LiNF4
Alexandria ALEXAlex-ID: agm005773044 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3118_spg15
NF3 LiF
2023-07-29 02:57:43.938880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773044).
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 agm005773044
data_agm005773044
_cell_length_a 5.40691
_cell_length_b 6.61303
_cell_length_c 6.52558
_cell_angle_alpha 72.37567
_cell_angle_beta 80.38674
_cell_angle_gamma 119.44229
_cell_volume 179.08894
_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 0.74621 0.49637 0.50718 1.00000
Li2 Li 0.25377 0.50362 0.49282 1.00000
N1 N 0.64735 0.89769 0.70423 1.00000
N2 N 0.35266 0.10229 0.29577 1.00000
F1 F 0.36359 0.80002 0.85129 1.00000
F2 F 0.51589 0.58903 0.65876 1.00000
F3 F 0.21555 0.15123 0.14950 1.00000
F4 F 0.63643 0.19997 0.14872 1.00000
F5 F 0.17541 0.74811 0.34190 1.00000
F6 F 0.78447 0.84878 0.85049 1.00000
F7 F 0.48409 0.41092 0.34125 1.00000
F8 F 0.82458 0.25187 0.65808 1.00000
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