alexandria ALEXAlex-ID: agm097262172 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6242_spg123
IF5 I LiF
2025-04-07 00:53:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097262172).
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 agm097262172
data_agm097262172
_cell_length_a 4.30255
_cell_length_b 4.31733
_cell_length_c 8.52977
_cell_angle_alpha 89.99039
_cell_angle_beta 89.98529
_cell_angle_gamma 89.82101
_cell_volume 158.44392
_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 0.08338 0.08372 0.74992 1.00000
Li2 Li 0.58007 0.57763 0.74994 1.00000
I1 I 0.52328 0.54727 0.25007 1.00000
F1 F 0.55541 0.54692 0.02148 1.00000
F2 F 0.55495 0.54693 0.47865 1.00000
F3 F 0.99969 0.54514 0.25005 1.00000
F4 F 0.06033 0.55167 0.74990 1.00000
F5 F 0.58477 0.04709 0.25007 1.00000
F6 F 0.55811 0.05363 0.74992 1.00000
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