Li2Cu2F7
Alexandria ALEXAlex-ID: agm005228942 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_22_spg2
Li3CuF6 LiCu3F8
2023-05-08 23:36:44.734012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228942).
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 agm005228942
data_agm005228942
_cell_length_a 5.26877
_cell_length_b 6.63593
_cell_length_c 8.54751
_cell_angle_alpha 108.96759
_cell_angle_beta 104.21567
_cell_angle_gamma 85.06201
_cell_volume 273.96060
_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 0.66499 0.24158 0.91295 1.00000
Li2 Li 0.12636 0.01635 0.74616 1.00000
Li3 Li 0.87364 0.98365 0.25384 1.00000
Li4 Li 0.33501 0.75842 0.08705 1.00000
Cu1 Cu 0.71602 0.70998 0.81451 1.00000
Cu2 Cu 0.19384 0.47839 0.66629 1.00000
Cu3 Cu 0.80616 0.52161 0.33371 1.00000
Cu4 Cu 0.28398 0.29002 0.18549 1.00000
F1 F 0.34908 0.18889 0.95937 1.00000
F2 F 0.07717 0.61164 0.89052 1.00000
F3 F 0.56410 0.42828 0.77482 1.00000
F4 F 0.08815 0.20288 0.62028 1.00000
F5 F 0.34005 0.75705 0.70566 1.00000
F6 F 0.82222 0.97978 0.81793 1.00000
F7 F 0.82068 0.58290 0.58791 1.00000
F8 F 0.17932 0.41710 0.41209 1.00000
F9 F 0.17778 0.02022 0.18207 1.00000
F10 F 0.65995 0.24295 0.29434 1.00000
F11 F 0.91185 0.79712 0.37972 1.00000
F12 F 0.43590 0.57172 0.22518 1.00000
F13 F 0.92283 0.38836 0.10948 1.00000
F14 F 0.65092 0.81111 0.04063 1.00000
