Li2N2F7
Alexandria ALEXAlex-ID: agm005570720 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_873_spg15
LiNF NF3 LiF
2023-06-04 20:37:04.006164
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570720).
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 agm005570720
data_agm005570720
_cell_length_a 5.80755
_cell_length_b 5.80755
_cell_length_c 12.27904
_cell_angle_alpha 110.55945
_cell_angle_beta 110.55941
_cell_angle_gamma 84.25088
_cell_volume 362.94154
_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 0.66428 0.01083 0.60258 1.00000
Li2 Li 0.98917 0.33572 0.89742 1.00000
Li3 Li 0.01083 0.66428 0.10258 1.00000
Li4 Li 0.33572 0.98917 0.39742 1.00000
N1 N 0.23437 0.13576 0.15473 1.00000
N2 N 0.13576 0.23437 0.65473 1.00000
N3 N 0.86424 0.76563 0.34527 1.00000
N4 N 0.76563 0.86424 0.84527 1.00000
F1 F 0.01968 0.60833 0.39599 1.00000
F2 F 0.19018 0.38555 0.05797 1.00000
F3 F 0.38855 0.28357 0.26573 1.00000
F4 F 0.09396 0.90604 0.25000 1.00000
F5 F 0.60833 0.01968 0.89599 1.00000
F6 F 0.38555 0.19019 0.55797 1.00000
F7 F 0.28357 0.38855 0.76573 1.00000
F8 F 0.71643 0.61145 0.23427 1.00000
F9 F 0.61445 0.80981 0.44203 1.00000
F10 F 0.39167 0.98032 0.10401 1.00000
F11 F 0.90604 0.09396 0.75000 1.00000
F12 F 0.61145 0.71643 0.73427 1.00000
F13 F 0.80981 0.61445 0.94203 1.00000
F14 F 0.98032 0.39167 0.60401 1.00000
